 Entering Gaussian System, Link 0=/public3/home/sc70848/scripts/g16/g16
 Input=cd.gjf
 Output=cd.log
 Initial command:
 /public3/home/sc70848/scripts/g16/l1.exe "/public3/home/sc70848/scripts/tmp/Gau-5906.inp" -scrdir="/public3/home/sc70848/scripts/tmp/"
 Entering Link 1 = /public3/home/sc70848/scripts/g16/l1.exe PID=      5907.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                21-Jun-2022 
 ******************************************
 %nprocshared=64
 Will use up to   64 processors via shared memory.
 %mem=210GB
 %chk=cd.chk
 ---------------------------------------------
 # opt freq b3lyp/6-31g(d,p) geom=connectivity
 ---------------------------------------------
 1/18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------------
 Title Card Required
 -------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -3.7709    2.742    -0.5671 
 C                    -3.7472    1.4068   -0.6253 
 C                    -2.7177    0.5612   -0.6215 
 C                    -1.4816    1.1046   -0.7708 
 C                    -1.4556    2.4276   -0.612 
 C                    -2.527     3.2141   -0.4775 
 C                    -2.7994   -0.7635   -0.6442 
 C                    -1.6379   -1.4825   -0.8089 
 C                    -0.3777   -1.0353   -0.8217 
 C                    -0.3942    0.3485   -0.8836 
 C                    -3.9388   -1.4643   -0.6189 
 C                    -4.1126   -2.7845   -0.7479 
 C                    -2.9853   -3.3929   -1.1114 
 C                    -1.7401   -2.8002   -1.1574 
 N                     0.8347   -1.5779   -0.7279 
 C                     1.9135   -0.8558   -0.9267 
 C                     1.7458    0.4317   -1.0717 
 N                     0.6442    0.999    -1.0247 
 C                     3.1584   -1.2962   -1.2469 
 C                     4.2698   -0.5375   -1.3121 
 C                     4.1127    0.7906   -1.3387 
 C                     2.817     1.1974   -1.3088 
 N                    -4.8519    3.4686   -0.6466 
 N                    -5.1419   -3.5406   -0.6401 
 N                     5.2057    1.5086   -1.436 
 C                    -5.1616   -4.7915   -0.1732 
 C                    -6.4577   -5.2444   -0.1706 
 C                    -7.183    -4.2308   -0.6554 
 C                    -6.3361   -3.2532   -0.9294 
 C                    -5.0868    4.6589   -0.1631 
 C                    -6.2469    5.1692   -0.3981 
 C                    -6.8454    4.2694   -1.174 
 C                    -5.9449    3.2497   -1.2965 
 C                     5.2739    2.7165   -1.0612 
 C                     6.4669    3.2313   -1.3048 
 C                     7.1343    2.2599   -1.8713 
 C                     6.3485    1.1749   -1.9246 
 C                    -8.4846   -4.1734   -0.9993 
 C                    -8.8921   -3.0747   -1.5439 
 C                    -8.1365   -1.9587   -1.8027 
 C                    -6.8599   -2.1712   -1.5226 
 C                    -4.3154   -5.6433    0.3785 
 C                    -4.6691   -6.856     0.8022 
 C                    -5.9778   -7.207     0.8058 
 C                    -6.8772   -6.3968    0.2542 
 C                    -8.0229    4.2708   -1.8144 
 C                    -8.2999    3.2955   -2.7508 
 C                    -7.3549    2.3332   -2.9033 
 C                    -6.2463    2.2812   -2.1776 
 C                    -4.3537    5.3914    0.6784 
 C                    -4.718     6.6408    0.9967 
 C                    -5.865     7.1843    0.6209 
 C                    -6.6967    6.3932   -0.0486 
 C                     8.4063    2.1458   -2.2947 
 C                     8.9576    1.0559   -2.7649 
 C                     8.1758    0.0082   -2.9464 
 C                     6.8888    0.0672   -2.5461 
 C                     4.4574    3.4444   -0.2799 
 C                     4.8836    4.645     0.2329 
 C                     6.0839    5.0601   -0.1845 
 C                     6.8875    4.4842   -1.0783 
 O                    -0.0944   -3.7823    0.7039 
 P                     1.0106   -3.2384   -0.133 
 O                     2.4295   -3.4749    0.7487 
 O                     1.0512   -4.6044   -1.1937 
 C                     2.3499   -3.9843    2.0469 
 C                     3.5214   -3.5374    2.8396 
 C                     2.2542   -4.9491   -1.878 
 C                     1.8548   -6.0439   -2.8373 
 H                    -4.7796    1.0044   -0.4092 
 H                    -0.5119    3.0367   -0.6237 
 H                    -2.2138    4.3201   -0.4463 
 H                    -4.82     -0.919    -0.4059 
 H                    -3.017    -4.5021   -1.4069 
 H                    -1.0828   -3.5442   -1.6041 
 H                     3.3976   -2.3667   -1.146 
 H                     5.1247   -1.1169   -1.2442 
 H                     2.761     2.2232   -1.4617 
 H                    -9.1906   -4.9726   -0.7881 
 H                    -9.9926   -2.9885   -1.77 
 H                    -8.5622   -0.972    -2.2077 
 H                    -6.3276   -1.2152   -1.6125 
 H                    -3.2038   -5.2856    0.5497 
 H                    -3.8135   -7.47      1.1378 
 H                    -6.2172   -8.2068    1.1897 
 H                    -7.9025   -6.7624    0.1769 
 H                    -8.8082    5.1249   -1.7238 
 H                    -9.2825    3.3514   -3.2741 
 H                    -7.5788    1.4742   -3.6083 
 H                    -5.484     1.4957   -2.4351 
 H                    -3.3878    5.1041    1.2186 
 H                    -4.1751    7.3444    1.6326 
 H                    -6.1075    8.2068    0.8191 
 H                    -7.7071    6.6954   -0.3198 
 H                     9.0959    3.0325   -2.4167 
 H                     9.9926    0.9468   -3.1603 
 H                     8.5143   -0.9041   -3.5049 
 H                     6.275    -0.8353   -2.806 
 H                     3.5173    3.1041    0.1403 
 H                     4.271     5.252     0.8777 
 H                     6.429     6.0045    0.1923 
 H                     7.8771    4.9264   -1.3349 
 H                     1.4037   -3.5343    2.5326 
 H                     2.274    -5.1209    2.0397 
 H                     3.612    -4.0856    3.7697 
 H                     4.4842   -3.6752    2.1808 
 H                     3.4247   -2.4305    3.0236 
 H                     2.4923   -4.0522   -2.4711 
 H                     3.0349   -5.138    -1.0967 
 H                     2.6973   -6.7327   -3.1372 
 H                     1.1234   -6.6771   -2.3784 
 H                     1.3285   -5.6439   -3.7697 
 Cl                    0.7667   -0.5562    2.3844 
 
 Add virtual bond connecting atoms Cl113      and H103       Dist= 5.76D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3367         estimate D2E/DX2                !
 ! R2    R(1,6)                  1.3335         estimate D2E/DX2                !
 ! R3    R(1,23)                 1.3049         estimate D2E/DX2                !
 ! R4    R(2,3)                  1.3323         estimate D2E/DX2                !
 ! R5    R(2,70)                 1.1289         estimate D2E/DX2                !
 ! R6    R(3,4)                  1.3585         estimate D2E/DX2                !
 ! R7    R(3,7)                  1.3274         estimate D2E/DX2                !
 ! R8    R(4,5)                  1.3327         estimate D2E/DX2                !
 ! R9    R(4,10)                 1.3292         estimate D2E/DX2                !
 ! R10   R(5,6)                  1.3359         estimate D2E/DX2                !
 ! R11   R(5,71)                 1.1233         estimate D2E/DX2                !
 ! R12   R(6,72)                 1.1499         estimate D2E/DX2                !
 ! R13   R(7,8)                  1.3759         estimate D2E/DX2                !
 ! R14   R(7,11)                 1.3379         estimate D2E/DX2                !
 ! R15   R(8,9)                  1.3373         estimate D2E/DX2                !
 ! R16   R(8,14)                 1.3668         estimate D2E/DX2                !
 ! R17   R(9,10)                 1.3853         estimate D2E/DX2                !
 ! R18   R(9,15)                 1.3316         estimate D2E/DX2                !
 ! R19   R(10,18)                1.2334         estimate D2E/DX2                !
 ! R20   R(11,12)                1.3378         estimate D2E/DX2                !
 ! R21   R(11,73)                1.0579         estimate D2E/DX2                !
 ! R22   R(12,13)                1.3316         estimate D2E/DX2                !
 ! R23   R(12,24)                1.2817         estimate D2E/DX2                !
 ! R24   R(13,14)                1.3798         estimate D2E/DX2                !
 ! R25   R(13,74)                1.1483         estimate D2E/DX2                !
 ! R26   R(14,75)                1.0886         estimate D2E/DX2                !
 ! R27   R(15,16)                1.3133         estimate D2E/DX2                !
 ! R28   R(15,63)                1.7726         estimate D2E/DX2                !
 ! R29   R(16,17)                1.3064         estimate D2E/DX2                !
 ! R30   R(16,19)                1.3588         estimate D2E/DX2                !
 ! R31   R(17,18)                1.24           estimate D2E/DX2                !
 ! R32   R(17,22)                1.3379         estimate D2E/DX2                !
 ! R33   R(19,20)                1.3473         estimate D2E/DX2                !
 ! R34   R(19,76)                1.1015         estimate D2E/DX2                !
 ! R35   R(20,21)                1.3376         estimate D2E/DX2                !
 ! R36   R(20,77)                1.035          estimate D2E/DX2                !
 ! R37   R(21,22)                1.3584         estimate D2E/DX2                !
 ! R38   R(21,25)                1.3114         estimate D2E/DX2                !
 ! R39   R(22,78)                1.0386         estimate D2E/DX2                !
 ! R40   R(23,30)                1.306          estimate D2E/DX2                !
 ! R41   R(23,33)                1.2903         estimate D2E/DX2                !
 ! R42   R(24,26)                1.3353         estimate D2E/DX2                !
 ! R43   R(24,29)                1.2619         estimate D2E/DX2                !
 ! R44   R(25,34)                1.2665         estimate D2E/DX2                !
 ! R45   R(25,37)                1.2869         estimate D2E/DX2                !
 ! R46   R(26,27)                1.373          estimate D2E/DX2                !
 ! R47   R(26,42)                1.3214         estimate D2E/DX2                !
 ! R48   R(27,28)                1.3373         estimate D2E/DX2                !
 ! R49   R(27,45)                1.2979         estimate D2E/DX2                !
 ! R50   R(28,29)                1.3221         estimate D2E/DX2                !
 ! R51   R(28,38)                1.3475         estimate D2E/DX2                !
 ! R52   R(29,41)                1.3405         estimate D2E/DX2                !
 ! R53   R(30,31)                1.289          estimate D2E/DX2                !
 ! R54   R(30,50)                1.335          estimate D2E/DX2                !
 ! R55   R(31,32)                1.3304         estimate D2E/DX2                !
 ! R56   R(31,53)                1.3501         estimate D2E/DX2                !
 ! R57   R(32,33)                1.3659         estimate D2E/DX2                !
 ! R58   R(32,46)                1.3404         estimate D2E/DX2                !
 ! R59   R(33,49)                1.3436         estimate D2E/DX2                !
 ! R60   R(34,35)                1.322          estimate D2E/DX2                !
 ! R61   R(34,58)                1.3442         estimate D2E/DX2                !
 ! R62   R(35,36)                1.3077         estimate D2E/DX2                !
 ! R63   R(35,61)                1.3409         estimate D2E/DX2                !
 ! R64   R(36,37)                1.3407         estimate D2E/DX2                !
 ! R65   R(36,54)                1.3455         estimate D2E/DX2                !
 ! R66   R(37,57)                1.3803         estimate D2E/DX2                !
 ! R67   R(38,39)                1.2922         estimate D2E/DX2                !
 ! R68   R(38,79)                1.0871         estimate D2E/DX2                !
 ! R69   R(39,40)                1.3724         estimate D2E/DX2                !
 ! R70   R(39,80)                1.1268         estimate D2E/DX2                !
 ! R71   R(40,41)                1.3241         estimate D2E/DX2                !
 ! R72   R(40,81)                1.1484         estimate D2E/DX2                !
 ! R73   R(41,82)                1.0979         estimate D2E/DX2                !
 ! R74   R(42,43)                1.3324         estimate D2E/DX2                !
 ! R75   R(42,83)                1.1802         estimate D2E/DX2                !
 ! R76   R(43,44)                1.355          estimate D2E/DX2                !
 ! R77   R(43,84)                1.1053         estimate D2E/DX2                !
 ! R78   R(44,45)                1.3303         estimate D2E/DX2                !
 ! R79   R(44,85)                1.0974         estimate D2E/DX2                !
 ! R80   R(45,86)                1.0913         estimate D2E/DX2                !
 ! R81   R(46,47)                1.3801         estimate D2E/DX2                !
 ! R82   R(46,87)                1.1638         estimate D2E/DX2                !
 ! R83   R(47,48)                1.3573         estimate D2E/DX2                !
 ! R84   R(47,88)                1.1147         estimate D2E/DX2                !
 ! R85   R(48,49)                1.326          estimate D2E/DX2                !
 ! R86   R(48,89)                1.1336         estimate D2E/DX2                !
 ! R87   R(49,90)                1.1245         estimate D2E/DX2                !
 ! R88   R(50,51)                1.3398         estimate D2E/DX2                !
 ! R89   R(50,91)                1.1434         estimate D2E/DX2                !
 ! R90   R(51,52)                1.3237         estimate D2E/DX2                !
 ! R91   R(51,92)                1.0928         estimate D2E/DX2                !
 ! R92   R(52,53)                1.3288         estimate D2E/DX2                !
 ! R93   R(52,93)                1.0694         estimate D2E/DX2                !
 ! R94   R(53,94)                1.0889         estimate D2E/DX2                !
 ! R95   R(54,55)                1.3088         estimate D2E/DX2                !
 ! R96   R(54,95)                1.1299         estimate D2E/DX2                !
 ! R97   R(55,56)                1.3198         estimate D2E/DX2                !
 ! R98   R(55,96)                1.1133         estimate D2E/DX2                !
 ! R99   R(56,57)                1.3491         estimate D2E/DX2                !
 ! R100  R(56,97)                1.122          estimate D2E/DX2                !
 ! R101  R(57,98)                1.122          estimate D2E/DX2                !
 ! R102  R(58,59)                1.3733         estimate D2E/DX2                !
 ! R103  R(58,99)                1.0845         estimate D2E/DX2                !
 ! R104  R(59,60)                1.3369         estimate D2E/DX2                !
 ! R105  R(59,100)               1.0768         estimate D2E/DX2                !
 ! R106  R(60,61)                1.3328         estimate D2E/DX2                !
 ! R107  R(60,101)               1.0738         estimate D2E/DX2                !
 ! R108  R(61,102)               1.1139         estimate D2E/DX2                !
 ! R109  R(62,63)                1.489          estimate D2E/DX2                !
 ! R110  R(63,64)                1.6872         estimate D2E/DX2                !
 ! R111  R(63,65)                1.7299         estimate D2E/DX2                !
 ! R112  R(64,66)                1.3968         estimate D2E/DX2                !
 ! R113  R(65,68)                1.4263         estimate D2E/DX2                !
 ! R114  R(66,67)                1.4834         estimate D2E/DX2                !
 ! R115  R(66,103)               1.1549         estimate D2E/DX2                !
 ! R116  R(66,104)               1.1392         estimate D2E/DX2                !
 ! R117  R(67,105)               1.0834         estimate D2E/DX2                !
 ! R118  R(67,106)               1.1747         estimate D2E/DX2                !
 ! R119  R(67,107)               1.1262         estimate D2E/DX2                !
 ! R120  R(68,69)                1.5094         estimate D2E/DX2                !
 ! R121  R(68,108)               1.1013         estimate D2E/DX2                !
 ! R122  R(68,109)               1.1205         estimate D2E/DX2                !
 ! R123  R(69,110)               1.1288         estimate D2E/DX2                !
 ! R124  R(69,111)               1.0707         estimate D2E/DX2                !
 ! R125  R(69,112)               1.143          estimate D2E/DX2                !
 ! R126  R(103,113)              3.0491         estimate D2E/DX2                !
 ! A1    A(2,1,6)              109.8786         estimate D2E/DX2                !
 ! A2    A(2,1,23)             124.6271         estimate D2E/DX2                !
 ! A3    A(6,1,23)             125.43           estimate D2E/DX2                !
 ! A4    A(1,2,3)              130.3598         estimate D2E/DX2                !
 ! A5    A(1,2,70)             109.3599         estimate D2E/DX2                !
 ! A6    A(3,2,70)             118.6781         estimate D2E/DX2                !
 ! A7    A(2,3,4)              116.6747         estimate D2E/DX2                !
 ! A8    A(2,3,7)              125.8598         estimate D2E/DX2                !
 ! A9    A(4,3,7)              116.9561         estimate D2E/DX2                !
 ! A10   A(3,4,5)              113.6864         estimate D2E/DX2                !
 ! A11   A(3,4,10)             121.7462         estimate D2E/DX2                !
 ! A12   A(5,4,10)             123.974          estimate D2E/DX2                !
 ! A13   A(4,5,6)              125.5064         estimate D2E/DX2                !
 ! A14   A(4,5,71)             123.6036         estimate D2E/DX2                !
 ! A15   A(6,5,71)             110.8305         estimate D2E/DX2                !
 ! A16   A(1,6,5)              122.2039         estimate D2E/DX2                !
 ! A17   A(1,6,72)             126.6129         estimate D2E/DX2                !
 ! A18   A(5,6,72)             110.5212         estimate D2E/DX2                !
 ! A19   A(3,7,8)              118.137          estimate D2E/DX2                !
 ! A20   A(3,7,11)             125.0875         estimate D2E/DX2                !
 ! A21   A(8,7,11)             116.5806         estimate D2E/DX2                !
 ! A22   A(7,8,9)              128.4558         estimate D2E/DX2                !
 ! A23   A(7,8,14)             118.1106         estimate D2E/DX2                !
 ! A24   A(9,8,14)             112.9805         estimate D2E/DX2                !
 ! A25   A(8,9,10)             108.8603         estimate D2E/DX2                !
 ! A26   A(8,9,15)             136.144          estimate D2E/DX2                !
 ! A27   A(10,9,15)            114.9003         estimate D2E/DX2                !
 ! A28   A(4,10,9)             125.0415         estimate D2E/DX2                !
 ! A29   A(4,10,18)            113.4801         estimate D2E/DX2                !
 ! A30   A(9,10,18)            121.4607         estimate D2E/DX2                !
 ! A31   A(7,11,12)            128.7348         estimate D2E/DX2                !
 ! A32   A(7,11,73)            116.3067         estimate D2E/DX2                !
 ! A33   A(12,11,73)           114.8251         estimate D2E/DX2                !
 ! A34   A(11,12,13)           111.5445         estimate D2E/DX2                !
 ! A35   A(11,12,24)           132.716          estimate D2E/DX2                !
 ! A36   A(13,12,24)           115.6771         estimate D2E/DX2                !
 ! A37   A(12,13,14)           125.2279         estimate D2E/DX2                !
 ! A38   A(12,13,74)           119.2232         estimate D2E/DX2                !
 ! A39   A(14,13,74)           115.5465         estimate D2E/DX2                !
 ! A40   A(8,14,13)            118.2345         estimate D2E/DX2                !
 ! A41   A(8,14,75)            135.9173         estimate D2E/DX2                !
 ! A42   A(13,14,75)           105.3664         estimate D2E/DX2                !
 ! A43   A(9,15,16)            120.8775         estimate D2E/DX2                !
 ! A44   A(9,15,63)            119.7163         estimate D2E/DX2                !
 ! A45   A(16,15,63)           118.9701         estimate D2E/DX2                !
 ! A46   A(15,16,17)           116.9504         estimate D2E/DX2                !
 ! A47   A(15,16,19)           127.594          estimate D2E/DX2                !
 ! A48   A(17,16,19)           114.2593         estimate D2E/DX2                !
 ! A49   A(16,17,18)           124.1043         estimate D2E/DX2                !
 ! A50   A(16,17,22)           118.7447         estimate D2E/DX2                !
 ! A51   A(18,17,22)           117.141          estimate D2E/DX2                !
 ! A52   A(10,18,17)           120.7291         estimate D2E/DX2                !
 ! A53   A(16,19,20)           125.7807         estimate D2E/DX2                !
 ! A54   A(16,19,76)           119.4955         estimate D2E/DX2                !
 ! A55   A(20,19,76)           111.8747         estimate D2E/DX2                !
 ! A56   A(19,20,21)           117.5946         estimate D2E/DX2                !
 ! A57   A(19,20,77)           111.2829         estimate D2E/DX2                !
 ! A58   A(21,20,77)           130.8554         estimate D2E/DX2                !
 ! A59   A(20,21,22)           114.1376         estimate D2E/DX2                !
 ! A60   A(20,21,25)           116.565          estimate D2E/DX2                !
 ! A61   A(22,21,25)           129.2489         estimate D2E/DX2                !
 ! A62   A(17,22,21)           126.5993         estimate D2E/DX2                !
 ! A63   A(17,22,78)           123.2407         estimate D2E/DX2                !
 ! A64   A(21,22,78)           110.1182         estimate D2E/DX2                !
 ! A65   A(1,23,30)            129.3388         estimate D2E/DX2                !
 ! A66   A(1,23,33)            129.6384         estimate D2E/DX2                !
 ! A67   A(30,23,33)           100.8782         estimate D2E/DX2                !
 ! A68   A(12,24,26)           126.4321         estimate D2E/DX2                !
 ! A69   A(12,24,29)           127.3258         estimate D2E/DX2                !
 ! A70   A(26,24,29)           106.2332         estimate D2E/DX2                !
 ! A71   A(21,25,34)           123.0313         estimate D2E/DX2                !
 ! A72   A(21,25,37)           128.7823         estimate D2E/DX2                !
 ! A73   A(34,25,37)           108.17           estimate D2E/DX2                !
 ! A74   A(24,26,27)           108.8809         estimate D2E/DX2                !
 ! A75   A(24,26,42)           137.7667         estimate D2E/DX2                !
 ! A76   A(27,26,42)           113.0238         estimate D2E/DX2                !
 ! A77   A(26,27,28)           105.1462         estimate D2E/DX2                !
 ! A78   A(26,27,45)           126.7732         estimate D2E/DX2                !
 ! A79   A(28,27,45)           128.0484         estimate D2E/DX2                !
 ! A80   A(27,28,29)           106.7468         estimate D2E/DX2                !
 ! A81   A(27,28,38)           130.4422         estimate D2E/DX2                !
 ! A82   A(29,28,38)           122.3003         estimate D2E/DX2                !
 ! A83   A(24,29,28)           112.9717         estimate D2E/DX2                !
 ! A84   A(24,29,41)           130.9242         estimate D2E/DX2                !
 ! A85   A(28,29,41)           115.9912         estimate D2E/DX2                !
 ! A86   A(23,30,31)           117.0771         estimate D2E/DX2                !
 ! A87   A(23,30,50)           129.3953         estimate D2E/DX2                !
 ! A88   A(31,30,50)           113.0754         estimate D2E/DX2                !
 ! A89   A(30,31,32)           104.0909         estimate D2E/DX2                !
 ! A90   A(30,31,53)           127.7048         estimate D2E/DX2                !
 ! A91   A(32,31,53)           127.9013         estimate D2E/DX2                !
 ! A92   A(31,32,33)           105.1081         estimate D2E/DX2                !
 ! A93   A(31,32,46)           132.3109         estimate D2E/DX2                !
 ! A94   A(33,32,46)           122.4856         estimate D2E/DX2                !
 ! A95   A(23,33,32)           112.745          estimate D2E/DX2                !
 ! A96   A(23,33,49)           129.9871         estimate D2E/DX2                !
 ! A97   A(32,33,49)           116.6833         estimate D2E/DX2                !
 ! A98   A(25,34,35)           111.4353         estimate D2E/DX2                !
 ! A99   A(25,34,58)           130.974          estimate D2E/DX2                !
 ! A100  A(35,34,58)           116.3841         estimate D2E/DX2                !
 ! A101  A(34,35,36)           104.5446         estimate D2E/DX2                !
 ! A102  A(34,35,61)           128.0109         estimate D2E/DX2                !
 ! A103  A(36,35,61)           127.3873         estimate D2E/DX2                !
 ! A104  A(35,36,37)           108.6179         estimate D2E/DX2                !
 ! A105  A(35,36,54)           132.9874         estimate D2E/DX2                !
 ! A106  A(37,36,54)           118.2266         estimate D2E/DX2                !
 ! A107  A(25,37,36)           107.1896         estimate D2E/DX2                !
 ! A108  A(25,37,57)           136.6078         estimate D2E/DX2                !
 ! A109  A(36,37,57)           115.9714         estimate D2E/DX2                !
 ! A110  A(28,38,39)           116.6407         estimate D2E/DX2                !
 ! A111  A(28,38,79)           123.122          estimate D2E/DX2                !
 ! A112  A(39,38,79)           120.1431         estimate D2E/DX2                !
 ! A113  A(38,39,40)           126.6749         estimate D2E/DX2                !
 ! A114  A(38,39,80)           117.2329         estimate D2E/DX2                !
 ! A115  A(40,39,80)           115.9566         estimate D2E/DX2                !
 ! A116  A(39,40,41)           111.1264         estimate D2E/DX2                !
 ! A117  A(39,40,81)           124.1324         estimate D2E/DX2                !
 ! A118  A(41,40,81)           124.7412         estimate D2E/DX2                !
 ! A119  A(29,41,40)           126.86           estimate D2E/DX2                !
 ! A120  A(29,41,82)           123.3413         estimate D2E/DX2                !
 ! A121  A(40,41,82)           108.0817         estimate D2E/DX2                !
 ! A122  A(26,42,43)           123.3327         estimate D2E/DX2                !
 ! A123  A(26,42,83)           117.9277         estimate D2E/DX2                !
 ! A124  A(43,42,83)           118.6693         estimate D2E/DX2                !
 ! A125  A(42,43,44)           119.5394         estimate D2E/DX2                !
 ! A126  A(42,43,84)           113.37           estimate D2E/DX2                !
 ! A127  A(44,43,84)           127.0818         estimate D2E/DX2                !
 ! A128  A(43,44,45)           119.6136         estimate D2E/DX2                !
 ! A129  A(43,44,85)           116.5925         estimate D2E/DX2                !
 ! A130  A(45,44,85)           123.535          estimate D2E/DX2                !
 ! A131  A(27,45,44)           117.2564         estimate D2E/DX2                !
 ! A132  A(27,45,86)           125.3078         estimate D2E/DX2                !
 ! A133  A(44,45,86)           117.4231         estimate D2E/DX2                !
 ! A134  A(32,46,47)           119.9827         estimate D2E/DX2                !
 ! A135  A(32,46,87)           123.8041         estimate D2E/DX2                !
 ! A136  A(47,46,87)           115.8496         estimate D2E/DX2                !
 ! A137  A(46,47,48)           115.9447         estimate D2E/DX2                !
 ! A138  A(46,47,88)           117.388          estimate D2E/DX2                !
 ! A139  A(48,47,88)           126.6231         estimate D2E/DX2                !
 ! A140  A(47,48,49)           123.2562         estimate D2E/DX2                !
 ! A141  A(47,48,89)           118.0081         estimate D2E/DX2                !
 ! A142  A(49,48,89)           118.4095         estimate D2E/DX2                !
 ! A143  A(33,49,48)           121.21           estimate D2E/DX2                !
 ! A144  A(33,49,90)           120.109          estimate D2E/DX2                !
 ! A145  A(48,49,90)           117.9587         estimate D2E/DX2                !
 ! A146  A(30,50,51)           120.8055         estimate D2E/DX2                !
 ! A147  A(30,50,91)           128.5983         estimate D2E/DX2                !
 ! A148  A(51,50,91)           110.5961         estimate D2E/DX2                !
 ! A149  A(50,51,52)           123.439          estimate D2E/DX2                !
 ! A150  A(50,51,92)           127.1273         estimate D2E/DX2                !
 ! A151  A(52,51,92)           109.3492         estimate D2E/DX2                !
 ! A152  A(51,52,53)           116.1632         estimate D2E/DX2                !
 ! A153  A(51,52,93)           122.4428         estimate D2E/DX2                !
 ! A154  A(53,52,93)           121.3779         estimate D2E/DX2                !
 ! A155  A(31,53,52)           117.4936         estimate D2E/DX2                !
 ! A156  A(31,53,94)           119.7539         estimate D2E/DX2                !
 ! A157  A(52,53,94)           122.7524         estimate D2E/DX2                !
 ! A158  A(36,54,55)           125.585          estimate D2E/DX2                !
 ! A159  A(36,54,95)           122.9853         estimate D2E/DX2                !
 ! A160  A(55,54,95)           110.9553         estimate D2E/DX2                !
 ! A161  A(54,55,56)           117.4493         estimate D2E/DX2                !
 ! A162  A(54,55,96)           126.9275         estimate D2E/DX2                !
 ! A163  A(56,55,96)           115.0915         estimate D2E/DX2                !
 ! A164  A(55,56,57)           119.3128         estimate D2E/DX2                !
 ! A165  A(55,56,97)           122.3598         estimate D2E/DX2                !
 ! A166  A(57,56,97)           118.1042         estimate D2E/DX2                !
 ! A167  A(37,57,56)           122.828          estimate D2E/DX2                !
 ! A168  A(37,57,98)           122.3909         estimate D2E/DX2                !
 ! A169  A(56,57,98)           114.7071         estimate D2E/DX2                !
 ! A170  A(34,58,59)           120.1269         estimate D2E/DX2                !
 ! A171  A(34,58,99)           125.5786         estimate D2E/DX2                !
 ! A172  A(59,58,99)           113.4942         estimate D2E/DX2                !
 ! A173  A(58,59,60)           115.6897         estimate D2E/DX2                !
 ! A174  A(58,59,100)          122.6732         estimate D2E/DX2                !
 ! A175  A(60,59,100)          121.5147         estimate D2E/DX2                !
 ! A176  A(59,60,61)           128.0656         estimate D2E/DX2                !
 ! A177  A(59,60,101)          116.8777         estimate D2E/DX2                !
 ! A178  A(61,60,101)          114.9353         estimate D2E/DX2                !
 ! A179  A(35,61,60)           109.1415         estimate D2E/DX2                !
 ! A180  A(35,61,102)          127.6412         estimate D2E/DX2                !
 ! A181  A(60,61,102)          121.2405         estimate D2E/DX2                !
 ! A182  A(15,63,62)           117.2036         estimate D2E/DX2                !
 ! A183  A(15,63,64)           112.9637         estimate D2E/DX2                !
 ! A184  A(15,63,65)           122.4281         estimate D2E/DX2                !
 ! A185  A(62,63,64)           106.2107         estimate D2E/DX2                !
 ! A186  A(62,63,65)            94.2209         estimate D2E/DX2                !
 ! A187  A(64,63,65)           100.9527         estimate D2E/DX2                !
 ! A188  A(63,64,66)           119.2669         estimate D2E/DX2                !
 ! A189  A(63,65,68)           120.3181         estimate D2E/DX2                !
 ! A190  A(64,66,67)           109.9849         estimate D2E/DX2                !
 ! A191  A(64,66,103)          107.1852         estimate D2E/DX2                !
 ! A192  A(64,66,104)          111.21           estimate D2E/DX2                !
 ! A193  A(67,66,103)          107.7529         estimate D2E/DX2                !
 ! A194  A(67,66,104)          110.8907         estimate D2E/DX2                !
 ! A195  A(103,66,104)         109.6852         estimate D2E/DX2                !
 ! A196  A(66,67,105)          111.8609         estimate D2E/DX2                !
 ! A197  A(66,67,106)          108.1941         estimate D2E/DX2                !
 ! A198  A(66,67,107)          108.3962         estimate D2E/DX2                !
 ! A199  A(105,67,106)         110.7047         estimate D2E/DX2                !
 ! A200  A(105,67,107)         111.3596         estimate D2E/DX2                !
 ! A201  A(106,67,107)         106.098          estimate D2E/DX2                !
 ! A202  A(65,68,69)           104.8938         estimate D2E/DX2                !
 ! A203  A(65,68,108)          104.1174         estimate D2E/DX2                !
 ! A204  A(65,68,109)          107.0893         estimate D2E/DX2                !
 ! A205  A(69,68,108)          107.796          estimate D2E/DX2                !
 ! A206  A(69,68,109)          120.3456         estimate D2E/DX2                !
 ! A207  A(108,68,109)         111.2329         estimate D2E/DX2                !
 ! A208  A(68,69,110)          114.453          estimate D2E/DX2                !
 ! A209  A(68,69,111)          109.7118         estimate D2E/DX2                !
 ! A210  A(68,69,112)          112.7347         estimate D2E/DX2                !
 ! A211  A(110,69,111)         105.2386         estimate D2E/DX2                !
 ! A212  A(110,69,112)         109.9071         estimate D2E/DX2                !
 ! A213  A(111,69,112)         104.0075         estimate D2E/DX2                !
 ! A214  A(66,103,113)         122.0944         estimate D2E/DX2                !
 ! D1    D(6,1,2,3)             -0.859          estimate D2E/DX2                !
 ! D2    D(6,1,2,70)           164.1885         estimate D2E/DX2                !
 ! D3    D(23,1,2,3)           176.3562         estimate D2E/DX2                !
 ! D4    D(23,1,2,70)          -18.5963         estimate D2E/DX2                !
 ! D5    D(2,1,6,5)              8.0403         estimate D2E/DX2                !
 ! D6    D(2,1,6,72)           177.8104         estimate D2E/DX2                !
 ! D7    D(23,1,6,5)          -169.1473         estimate D2E/DX2                !
 ! D8    D(23,1,6,72)            0.6227         estimate D2E/DX2                !
 ! D9    D(2,1,23,30)          153.4837         estimate D2E/DX2                !
 ! D10   D(2,1,23,33)          -31.7467         estimate D2E/DX2                !
 ! D11   D(6,1,23,30)          -29.7308         estimate D2E/DX2                !
 ! D12   D(6,1,23,33)          145.0388         estimate D2E/DX2                !
 ! D13   D(1,2,3,4)            -10.5623         estimate D2E/DX2                !
 ! D14   D(1,2,3,7)            177.9124         estimate D2E/DX2                !
 ! D15   D(70,2,3,4)          -174.4533         estimate D2E/DX2                !
 ! D16   D(70,2,3,7)            14.0214         estimate D2E/DX2                !
 ! D17   D(2,3,4,5)             13.7042         estimate D2E/DX2                !
 ! D18   D(2,3,4,10)          -174.7983         estimate D2E/DX2                !
 ! D19   D(7,3,4,5)           -173.9964         estimate D2E/DX2                !
 ! D20   D(7,3,4,10)            -2.4989         estimate D2E/DX2                !
 ! D21   D(2,3,7,8)            171.8159         estimate D2E/DX2                !
 ! D22   D(2,3,7,11)            -2.9231         estimate D2E/DX2                !
 ! D23   D(4,3,7,8)              0.3118         estimate D2E/DX2                !
 ! D24   D(4,3,7,11)          -174.4272         estimate D2E/DX2                !
 ! D25   D(3,4,5,6)             -7.7602         estimate D2E/DX2                !
 ! D26   D(3,4,5,71)           175.3058         estimate D2E/DX2                !
 ! D27   D(10,4,5,6)          -179.0398         estimate D2E/DX2                !
 ! D28   D(10,4,5,71)            4.0263         estimate D2E/DX2                !
 ! D29   D(3,4,10,9)            -2.1583         estimate D2E/DX2                !
 ! D30   D(3,4,10,18)          179.3578         estimate D2E/DX2                !
 ! D31   D(5,4,10,9)           168.445          estimate D2E/DX2                !
 ! D32   D(5,4,10,18)          -10.0389         estimate D2E/DX2                !
 ! D33   D(4,5,6,1)             -3.9569         estimate D2E/DX2                !
 ! D34   D(4,5,6,72)          -175.2016         estimate D2E/DX2                !
 ! D35   D(71,5,6,1)           173.3111         estimate D2E/DX2                !
 ! D36   D(71,5,6,72)            2.0664         estimate D2E/DX2                !
 ! D37   D(3,7,8,9)              7.3623         estimate D2E/DX2                !
 ! D38   D(3,7,8,14)          -164.3179         estimate D2E/DX2                !
 ! D39   D(11,7,8,9)          -177.4503         estimate D2E/DX2                !
 ! D40   D(11,7,8,14)           10.8695         estimate D2E/DX2                !
 ! D41   D(3,7,11,12)          173.9804         estimate D2E/DX2                !
 ! D42   D(3,7,11,73)          -10.473          estimate D2E/DX2                !
 ! D43   D(8,7,11,12)           -0.8322         estimate D2E/DX2                !
 ! D44   D(8,7,11,73)          174.7144         estimate D2E/DX2                !
 ! D45   D(7,8,9,10)           -10.8716         estimate D2E/DX2                !
 ! D46   D(7,8,9,15)           165.2378         estimate D2E/DX2                !
 ! D47   D(14,8,9,10)          161.1598         estimate D2E/DX2                !
 ! D48   D(14,8,9,15)          -22.7308         estimate D2E/DX2                !
 ! D49   D(7,8,14,13)          -10.441          estimate D2E/DX2                !
 ! D50   D(7,8,14,75)          160.2335         estimate D2E/DX2                !
 ! D51   D(9,8,14,13)          176.6287         estimate D2E/DX2                !
 ! D52   D(9,8,14,75)          -12.6967         estimate D2E/DX2                !
 ! D53   D(8,9,10,4)             8.0609         estimate D2E/DX2                !
 ! D54   D(8,9,10,18)         -173.5693         estimate D2E/DX2                !
 ! D55   D(15,9,10,4)         -168.9681         estimate D2E/DX2                !
 ! D56   D(15,9,10,18)           9.4017         estimate D2E/DX2                !
 ! D57   D(8,9,15,16)          172.3584         estimate D2E/DX2                !
 ! D58   D(8,9,15,63)          -15.2982         estimate D2E/DX2                !
 ! D59   D(10,9,15,16)         -11.701          estimate D2E/DX2                !
 ! D60   D(10,9,15,63)         160.6424         estimate D2E/DX2                !
 ! D61   D(4,10,18,17)         176.1502         estimate D2E/DX2                !
 ! D62   D(9,10,18,17)          -2.3947         estimate D2E/DX2                !
 ! D63   D(7,11,12,13)          -9.0113         estimate D2E/DX2                !
 ! D64   D(7,11,12,24)         174.0605         estimate D2E/DX2                !
 ! D65   D(73,11,12,13)        175.3872         estimate D2E/DX2                !
 ! D66   D(73,11,12,24)         -1.541          estimate D2E/DX2                !
 ! D67   D(11,12,13,14)          9.333          estimate D2E/DX2                !
 ! D68   D(11,12,13,74)       -171.2581         estimate D2E/DX2                !
 ! D69   D(24,12,13,14)       -173.1708         estimate D2E/DX2                !
 ! D70   D(24,12,13,74)          6.238          estimate D2E/DX2                !
 ! D71   D(11,12,24,26)       -145.9471         estimate D2E/DX2                !
 ! D72   D(11,12,24,29)         32.814          estimate D2E/DX2                !
 ! D73   D(13,12,24,26)         37.2232         estimate D2E/DX2                !
 ! D74   D(13,12,24,29)       -144.0156         estimate D2E/DX2                !
 ! D75   D(12,13,14,8)          -0.2014         estimate D2E/DX2                !
 ! D76   D(12,13,14,75)       -173.4876         estimate D2E/DX2                !
 ! D77   D(74,13,14,8)        -179.6296         estimate D2E/DX2                !
 ! D78   D(74,13,14,75)          7.0843         estimate D2E/DX2                !
 ! D79   D(9,15,16,17)           7.2985         estimate D2E/DX2                !
 ! D80   D(9,15,16,19)        -159.4017         estimate D2E/DX2                !
 ! D81   D(63,15,16,17)       -165.1011         estimate D2E/DX2                !
 ! D82   D(63,15,16,19)         28.1987         estimate D2E/DX2                !
 ! D83   D(9,15,63,62)         -22.4576         estimate D2E/DX2                !
 ! D84   D(9,15,63,64)        -146.4239         estimate D2E/DX2                !
 ! D85   D(9,15,63,65)          92.6676         estimate D2E/DX2                !
 ! D86   D(16,15,63,62)        150.032          estimate D2E/DX2                !
 ! D87   D(16,15,63,64)         26.0657         estimate D2E/DX2                !
 ! D88   D(16,15,63,65)        -94.8428         estimate D2E/DX2                !
 ! D89   D(15,16,17,18)          0.4382         estimate D2E/DX2                !
 ! D90   D(15,16,17,22)       -178.3803         estimate D2E/DX2                !
 ! D91   D(19,16,17,18)        168.9051         estimate D2E/DX2                !
 ! D92   D(19,16,17,22)         -9.9133         estimate D2E/DX2                !
 ! D93   D(15,16,19,20)       -172.9236         estimate D2E/DX2                !
 ! D94   D(15,16,19,76)        -13.6424         estimate D2E/DX2                !
 ! D95   D(17,16,19,20)         20.0748         estimate D2E/DX2                !
 ! D96   D(17,16,19,76)        179.3561         estimate D2E/DX2                !
 ! D97   D(16,17,18,10)         -2.8449         estimate D2E/DX2                !
 ! D98   D(22,17,18,10)        175.9909         estimate D2E/DX2                !
 ! D99   D(16,17,22,21)         -4.3663         estimate D2E/DX2                !
 ! D100  D(16,17,22,78)        178.2237         estimate D2E/DX2                !
 ! D101  D(18,17,22,21)        176.7331         estimate D2E/DX2                !
 ! D102  D(18,17,22,78)         -0.6769         estimate D2E/DX2                !
 ! D103  D(16,19,20,21)        -14.6631         estimate D2E/DX2                !
 ! D104  D(16,19,20,77)        160.0461         estimate D2E/DX2                !
 ! D105  D(76,19,20,21)       -175.2838         estimate D2E/DX2                !
 ! D106  D(76,19,20,77)         -0.5747         estimate D2E/DX2                !
 ! D107  D(19,20,21,22)         -0.6412         estimate D2E/DX2                !
 ! D108  D(19,20,21,25)       -178.3466         estimate D2E/DX2                !
 ! D109  D(77,20,21,22)       -174.1184         estimate D2E/DX2                !
 ! D110  D(77,20,21,25)          8.1762         estimate D2E/DX2                !
 ! D111  D(20,21,22,17)          9.9826         estimate D2E/DX2                !
 ! D112  D(20,21,22,78)       -172.3242         estimate D2E/DX2                !
 ! D113  D(25,21,22,17)       -172.6679         estimate D2E/DX2                !
 ! D114  D(25,21,22,78)          5.0253         estimate D2E/DX2                !
 ! D115  D(20,21,25,34)       -157.1306         estimate D2E/DX2                !
 ! D116  D(20,21,25,37)         24.5258         estimate D2E/DX2                !
 ! D117  D(22,21,25,34)         25.5737         estimate D2E/DX2                !
 ! D118  D(22,21,25,37)       -152.7699         estimate D2E/DX2                !
 ! D119  D(1,23,30,31)         179.1979         estimate D2E/DX2                !
 ! D120  D(1,23,30,50)          -9.1268         estimate D2E/DX2                !
 ! D121  D(33,23,30,31)          3.2973         estimate D2E/DX2                !
 ! D122  D(33,23,30,50)        174.9726         estimate D2E/DX2                !
 ! D123  D(1,23,33,32)        -177.8738         estimate D2E/DX2                !
 ! D124  D(1,23,33,49)          -7.0754         estimate D2E/DX2                !
 ! D125  D(30,23,33,32)         -1.9909         estimate D2E/DX2                !
 ! D126  D(30,23,33,49)        168.8075         estimate D2E/DX2                !
 ! D127  D(12,24,26,27)        177.7768         estimate D2E/DX2                !
 ! D128  D(12,24,26,42)          5.1582         estimate D2E/DX2                !
 ! D129  D(29,24,26,27)         -1.1972         estimate D2E/DX2                !
 ! D130  D(29,24,26,42)       -173.8158         estimate D2E/DX2                !
 ! D131  D(12,24,29,28)       -177.4186         estimate D2E/DX2                !
 ! D132  D(12,24,29,41)          6.6683         estimate D2E/DX2                !
 ! D133  D(26,24,29,28)          1.5433         estimate D2E/DX2                !
 ! D134  D(26,24,29,41)       -174.3698         estimate D2E/DX2                !
 ! D135  D(21,25,34,35)       -177.9018         estimate D2E/DX2                !
 ! D136  D(21,25,34,58)         15.3686         estimate D2E/DX2                !
 ! D137  D(37,25,34,35)          0.7392         estimate D2E/DX2                !
 ! D138  D(37,25,34,58)       -165.9904         estimate D2E/DX2                !
 ! D139  D(21,25,37,36)        176.7873         estimate D2E/DX2                !
 ! D140  D(21,25,37,57)          2.8107         estimate D2E/DX2                !
 ! D141  D(34,25,37,36)         -1.7511         estimate D2E/DX2                !
 ! D142  D(34,25,37,57)       -175.7278         estimate D2E/DX2                !
 ! D143  D(24,26,27,28)          0.4436         estimate D2E/DX2                !
 ! D144  D(24,26,27,45)       -177.6177         estimate D2E/DX2                !
 ! D145  D(42,26,27,28)        175.0598         estimate D2E/DX2                !
 ! D146  D(42,26,27,45)         -3.0015         estimate D2E/DX2                !
 ! D147  D(24,26,42,43)        177.1032         estimate D2E/DX2                !
 ! D148  D(24,26,42,83)          0.197          estimate D2E/DX2                !
 ! D149  D(27,26,42,43)          4.6931         estimate D2E/DX2                !
 ! D150  D(27,26,42,83)       -172.2131         estimate D2E/DX2                !
 ! D151  D(26,27,28,29)          0.4486         estimate D2E/DX2                !
 ! D152  D(26,27,28,38)        172.2141         estimate D2E/DX2                !
 ! D153  D(45,27,28,29)        178.4766         estimate D2E/DX2                !
 ! D154  D(45,27,28,38)         -9.7578         estimate D2E/DX2                !
 ! D155  D(26,27,45,44)          3.517          estimate D2E/DX2                !
 ! D156  D(26,27,45,86)       -175.1496         estimate D2E/DX2                !
 ! D157  D(28,27,45,44)       -174.1065         estimate D2E/DX2                !
 ! D158  D(28,27,45,86)          7.227          estimate D2E/DX2                !
 ! D159  D(27,28,29,24)         -1.2827         estimate D2E/DX2                !
 ! D160  D(27,28,29,41)        175.2828         estimate D2E/DX2                !
 ! D161  D(38,28,29,24)       -173.8734         estimate D2E/DX2                !
 ! D162  D(38,28,29,41)          2.6921         estimate D2E/DX2                !
 ! D163  D(27,28,38,39)       -174.7165         estimate D2E/DX2                !
 ! D164  D(27,28,38,79)          8.8141         estimate D2E/DX2                !
 ! D165  D(29,28,38,39)         -4.0545         estimate D2E/DX2                !
 ! D166  D(29,28,38,79)        179.4762         estimate D2E/DX2                !
 ! D167  D(24,29,41,40)        179.1765         estimate D2E/DX2                !
 ! D168  D(24,29,41,82)        -17.569          estimate D2E/DX2                !
 ! D169  D(28,29,41,40)          3.3628         estimate D2E/DX2                !
 ! D170  D(28,29,41,82)        166.6173         estimate D2E/DX2                !
 ! D171  D(23,30,31,32)         -3.2292         estimate D2E/DX2                !
 ! D172  D(23,30,31,53)       -177.2577         estimate D2E/DX2                !
 ! D173  D(50,30,31,32)       -176.2438         estimate D2E/DX2                !
 ! D174  D(50,30,31,53)          9.7277         estimate D2E/DX2                !
 ! D175  D(23,30,50,51)        175.5083         estimate D2E/DX2                !
 ! D176  D(23,30,50,91)         -4.6479         estimate D2E/DX2                !
 ! D177  D(31,30,50,51)        -12.5468         estimate D2E/DX2                !
 ! D178  D(31,30,50,91)        167.2971         estimate D2E/DX2                !
 ! D179  D(30,31,32,33)          1.6249         estimate D2E/DX2                !
 ! D180  D(30,31,32,46)       -174.7821         estimate D2E/DX2                !
 ! D181  D(53,31,32,33)        175.6373         estimate D2E/DX2                !
 ! D182  D(53,31,32,46)         -0.7696         estimate D2E/DX2                !
 ! D183  D(30,31,53,52)         -0.1783         estimate D2E/DX2                !
 ! D184  D(30,31,53,94)        179.7147         estimate D2E/DX2                !
 ! D185  D(32,31,53,52)       -172.8314         estimate D2E/DX2                !
 ! D186  D(32,31,53,94)          7.0617         estimate D2E/DX2                !
 ! D187  D(31,32,33,23)          0.2728         estimate D2E/DX2                !
 ! D188  D(31,32,33,49)       -171.8458         estimate D2E/DX2                !
 ! D189  D(46,32,33,23)        177.1233         estimate D2E/DX2                !
 ! D190  D(46,32,33,49)          5.0048         estimate D2E/DX2                !
 ! D191  D(31,32,46,47)        168.4455         estimate D2E/DX2                !
 ! D192  D(31,32,46,87)         -4.3386         estimate D2E/DX2                !
 ! D193  D(33,32,46,47)         -7.4413         estimate D2E/DX2                !
 ! D194  D(33,32,46,87)        179.7746         estimate D2E/DX2                !
 ! D195  D(23,33,49,48)       -169.4332         estimate D2E/DX2                !
 ! D196  D(23,33,49,90)          0.6309         estimate D2E/DX2                !
 ! D197  D(32,33,49,48)          1.0666         estimate D2E/DX2                !
 ! D198  D(32,33,49,90)        171.1307         estimate D2E/DX2                !
 ! D199  D(25,34,35,36)          0.6045         estimate D2E/DX2                !
 ! D200  D(25,34,35,61)        177.9925         estimate D2E/DX2                !
 ! D201  D(58,34,35,36)        169.4496         estimate D2E/DX2                !
 ! D202  D(58,34,35,61)        -13.1624         estimate D2E/DX2                !
 ! D203  D(25,34,58,59)        165.3654         estimate D2E/DX2                !
 ! D204  D(25,34,58,99)         -3.7003         estimate D2E/DX2                !
 ! D205  D(35,34,58,59)         -0.8357         estimate D2E/DX2                !
 ! D206  D(35,34,58,99)       -169.9014         estimate D2E/DX2                !
 ! D207  D(34,35,36,37)         -1.6627         estimate D2E/DX2                !
 ! D208  D(34,35,36,54)       -176.7147         estimate D2E/DX2                !
 ! D209  D(61,35,36,37)       -179.0726         estimate D2E/DX2                !
 ! D210  D(61,35,36,54)          5.8754         estimate D2E/DX2                !
 ! D211  D(34,35,61,60)         19.5643         estimate D2E/DX2                !
 ! D212  D(34,35,61,102)      -176.4928         estimate D2E/DX2                !
 ! D213  D(36,35,61,60)       -163.6183         estimate D2E/DX2                !
 ! D214  D(36,35,61,102)         0.3246         estimate D2E/DX2                !
 ! D215  D(35,36,37,25)          2.1577         estimate D2E/DX2                !
 ! D216  D(35,36,37,57)        177.5585         estimate D2E/DX2                !
 ! D217  D(54,36,37,25)        178.0513         estimate D2E/DX2                !
 ! D218  D(54,36,37,57)         -6.548          estimate D2E/DX2                !
 ! D219  D(35,36,54,55)        174.8352         estimate D2E/DX2                !
 ! D220  D(35,36,54,95)        -13.7916         estimate D2E/DX2                !
 ! D221  D(37,36,54,55)          0.1582         estimate D2E/DX2                !
 ! D222  D(37,36,54,95)        171.5314         estimate D2E/DX2                !
 ! D223  D(25,37,57,56)       -179.1133         estimate D2E/DX2                !
 ! D224  D(25,37,57,98)          4.1814         estimate D2E/DX2                !
 ! D225  D(36,37,57,56)          7.2889         estimate D2E/DX2                !
 ! D226  D(36,37,57,98)       -169.4164         estimate D2E/DX2                !
 ! D227  D(28,38,39,40)         -0.2929         estimate D2E/DX2                !
 ! D228  D(28,38,39,80)       -175.8668         estimate D2E/DX2                !
 ! D229  D(79,38,39,40)        176.2879         estimate D2E/DX2                !
 ! D230  D(79,38,39,80)          0.7139         estimate D2E/DX2                !
 ! D231  D(38,39,40,41)          5.3184         estimate D2E/DX2                !
 ! D232  D(38,39,40,81)       -174.5945         estimate D2E/DX2                !
 ! D233  D(80,39,40,41)       -179.0585         estimate D2E/DX2                !
 ! D234  D(80,39,40,81)          1.0286         estimate D2E/DX2                !
 ! D235  D(39,40,41,29)         -6.9177         estimate D2E/DX2                !
 ! D236  D(39,40,41,82)       -172.2505         estimate D2E/DX2                !
 ! D237  D(81,40,41,29)        172.9945         estimate D2E/DX2                !
 ! D238  D(81,40,41,82)          7.6617         estimate D2E/DX2                !
 ! D239  D(26,42,43,44)         -7.0792         estimate D2E/DX2                !
 ! D240  D(26,42,43,84)        173.9191         estimate D2E/DX2                !
 ! D241  D(83,42,43,44)        169.8053         estimate D2E/DX2                !
 ! D242  D(83,42,43,84)         -9.1964         estimate D2E/DX2                !
 ! D243  D(42,43,44,45)          7.2389         estimate D2E/DX2                !
 ! D244  D(42,43,44,85)       -178.3992         estimate D2E/DX2                !
 ! D245  D(84,43,44,45)       -173.9098         estimate D2E/DX2                !
 ! D246  D(84,43,44,85)          0.4521         estimate D2E/DX2                !
 ! D247  D(43,44,45,27)         -5.4306         estimate D2E/DX2                !
 ! D248  D(43,44,45,86)        173.3435         estimate D2E/DX2                !
 ! D249  D(85,44,45,27)       -179.3807         estimate D2E/DX2                !
 ! D250  D(85,44,45,86)         -0.6066         estimate D2E/DX2                !
 ! D251  D(32,46,47,48)          3.6258         estimate D2E/DX2                !
 ! D252  D(32,46,47,88)       -178.6311         estimate D2E/DX2                !
 ! D253  D(87,46,47,48)        176.9657         estimate D2E/DX2                !
 ! D254  D(87,46,47,88)         -5.2912         estimate D2E/DX2                !
 ! D255  D(46,47,48,49)          2.3451         estimate D2E/DX2                !
 ! D256  D(46,47,48,89)        175.6737         estimate D2E/DX2                !
 ! D257  D(88,47,48,49)       -175.158          estimate D2E/DX2                !
 ! D258  D(88,47,48,89)         -1.8293         estimate D2E/DX2                !
 ! D259  D(47,48,49,33)         -4.7802         estimate D2E/DX2                !
 ! D260  D(47,48,49,90)       -175.0512         estimate D2E/DX2                !
 ! D261  D(89,48,49,33)       -178.0836         estimate D2E/DX2                !
 ! D262  D(89,48,49,90)         11.6454         estimate D2E/DX2                !
 ! D263  D(30,50,51,52)          6.7879         estimate D2E/DX2                !
 ! D264  D(30,50,51,92)       -176.9184         estimate D2E/DX2                !
 ! D265  D(91,50,51,52)       -173.0818         estimate D2E/DX2                !
 ! D266  D(91,50,51,92)          3.212          estimate D2E/DX2                !
 ! D267  D(50,51,52,53)          3.3985         estimate D2E/DX2                !
 ! D268  D(50,51,52,93)       -175.1602         estimate D2E/DX2                !
 ! D269  D(92,51,52,53)       -173.4702         estimate D2E/DX2                !
 ! D270  D(92,51,52,93)          7.9711         estimate D2E/DX2                !
 ! D271  D(51,52,53,31)         -6.5339         estimate D2E/DX2                !
 ! D272  D(51,52,53,94)        173.5765         estimate D2E/DX2                !
 ! D273  D(93,52,53,31)        172.0414         estimate D2E/DX2                !
 ! D274  D(93,52,53,94)         -7.8483         estimate D2E/DX2                !
 ! D275  D(36,54,55,56)          6.0566         estimate D2E/DX2                !
 ! D276  D(36,54,55,96)        177.2378         estimate D2E/DX2                !
 ! D277  D(95,54,55,56)       -166.2003         estimate D2E/DX2                !
 ! D278  D(95,54,55,96)          4.981          estimate D2E/DX2                !
 ! D279  D(54,55,56,57)         -5.2593         estimate D2E/DX2                !
 ! D280  D(54,55,56,97)        169.2071         estimate D2E/DX2                !
 ! D281  D(96,55,56,57)       -177.4819         estimate D2E/DX2                !
 ! D282  D(96,55,56,97)         -3.0155         estimate D2E/DX2                !
 ! D283  D(55,56,57,37)         -1.2878         estimate D2E/DX2                !
 ! D284  D(55,56,57,98)        175.6499         estimate D2E/DX2                !
 ! D285  D(97,56,57,37)       -175.9895         estimate D2E/DX2                !
 ! D286  D(97,56,57,98)          0.9482         estimate D2E/DX2                !
 ! D287  D(34,58,59,60)          5.1541         estimate D2E/DX2                !
 ! D288  D(34,58,59,100)      -178.8171         estimate D2E/DX2                !
 ! D289  D(99,58,59,60)        175.4699         estimate D2E/DX2                !
 ! D290  D(99,58,59,100)        -8.5013         estimate D2E/DX2                !
 ! D291  D(58,59,60,61)          3.2763         estimate D2E/DX2                !
 ! D292  D(58,59,60,101)       179.0396         estimate D2E/DX2                !
 ! D293  D(100,59,60,61)      -172.8026         estimate D2E/DX2                !
 ! D294  D(100,59,60,101)        2.9607         estimate D2E/DX2                !
 ! D295  D(59,60,61,35)        -14.1571         estimate D2E/DX2                !
 ! D296  D(59,60,61,102)      -179.3143         estimate D2E/DX2                !
 ! D297  D(101,60,61,35)       170.0103         estimate D2E/DX2                !
 ! D298  D(101,60,61,102)        4.853          estimate D2E/DX2                !
 ! D299  D(15,63,64,66)        124.6899         estimate D2E/DX2                !
 ! D300  D(62,63,64,66)         -5.1203         estimate D2E/DX2                !
 ! D301  D(65,63,64,66)       -102.8405         estimate D2E/DX2                !
 ! D302  D(15,63,65,68)         80.3913         estimate D2E/DX2                !
 ! D303  D(62,63,65,68)       -153.4538         estimate D2E/DX2                !
 ! D304  D(64,63,65,68)        -46.032          estimate D2E/DX2                !
 ! D305  D(63,64,66,67)       -153.5645         estimate D2E/DX2                !
 ! D306  D(63,64,66,103)       -36.687          estimate D2E/DX2                !
 ! D307  D(63,64,66,104)        83.1962         estimate D2E/DX2                !
 ! D308  D(63,65,68,69)       -172.1616         estimate D2E/DX2                !
 ! D309  D(63,65,68,108)       -59.0206         estimate D2E/DX2                !
 ! D310  D(63,65,68,109)        58.8847         estimate D2E/DX2                !
 ! D311  D(64,66,67,105)      -167.149          estimate D2E/DX2                !
 ! D312  D(64,66,67,106)       -44.9503         estimate D2E/DX2                !
 ! D313  D(64,66,67,107)        69.6889         estimate D2E/DX2                !
 ! D314  D(103,66,67,105)       76.3287         estimate D2E/DX2                !
 ! D315  D(103,66,67,106)     -161.4726         estimate D2E/DX2                !
 ! D316  D(103,66,67,107)      -46.8335         estimate D2E/DX2                !
 ! D317  D(104,66,67,105)      -43.7229         estimate D2E/DX2                !
 ! D318  D(104,66,67,106)       78.4758         estimate D2E/DX2                !
 ! D319  D(104,66,67,107)     -166.885          estimate D2E/DX2                !
 ! D320  D(64,66,103,113)      -47.5331         estimate D2E/DX2                !
 ! D321  D(67,66,103,113)       70.8033         estimate D2E/DX2                !
 ! D322  D(104,66,103,113)    -168.3865         estimate D2E/DX2                !
 ! D323  D(65,68,69,110)      -155.119          estimate D2E/DX2                !
 ! D324  D(65,68,69,111)       -37.1083         estimate D2E/DX2                !
 ! D325  D(65,68,69,112)        78.2898         estimate D2E/DX2                !
 ! D326  D(108,68,69,110)       94.3665         estimate D2E/DX2                !
 ! D327  D(108,68,69,111)     -147.6228         estimate D2E/DX2                !
 ! D328  D(108,68,69,112)      -32.2247         estimate D2E/DX2                !
 ! D329  D(109,68,69,110)      -34.5848         estimate D2E/DX2                !
 ! D330  D(109,68,69,111)       83.4259         estimate D2E/DX2                !
 ! D331  D(109,68,69,112)     -161.176          estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=    678 maximum allowed number of steps=    678.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.383855    3.307963    0.178715
      2          6           0       -2.532244    1.984850    0.060140
      3          6           0       -1.621807    1.012294    0.047325
      4          6           0       -0.321996    1.394947   -0.050571
      5          6           0       -0.128662    2.695194    0.168980
      6          6           0       -1.092059    3.608827    0.316327
      7          6           0       -1.874263   -0.288122   -0.037567
      8          6           0       -0.811974   -1.145417   -0.210069
      9          6           0        0.495522   -0.867002   -0.175515
     10          6           0        0.660620    0.508407   -0.174516
     11          6           0       -3.095313   -0.834075   -0.068633
     12          6           0       -3.435584   -2.113455   -0.261452
     13          6           0       -2.387429   -2.848280   -0.628182
     14          6           0       -1.074997   -2.422376   -0.620465
     15          7           0        1.624161   -1.567224   -0.080705
     16          6           0        2.792623   -0.984867   -0.223241
     17          6           0        2.797603    0.318494   -0.312862
     18          7           0        1.778171    1.022687   -0.263556
     19          6           0        3.977987   -1.570536   -0.536544
     20          6           0        5.179890   -0.961871   -0.543282
     21          6           0        5.197437    0.375285   -0.512574
     22          6           0        3.965236    0.946658   -0.491821
     23          7           0       -3.358741    4.172613    0.109394
     24          7           0       -4.556931   -2.732107   -0.210295
     25          7           0        6.376686    0.947411   -0.553623
     26          6           0       -4.751635   -3.988341    0.198484
     27          6           0       -6.095177   -4.267267    0.152716
     28          6           0       -6.669225   -3.147728   -0.300689
     29          6           0       -5.695379   -2.278734   -0.511619
     30          6           0       -3.450051    5.361808    0.641601
     31          6           0       -4.527217    6.029184    0.405413
     32          6           0       -5.216260    5.249305   -0.423365
     33          6           0       -4.452873    4.126569   -0.573023
     34          6           0        6.591032    2.118952   -0.122699
     35          6           0        7.846968    2.482928   -0.317001
     36          6           0        8.397642    1.457423   -0.912870
     37          6           0        7.479286    0.487951   -1.032422
     38          6           0       -7.942521   -2.905777   -0.669337
     39          6           0       -8.188903   -1.741035   -1.171792
     40          6           0       -7.287981   -0.723647   -1.363174
     41          6           0       -6.057882   -1.113236   -1.065859
     42          6           0       -4.038552   -4.966300    0.728673
     43          6           0       -4.558166   -6.139114    1.088916
     44          6           0       -5.900986   -6.315502    1.048530
     45          6           0       -6.672205   -5.371783    0.515405
     46          6           0       -6.365782    5.432128   -1.088042
     47          6           0       -6.741622    4.542173   -2.073693
     48          6           0       -5.925857    3.471736   -2.249743
     49          6           0       -4.853514    3.244197   -1.503656
     50          6           0       -2.651113    5.955563    1.531132
     51          6           0       -2.858517    7.227260    1.898283
     52          6           0       -3.914565    7.931785    1.523270
     53          6           0       -4.823511    7.285597    0.800738
     54          6           0        9.655058    1.195779   -1.313768
     55          6           0       10.072651    0.064020   -1.821349
     56          6           0        9.166584   -0.863586   -2.067149
     57          6           0        7.887770   -0.653571   -1.692159
     58          6           0        5.855113    2.913684    0.673396
     59          6           0        6.419599    4.025240    1.249459
     60          6           0        7.674535    4.296892    0.877181
     61          6           0        8.420467    3.659181   -0.024606
     62          8           0        0.378045   -3.689739    1.228791
     63         15           0        1.566642   -3.260214    0.441391
     64          8           0        2.918337   -3.717765    1.341485
     65          8           0        1.458209   -4.573468   -0.679454
     66          6           0        2.738032   -4.267025    2.613079
     67          6           0        3.935714   -4.011500    3.450200
     68          6           0        2.624358   -5.043396   -1.352921
     69          6           0        2.112298   -6.034707   -2.369514
     70          1           0       -3.613653    1.712334    0.235540
     71          1           0        0.886137    3.175377    0.205262
     72          1           0       -0.638794    4.661941    0.404669
     73          1           0       -3.903657   -0.187592    0.150165
     74          1           0       -2.554928   -3.930211   -0.974622
     75          1           0       -0.508043   -3.226413   -1.086521
     76          1           0        4.073262   -2.666455   -0.479533
     77          1           0        5.950114   -1.650615   -0.483657
     78          1           0        4.047144    1.976516   -0.598893
     79          1           0       -8.751834   -3.613858   -0.509973
     80          1           0       -9.262333   -1.501904   -1.417179
     81          1           0       -7.570740    0.326616   -1.731708
     82          1           0       -5.403655   -0.232248   -1.100630
     83          1           0       -2.894962   -4.764882    0.939732
     84          1           0       -3.799008   -6.873590    1.414337
     85          1           0       -6.278573   -7.290725    1.381185
     86          1           0       -7.733834   -5.596318    0.399610
     87          1           0       -7.035637    6.377106   -0.975341
     88          1           0       -7.694066    4.748473   -2.614767
     89          1           0       -6.240238    2.680190   -2.997845
     90          1           0       -4.193015    2.377267   -1.780404
     91          1           0       -1.745742    5.521537    2.078164
     92          1           0       -2.246271    7.826037    2.577094
     93          1           0       -4.027464    8.967890    1.762717
     94          1           0       -5.778354    7.728785    0.522093
     95          1           0       10.457062    1.988887   -1.380401
     96          1           0       11.095053   -0.162817   -2.199116
     97          1           0        9.398728   -1.787813   -2.659357
     98          1           0        7.169207   -1.456036   -2.006042
     99          1           0        4.867717    2.681918    1.057443
    100          1           0        5.873775    4.679313    1.908063
    101          1           0        8.129045    5.171089    1.303989
    102          1           0        9.465724    3.978443   -0.239552
    103          1           0        1.845481   -3.718002    3.098492
    104          1           0        2.515341   -5.382550    2.552379
    105          1           0        3.929053   -4.605849    4.356027
    106          1           0        4.889974   -4.246119    2.806515
    107          1           0        3.978675   -2.910293    3.682433
    108          1           0        2.992966   -4.161037   -1.899236
    109          1           0        3.352408   -5.365941   -0.564560
    110          1           0        2.866001   -6.814563   -2.682480
    111          1           0        1.292654   -6.585563   -1.955730
    112          1           0        1.667923   -5.529978   -3.293712
    113         17           0        1.605029   -0.678539    3.072829
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0369913           0.0203229           0.0142074
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10985.6830156090 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  8.98D-05  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 EnCoef did     4 forward-backward iterations
 EnCoef did     3 forward-backward iterations
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3612.68385641     A.U. after   30 cycles
            NFock= 30  Conv=0.52D-08     -V/T= 2.0041
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.37489 -77.26104 -19.19235 -19.17981 -19.10025
 Alpha  occ. eigenvalues --  -14.46307 -14.40670 -14.40065 -14.39987 -14.33792
 Alpha  occ. eigenvalues --  -10.28210 -10.25989 -10.25774 -10.24544 -10.24375
 Alpha  occ. eigenvalues --  -10.24365 -10.23990 -10.22897 -10.22555 -10.21830
 Alpha  occ. eigenvalues --  -10.21801 -10.21734 -10.21731 -10.21543 -10.21368
 Alpha  occ. eigenvalues --  -10.21277 -10.21132 -10.21098 -10.20771 -10.20648
 Alpha  occ. eigenvalues --  -10.20215 -10.20182 -10.19962 -10.19797 -10.19774
 Alpha  occ. eigenvalues --  -10.19743 -10.19289 -10.19156 -10.19084 -10.19032
 Alpha  occ. eigenvalues --  -10.18983 -10.18977 -10.18748 -10.18562 -10.18465
 Alpha  occ. eigenvalues --  -10.18452 -10.18342 -10.18320 -10.18278 -10.18222
 Alpha  occ. eigenvalues --  -10.18131 -10.18110 -10.18028 -10.17970 -10.17799
 Alpha  occ. eigenvalues --  -10.17785 -10.17741 -10.17723 -10.17595 -10.17315
 Alpha  occ. eigenvalues --  -10.17307 -10.17156 -10.17015 -10.16928 -10.16886
 Alpha  occ. eigenvalues --  -10.16747 -10.16592 -10.16496 -10.16486 -10.16464
 Alpha  occ. eigenvalues --   -9.28745  -7.04674  -7.04481  -7.04438  -6.70643
 Alpha  occ. eigenvalues --   -4.86986  -4.86969  -4.86851  -1.09543  -1.09353
 Alpha  occ. eigenvalues --   -1.09146  -1.08517  -1.06692  -1.03224  -1.00785
 Alpha  occ. eigenvalues --   -0.96057  -0.95305  -0.93244  -0.92981  -0.91789
 Alpha  occ. eigenvalues --   -0.89666  -0.89305  -0.88951  -0.88430  -0.88108
 Alpha  occ. eigenvalues --   -0.86476  -0.84536  -0.84062  -0.82640  -0.81670
 Alpha  occ. eigenvalues --   -0.80896  -0.79368  -0.78778  -0.78700  -0.78126
 Alpha  occ. eigenvalues --   -0.77749  -0.77460  -0.76882  -0.75731  -0.75599
 Alpha  occ. eigenvalues --   -0.75007  -0.74685  -0.74026  -0.73541  -0.73428
 Alpha  occ. eigenvalues --   -0.72877  -0.71779  -0.70821  -0.69540  -0.68751
 Alpha  occ. eigenvalues --   -0.67538  -0.66520  -0.65989  -0.65280  -0.64445
 Alpha  occ. eigenvalues --   -0.64295  -0.63947  -0.63677  -0.63405  -0.62679
 Alpha  occ. eigenvalues --   -0.62512  -0.61813  -0.61058  -0.60749  -0.60113
 Alpha  occ. eigenvalues --   -0.59537  -0.58606  -0.58349  -0.58315  -0.57997
 Alpha  occ. eigenvalues --   -0.57370  -0.56333  -0.55823  -0.55026  -0.54669
 Alpha  occ. eigenvalues --   -0.54043  -0.53641  -0.53425  -0.52829  -0.52523
 Alpha  occ. eigenvalues --   -0.52217  -0.52000  -0.51784  -0.51388  -0.51227
 Alpha  occ. eigenvalues --   -0.50777  -0.50610  -0.49569  -0.49435  -0.49051
 Alpha  occ. eigenvalues --   -0.48955  -0.48871  -0.48488  -0.47562  -0.47148
 Alpha  occ. eigenvalues --   -0.46919  -0.46791  -0.46162  -0.45895  -0.45594
 Alpha  occ. eigenvalues --   -0.45376  -0.45168  -0.44646  -0.44399  -0.44200
 Alpha  occ. eigenvalues --   -0.44110  -0.43682  -0.43488  -0.43382  -0.43290
 Alpha  occ. eigenvalues --   -0.43237  -0.42964  -0.42782  -0.42477  -0.42294
 Alpha  occ. eigenvalues --   -0.41996  -0.41765  -0.41471  -0.41298  -0.40909
 Alpha  occ. eigenvalues --   -0.40312  -0.40078  -0.40033  -0.39616  -0.39040
 Alpha  occ. eigenvalues --   -0.38892  -0.38620  -0.38436  -0.38340  -0.38123
 Alpha  occ. eigenvalues --   -0.37992  -0.37606  -0.37335  -0.37253  -0.37066
 Alpha  occ. eigenvalues --   -0.36900  -0.36564  -0.36453  -0.36307  -0.35863
 Alpha  occ. eigenvalues --   -0.35594  -0.35400  -0.34543  -0.34475  -0.34381
 Alpha  occ. eigenvalues --   -0.33429  -0.33372  -0.32967  -0.32800  -0.32456
 Alpha  occ. eigenvalues --   -0.32237  -0.32015  -0.31688  -0.30425  -0.30254
 Alpha  occ. eigenvalues --   -0.30004  -0.29819  -0.29462  -0.28618  -0.28080
 Alpha  occ. eigenvalues --   -0.27837  -0.27295  -0.27099  -0.26637  -0.26550
 Alpha  occ. eigenvalues --   -0.26460  -0.25749  -0.24262  -0.22732  -0.22276
 Alpha  occ. eigenvalues --   -0.22171  -0.21929  -0.21051  -0.20884  -0.17047
 Alpha  occ. eigenvalues --   -0.16871  -0.16536
 Alpha virt. eigenvalues --   -0.13227  -0.06516  -0.05397  -0.04925  -0.03182
 Alpha virt. eigenvalues --   -0.02823  -0.02615  -0.02409  -0.01367  -0.00168
 Alpha virt. eigenvalues --    0.00876   0.00925   0.01232   0.02303   0.03366
 Alpha virt. eigenvalues --    0.04165   0.04711   0.05080   0.05489   0.05673
 Alpha virt. eigenvalues --    0.05866   0.06211   0.07131   0.07841   0.08024
 Alpha virt. eigenvalues --    0.08382   0.08829   0.09092   0.09333   0.09656
 Alpha virt. eigenvalues --    0.09743   0.09948   0.10110   0.10676   0.10852
 Alpha virt. eigenvalues --    0.11471   0.12037   0.12450   0.12519   0.12891
 Alpha virt. eigenvalues --    0.13400   0.14067   0.14195   0.14586   0.14852
 Alpha virt. eigenvalues --    0.14987   0.15324   0.15532   0.16322   0.16544
 Alpha virt. eigenvalues --    0.16652   0.16878   0.17292   0.17542   0.17619
 Alpha virt. eigenvalues --    0.17784   0.18123   0.18439   0.18571   0.18792
 Alpha virt. eigenvalues --    0.19068   0.19110   0.19274   0.19753   0.19918
 Alpha virt. eigenvalues --    0.19930   0.20397   0.20624   0.20972   0.21242
 Alpha virt. eigenvalues --    0.21412   0.21778   0.22169   0.22335   0.22655
 Alpha virt. eigenvalues --    0.22858   0.23052   0.23226   0.23318   0.23480
 Alpha virt. eigenvalues --    0.23981   0.24438   0.25149   0.25559   0.25740
 Alpha virt. eigenvalues --    0.26219   0.26844   0.26984   0.27178   0.27640
 Alpha virt. eigenvalues --    0.27706   0.28366   0.28750   0.28987   0.29392
 Alpha virt. eigenvalues --    0.29730   0.29979   0.30052   0.30897   0.31110
 Alpha virt. eigenvalues --    0.31602   0.31640   0.32093   0.32189   0.32692
 Alpha virt. eigenvalues --    0.33420   0.33611   0.33940   0.34143   0.34175
 Alpha virt. eigenvalues --    0.34352   0.34573   0.34721   0.35785   0.36447
 Alpha virt. eigenvalues --    0.36899   0.37568   0.38197   0.38465   0.38529
 Alpha virt. eigenvalues --    0.39242   0.39849   0.40074   0.40463   0.40912
 Alpha virt. eigenvalues --    0.41181   0.41841   0.41995   0.42567   0.43018
 Alpha virt. eigenvalues --    0.43121   0.43488   0.44311   0.44543   0.45300
 Alpha virt. eigenvalues --    0.45406   0.45539   0.45802   0.46196   0.46332
 Alpha virt. eigenvalues --    0.46678   0.47406   0.47923   0.48322   0.48581
 Alpha virt. eigenvalues --    0.48829   0.49211   0.49374   0.49637   0.50073
 Alpha virt. eigenvalues --    0.50274   0.50594   0.51081   0.51193   0.51293
 Alpha virt. eigenvalues --    0.51785   0.51953   0.52152   0.52545   0.52620
 Alpha virt. eigenvalues --    0.52672   0.52832   0.52898   0.53249   0.53367
 Alpha virt. eigenvalues --    0.53529   0.53947   0.54200   0.54277   0.54671
 Alpha virt. eigenvalues --    0.54989   0.55040   0.55135   0.55375   0.55618
 Alpha virt. eigenvalues --    0.55720   0.55799   0.55978   0.56107   0.56371
 Alpha virt. eigenvalues --    0.56432   0.56739   0.56987   0.57106   0.57295
 Alpha virt. eigenvalues --    0.57424   0.57616   0.58155   0.58249   0.58381
 Alpha virt. eigenvalues --    0.58649   0.58727   0.58935   0.59272   0.59390
 Alpha virt. eigenvalues --    0.59533   0.59650   0.59707   0.59893   0.60221
 Alpha virt. eigenvalues --    0.60363   0.60516   0.60655   0.60796   0.61010
 Alpha virt. eigenvalues --    0.61217   0.61335   0.61503   0.61731   0.61803
 Alpha virt. eigenvalues --    0.61928   0.62057   0.62240   0.62292   0.62462
 Alpha virt. eigenvalues --    0.62916   0.63048   0.63093   0.63238   0.63301
 Alpha virt. eigenvalues --    0.63517   0.63580   0.63845   0.64007   0.64082
 Alpha virt. eigenvalues --    0.64252   0.64365   0.64575   0.64614   0.64681
 Alpha virt. eigenvalues --    0.64976   0.65296   0.65355   0.65549   0.65745
 Alpha virt. eigenvalues --    0.66084   0.66373   0.66759   0.66900   0.67207
 Alpha virt. eigenvalues --    0.67541   0.67699   0.68174   0.68211   0.68509
 Alpha virt. eigenvalues --    0.68839   0.69206   0.69434   0.70025   0.70275
 Alpha virt. eigenvalues --    0.70467   0.70593   0.71301   0.71572   0.71715
 Alpha virt. eigenvalues --    0.71870   0.72195   0.72337   0.72494   0.72803
 Alpha virt. eigenvalues --    0.73026   0.73633   0.73863   0.74318   0.74831
 Alpha virt. eigenvalues --    0.75382   0.75417   0.75826   0.76254   0.76397
 Alpha virt. eigenvalues --    0.76942   0.77308   0.77560   0.77754   0.77845
 Alpha virt. eigenvalues --    0.78160   0.78449   0.78510   0.78721   0.79155
 Alpha virt. eigenvalues --    0.79765   0.79954   0.80151   0.80538   0.80694
 Alpha virt. eigenvalues --    0.81069   0.81174   0.81357   0.81722   0.81785
 Alpha virt. eigenvalues --    0.82006   0.82345   0.82528   0.82583   0.82755
 Alpha virt. eigenvalues --    0.83033   0.83265   0.83555   0.83631   0.83819
 Alpha virt. eigenvalues --    0.84057   0.84527   0.84733   0.85013   0.85082
 Alpha virt. eigenvalues --    0.85391   0.85620   0.85644   0.86010   0.86445
 Alpha virt. eigenvalues --    0.86689   0.86710   0.87059   0.87427   0.87580
 Alpha virt. eigenvalues --    0.87624   0.88090   0.88663   0.88907   0.89256
 Alpha virt. eigenvalues --    0.89333   0.89823   0.90227   0.90398   0.90664
 Alpha virt. eigenvalues --    0.91367   0.91789   0.92092   0.92347   0.92667
 Alpha virt. eigenvalues --    0.92923   0.93469   0.94236   0.94449   0.94529
 Alpha virt. eigenvalues --    0.94886   0.95510   0.95671   0.96190   0.96207
 Alpha virt. eigenvalues --    0.96309   0.96384   0.97593   0.97756   0.98047
 Alpha virt. eigenvalues --    0.98293   0.98593   0.99049   0.99196   0.99230
 Alpha virt. eigenvalues --    0.99573   1.00092   1.00401   1.00816   1.00912
 Alpha virt. eigenvalues --    1.01218   1.01477   1.01846   1.01973   1.02334
 Alpha virt. eigenvalues --    1.02479   1.02678   1.03227   1.03613   1.03931
 Alpha virt. eigenvalues --    1.04198   1.04348   1.04413   1.04556   1.04755
 Alpha virt. eigenvalues --    1.04881   1.05266   1.05504   1.05730   1.06217
 Alpha virt. eigenvalues --    1.06525   1.06864   1.07443   1.07661   1.08372
 Alpha virt. eigenvalues --    1.08824   1.09252   1.09662   1.09975   1.10343
 Alpha virt. eigenvalues --    1.10816   1.10986   1.11125   1.11764   1.12228
 Alpha virt. eigenvalues --    1.12383   1.13055   1.13490   1.13657   1.14015
 Alpha virt. eigenvalues --    1.14492   1.15014   1.15389   1.15444   1.16039
 Alpha virt. eigenvalues --    1.16358   1.16936   1.17197   1.17472   1.17805
 Alpha virt. eigenvalues --    1.18281   1.18632   1.19132   1.19547   1.19984
 Alpha virt. eigenvalues --    1.20149   1.20274   1.20339   1.20943   1.21230
 Alpha virt. eigenvalues --    1.21744   1.22150   1.22312   1.22404   1.22822
 Alpha virt. eigenvalues --    1.23955   1.24574   1.24829   1.25172   1.25531
 Alpha virt. eigenvalues --    1.25892   1.26228   1.26579   1.27002   1.27091
 Alpha virt. eigenvalues --    1.27643   1.28491   1.28570   1.29621   1.29690
 Alpha virt. eigenvalues --    1.29844   1.29970   1.30547   1.30780   1.30993
 Alpha virt. eigenvalues --    1.31233   1.31550   1.32227   1.32818   1.33072
 Alpha virt. eigenvalues --    1.33289   1.33980   1.34089   1.34705   1.35048
 Alpha virt. eigenvalues --    1.35404   1.35758   1.36528   1.36790   1.37027
 Alpha virt. eigenvalues --    1.37432   1.37704   1.38362   1.38419   1.38710
 Alpha virt. eigenvalues --    1.39023   1.39401   1.39594   1.40037   1.40089
 Alpha virt. eigenvalues --    1.40811   1.40980   1.41235   1.41563   1.42183
 Alpha virt. eigenvalues --    1.42402   1.42523   1.43060   1.43631   1.43850
 Alpha virt. eigenvalues --    1.44440   1.44478   1.44741   1.45016   1.45373
 Alpha virt. eigenvalues --    1.45763   1.46078   1.46797   1.46870   1.47645
 Alpha virt. eigenvalues --    1.47984   1.48065   1.48254   1.48892   1.49134
 Alpha virt. eigenvalues --    1.49465   1.50564   1.50678   1.51765   1.52128
 Alpha virt. eigenvalues --    1.52815   1.53461   1.54100   1.54829   1.55344
 Alpha virt. eigenvalues --    1.56167   1.56491   1.56836   1.57573   1.58399
 Alpha virt. eigenvalues --    1.58697   1.59316   1.60494   1.60728   1.60919
 Alpha virt. eigenvalues --    1.61422   1.61458   1.62594   1.62846   1.64282
 Alpha virt. eigenvalues --    1.65072   1.65346   1.65437   1.65753   1.66753
 Alpha virt. eigenvalues --    1.67213   1.67490   1.68515   1.68639   1.69057
 Alpha virt. eigenvalues --    1.69811   1.70165   1.70941   1.72146   1.73084
 Alpha virt. eigenvalues --    1.73362   1.73736   1.74221   1.74583   1.74864
 Alpha virt. eigenvalues --    1.75051   1.76002   1.76895   1.77699   1.77928
 Alpha virt. eigenvalues --    1.78275   1.78784   1.79104   1.79364   1.79979
 Alpha virt. eigenvalues --    1.80170   1.80314   1.80624   1.80815   1.81168
 Alpha virt. eigenvalues --    1.81545   1.82273   1.82575   1.83148   1.83375
 Alpha virt. eigenvalues --    1.83893   1.84055   1.84649   1.85198   1.85341
 Alpha virt. eigenvalues --    1.85633   1.86006   1.86290   1.86455   1.86827
 Alpha virt. eigenvalues --    1.87264   1.87503   1.87728   1.88184   1.88385
 Alpha virt. eigenvalues --    1.88879   1.89217   1.89364   1.89772   1.89827
 Alpha virt. eigenvalues --    1.90171   1.90479   1.90912   1.91071   1.91359
 Alpha virt. eigenvalues --    1.92083   1.92208   1.92578   1.92821   1.93252
 Alpha virt. eigenvalues --    1.93512   1.93790   1.93889   1.94037   1.94382
 Alpha virt. eigenvalues --    1.94567   1.94767   1.95088   1.95591   1.95836
 Alpha virt. eigenvalues --    1.95999   1.96496   1.96928   1.97201   1.97819
 Alpha virt. eigenvalues --    1.98158   1.98409   1.98647   1.99107   1.99415
 Alpha virt. eigenvalues --    1.99624   1.99903   2.00322   2.00968   2.01135
 Alpha virt. eigenvalues --    2.01379   2.01976   2.02236   2.02755   2.02940
 Alpha virt. eigenvalues --    2.02996   2.03302   2.03532   2.03587   2.04094
 Alpha virt. eigenvalues --    2.04112   2.04505   2.04629   2.04871   2.05259
 Alpha virt. eigenvalues --    2.05451   2.05749   2.05993   2.06302   2.06483
 Alpha virt. eigenvalues --    2.06933   2.07525   2.07654   2.08462   2.08928
 Alpha virt. eigenvalues --    2.09542   2.09876   2.10061   2.10607   2.11223
 Alpha virt. eigenvalues --    2.11629   2.11734   2.12046   2.12745   2.12889
 Alpha virt. eigenvalues --    2.13635   2.13993   2.14261   2.14746   2.14823
 Alpha virt. eigenvalues --    2.15435   2.15808   2.15987   2.16119   2.16669
 Alpha virt. eigenvalues --    2.17237   2.17500   2.18126   2.18509   2.19250
 Alpha virt. eigenvalues --    2.19677   2.19791   2.20608   2.20879   2.21246
 Alpha virt. eigenvalues --    2.21351   2.21574   2.21900   2.22338   2.22523
 Alpha virt. eigenvalues --    2.22774   2.23275   2.23615   2.23792   2.24334
 Alpha virt. eigenvalues --    2.24768   2.25117   2.25601   2.26170   2.26807
 Alpha virt. eigenvalues --    2.26971   2.27517   2.28468   2.28860   2.29178
 Alpha virt. eigenvalues --    2.29421   2.29659   2.29780   2.30553   2.30810
 Alpha virt. eigenvalues --    2.31359   2.31588   2.31979   2.32306   2.32379
 Alpha virt. eigenvalues --    2.32613   2.33012   2.33507   2.34019   2.34469
 Alpha virt. eigenvalues --    2.34827   2.35109   2.35623   2.35709   2.36123
 Alpha virt. eigenvalues --    2.36277   2.36629   2.36727   2.37202   2.37306
 Alpha virt. eigenvalues --    2.37554   2.37929   2.38051   2.38261   2.38538
 Alpha virt. eigenvalues --    2.38638   2.38832   2.39294   2.39405   2.39813
 Alpha virt. eigenvalues --    2.39868   2.40358   2.40741   2.41284   2.41582
 Alpha virt. eigenvalues --    2.41830   2.42054   2.42758   2.43234   2.43706
 Alpha virt. eigenvalues --    2.43954   2.44120   2.44358   2.44601   2.44861
 Alpha virt. eigenvalues --    2.45470   2.45987   2.46142   2.46295   2.46623
 Alpha virt. eigenvalues --    2.46850   2.47304   2.47611   2.47805   2.47897
 Alpha virt. eigenvalues --    2.48301   2.48630   2.48908   2.49589   2.49823
 Alpha virt. eigenvalues --    2.49984   2.50310   2.50493   2.50837   2.51247
 Alpha virt. eigenvalues --    2.51531   2.52029   2.52267   2.52483   2.53080
 Alpha virt. eigenvalues --    2.53124   2.53434   2.53584   2.53963   2.54304
 Alpha virt. eigenvalues --    2.54533   2.54890   2.55391   2.56556   2.56731
 Alpha virt. eigenvalues --    2.56992   2.57403   2.57550   2.58142   2.58386
 Alpha virt. eigenvalues --    2.59021   2.59377   2.59743   2.60055   2.60393
 Alpha virt. eigenvalues --    2.60579   2.60730   2.60846   2.61430   2.61853
 Alpha virt. eigenvalues --    2.62079   2.62393   2.62790   2.63162   2.63251
 Alpha virt. eigenvalues --    2.63969   2.64205   2.64479   2.65118   2.65254
 Alpha virt. eigenvalues --    2.65518   2.65674   2.66013   2.66034   2.66348
 Alpha virt. eigenvalues --    2.66621   2.67247   2.67869   2.68006   2.68176
 Alpha virt. eigenvalues --    2.68432   2.69049   2.69382   2.70097   2.70619
 Alpha virt. eigenvalues --    2.70983   2.71201   2.71464   2.72066   2.72336
 Alpha virt. eigenvalues --    2.72498   2.73091   2.73525   2.73628   2.73856
 Alpha virt. eigenvalues --    2.74075   2.74784   2.75393   2.75702   2.75845
 Alpha virt. eigenvalues --    2.76590   2.77972   2.78057   2.78390   2.78734
 Alpha virt. eigenvalues --    2.78870   2.79487   2.80592   2.81055   2.81475
 Alpha virt. eigenvalues --    2.81953   2.82870   2.83405   2.83988   2.84658
 Alpha virt. eigenvalues --    2.85250   2.85719   2.86028   2.86387   2.87541
 Alpha virt. eigenvalues --    2.87687   2.88080   2.88678   2.88996   2.89611
 Alpha virt. eigenvalues --    2.89841   2.90498   2.91426   2.91538   2.92741
 Alpha virt. eigenvalues --    2.93182   2.93226   2.93921   2.94155   2.95000
 Alpha virt. eigenvalues --    2.95371   2.95602   2.95966   2.96411   2.96565
 Alpha virt. eigenvalues --    2.97105   2.97611   2.97916   2.98154   2.99942
 Alpha virt. eigenvalues --    3.00966   3.01173   3.02325   3.02620   3.03593
 Alpha virt. eigenvalues --    3.04817   3.05064   3.06316   3.08278   3.09882
 Alpha virt. eigenvalues --    3.10513   3.11043   3.11476   3.13445   3.13706
 Alpha virt. eigenvalues --    3.15015   3.15425   3.15766   3.16125   3.18327
 Alpha virt. eigenvalues --    3.18813   3.19004   3.19587   3.19812   3.20020
 Alpha virt. eigenvalues --    3.20662   3.22457   3.22743   3.22818   3.23593
 Alpha virt. eigenvalues --    3.24708   3.24878   3.25025   3.25462   3.26715
 Alpha virt. eigenvalues --    3.28589   3.28724   3.29146   3.29834   3.30603
 Alpha virt. eigenvalues --    3.31082   3.32058   3.32437   3.32865   3.33505
 Alpha virt. eigenvalues --    3.35743   3.36949   3.38119   3.38732   3.40042
 Alpha virt. eigenvalues --    3.40284   3.41902   3.42196   3.43457   3.44540
 Alpha virt. eigenvalues --    3.45621   3.46218   3.46688   3.47837   3.48221
 Alpha virt. eigenvalues --    3.48661   3.48990   3.49696   3.50885   3.52532
 Alpha virt. eigenvalues --    3.54239   3.54391   3.56959   3.58718   3.60306
 Alpha virt. eigenvalues --    3.62425   3.65149   3.65504   3.65745   3.66792
 Alpha virt. eigenvalues --    3.67904   3.74907   3.78086   3.85954   3.89742
 Alpha virt. eigenvalues --    3.91210   3.92426   3.95207   3.97668   3.99545
 Alpha virt. eigenvalues --    4.00590   4.02206   4.03702   4.06312   4.13284
 Alpha virt. eigenvalues --    4.14673   4.15403   4.15732   4.15858   4.15934
 Alpha virt. eigenvalues --    4.17387   4.17859   4.18071   4.18221   4.18575
 Alpha virt. eigenvalues --    4.18765   4.19721   4.19836   4.20385   4.20939
 Alpha virt. eigenvalues --    4.21325   4.21454   4.21865   4.22324   4.22519
 Alpha virt. eigenvalues --    4.22703   4.24664   4.27201   4.27398   4.28658
 Alpha virt. eigenvalues --    4.29450   4.30434   4.30941   4.35759   4.37193
 Alpha virt. eigenvalues --    4.40695   4.41441   4.41710   4.41722   4.42636
 Alpha virt. eigenvalues --    4.46333   4.48770   4.51642   4.52285   4.52607
 Alpha virt. eigenvalues --    4.53678   4.56699   4.56817   4.58010   4.58153
 Alpha virt. eigenvalues --    4.58584   4.58972   4.60390   4.60846   4.61485
 Alpha virt. eigenvalues --    4.61549   4.63785   4.71567   4.74535   4.77140
 Alpha virt. eigenvalues --    4.78940   4.85644   4.89955   4.94612   4.97797
 Alpha virt. eigenvalues --    5.00618   5.05307   5.05484   5.06097   5.07743
 Alpha virt. eigenvalues --    5.18209
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.376498
     2  C   -0.256261
     3  C    0.069146
     4  C    0.042062
     5  C   -0.108193
     6  C   -0.112991
     7  C    0.231707
     8  C    0.064148
     9  C    0.439626
    10  C    0.213088
    11  C   -0.219555
    12  C    0.416497
    13  C   -0.222556
    14  C   -0.122334
    15  N   -0.801405
    16  C    0.469940
    17  C    0.266574
    18  N   -0.548899
    19  C   -0.186611
    20  C   -0.114832
    21  C    0.353187
    22  C   -0.157680
    23  N   -0.652885
    24  N   -0.682982
    25  N   -0.664285
    26  C    0.314495
    27  C    0.039476
    28  C    0.002512
    29  C    0.313338
    30  C    0.273351
    31  C    0.085381
    32  C    0.054571
    33  C    0.246332
    34  C    0.264259
    35  C    0.057867
    36  C    0.021779
    37  C    0.281946
    38  C   -0.075246
    39  C   -0.117336
    40  C   -0.087051
    41  C   -0.140201
    42  C   -0.141865
    43  C   -0.075439
    44  C   -0.122372
    45  C   -0.123170
    46  C   -0.166413
    47  C   -0.100091
    48  C   -0.107132
    49  C   -0.110875
    50  C   -0.156966
    51  C   -0.082522
    52  C   -0.095809
    53  C   -0.089241
    54  C   -0.159432
    55  C   -0.087392
    56  C   -0.092260
    57  C   -0.097530
    58  C   -0.140121
    59  C   -0.076823
    60  C   -0.091134
    61  C   -0.109462
    62  O   -0.552482
    63  P    1.323350
    64  O   -0.583111
    65  O   -0.514007
    66  C    0.055952
    67  C   -0.328520
    68  C    0.038363
    69  C   -0.342634
    70  H    0.108484
    71  H    0.115229
    72  H    0.103094
    73  H    0.103609
    74  H    0.111704
    75  H    0.145116
    76  H    0.103420
    77  H    0.132008
    78  H    0.112539
    79  H    0.086616
    80  H    0.058089
    81  H    0.103604
    82  H    0.072132
    83  H    0.124887
    84  H    0.093325
    85  H    0.078653
    86  H    0.089001
    87  H    0.080302
    88  H    0.084474
    89  H    0.072286
    90  H    0.092171
    91  H    0.099894
    92  H    0.078199
    93  H    0.079912
    94  H    0.079414
    95  H    0.071218
    96  H    0.081070
    97  H    0.079464
    98  H    0.073355
    99  H    0.119644
   100  H    0.094394
   101  H    0.059711
   102  H    0.096678
   103  H    0.171089
   104  H    0.083429
   105  H    0.110178
   106  H    0.071724
   107  H    0.159077
   108  H    0.096573
   109  H    0.127588
   110  H    0.111224
   111  H    0.143440
   112  H    0.110048
   113  Cl  -0.765405
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.376498
     2  C   -0.147777
     3  C    0.069146
     4  C    0.042062
     5  C    0.007035
     6  C   -0.009897
     7  C    0.231707
     8  C    0.064148
     9  C    0.439626
    10  C    0.213088
    11  C   -0.115945
    12  C    0.416497
    13  C   -0.110852
    14  C    0.022782
    15  N   -0.801405
    16  C    0.469940
    17  C    0.266574
    18  N   -0.548899
    19  C   -0.083191
    20  C    0.017176
    21  C    0.353187
    22  C   -0.045141
    23  N   -0.652885
    24  N   -0.682982
    25  N   -0.664285
    26  C    0.314495
    27  C    0.039476
    28  C    0.002512
    29  C    0.313338
    30  C    0.273351
    31  C    0.085381
    32  C    0.054571
    33  C    0.246332
    34  C    0.264259
    35  C    0.057867
    36  C    0.021779
    37  C    0.281946
    38  C    0.011370
    39  C   -0.059247
    40  C    0.016553
    41  C   -0.068069
    42  C   -0.016978
    43  C    0.017885
    44  C   -0.043719
    45  C   -0.034169
    46  C   -0.086111
    47  C   -0.015617
    48  C   -0.034846
    49  C   -0.018704
    50  C   -0.057072
    51  C   -0.004322
    52  C   -0.015897
    53  C   -0.009827
    54  C   -0.088214
    55  C   -0.006322
    56  C   -0.012797
    57  C   -0.024174
    58  C   -0.020477
    59  C    0.017571
    60  C   -0.031423
    61  C   -0.012784
    62  O   -0.552482
    63  P    1.323350
    64  O   -0.583111
    65  O   -0.514007
    66  C    0.310471
    67  C    0.012458
    68  C    0.262524
    69  C    0.022079
   113  Cl  -0.765405
 Electronic spatial extent (au):  <R**2>=          71272.0843
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6525    Y=             -0.3376    Z=            -10.0317  Tot=             10.0585
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -356.7715   YY=           -362.6825   ZZ=           -436.7444
   XY=             -6.1007   XZ=            -16.0388   YZ=             17.8131
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             28.6280   YY=             22.7169   ZZ=            -51.3449
   XY=             -6.1007   XZ=            -16.0388   YZ=             17.8131
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             86.9846  YYY=            -59.0468  ZZZ=            -65.6491  XYY=            -13.6923
  XXY=            -42.5981  XXZ=            -94.6512  XZZ=             -2.6574  YZZ=            -28.7284
  YYZ=             53.8442  XYZ=             52.3574
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -57549.1408 YYYY=         -29926.2871 ZZZZ=          -4698.6065 XXXY=            475.2601
 XXXZ=           -378.5107 YYYX=           -430.0117 YYYZ=            416.9861 ZZZX=            -52.5916
 ZZZY=              7.3429 XXYY=         -14128.9773 XXZZ=         -11232.6684 YYZZ=          -5991.9318
 XXYZ=            -19.0891 YYXZ=           -107.8786 ZZXY=           -169.0621
 N-N= 1.098568301561D+04 E-N=-3.040599243477D+04  KE= 3.598083428549D+03
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.045083732   -0.022281162   -0.002193701
      2        6          -0.129623004   -0.044148981    0.027738265
      3        6           0.007318981    0.062925805   -0.005345086
      4        6          -0.067852030    0.018673769    0.015911772
      5        6           0.076379737    0.073067929   -0.001740795
      6        6           0.051538723    0.111422335    0.000614748
      7        6           0.005425849   -0.075595224   -0.003729134
      8        6           0.011180222   -0.080789973   -0.013022080
      9        6           0.012108150    0.054610819    0.020173008
     10        6           0.021875635   -0.039782471    0.003898880
     11        6          -0.075940620    0.042514818    0.021821318
     12        6           0.078562248    0.024478251   -0.007557113
     13        6           0.075755507   -0.089583151   -0.035129992
     14        6          -0.052230588   -0.070195280   -0.014236208
     15        7          -0.022084617   -0.093349105   -0.003114533
     16        6           0.043224543   -0.051191245   -0.014304769
     17        6           0.068123127    0.036207436   -0.008619587
     18        7          -0.014248140    0.122467651   -0.012313454
     19        6           0.017266836   -0.088285263    0.024608386
     20        6          -0.021318414   -0.052289494    0.003093240
     21        6          -0.035995110   -0.033504880   -0.001212436
     22        6           0.064320230    0.061105560   -0.011796461
     23        7           0.000222754    0.005131747    0.015175873
     24        7           0.032927089   -0.029478835    0.030218266
     25        7          -0.063857105   -0.049720053   -0.006182602
     26        6          -0.014434438   -0.045114937    0.018999688
     27        6           0.015076314    0.024969134   -0.011987627
     28        6          -0.053971585   -0.018217685   -0.012467734
     29        6          -0.100790901    0.074381824   -0.040562953
     30        6           0.110064097    0.046459530    0.085180122
     31        6          -0.078096343    0.059579051   -0.007728029
     32        6          -0.043671205   -0.033760236   -0.025005033
     33        6          -0.073091230   -0.059467747   -0.066390395
     34        6          -0.050607908    0.110574263    0.063179414
     35        6           0.034163793    0.066945822   -0.024640420
     36        6           0.084140644   -0.048686578   -0.040924183
     37        6           0.074206580   -0.077441249   -0.053650832
     38        6          -0.017671343   -0.066744560    0.030169130
     39        6          -0.130308114    0.072108557   -0.050999355
     40        6          -0.045784708    0.018032749   -0.020313846
     41        6           0.058309060    0.118368327   -0.014713861
     42        6           0.145492458    0.044017837    0.015635314
     43        6           0.041650836   -0.036759783    0.027084380
     44        6           0.012627304   -0.082275278    0.024895695
     45        6          -0.064983153   -0.073680404    0.020656515
     46        6          -0.080462934    0.040117144   -0.029531898
     47        6          -0.043095297    0.026399397    0.003786250
     48        6          -0.050514614   -0.062746522   -0.064807256
     49        6           0.072789161   -0.066816086   -0.016518925
     50        6           0.113710283   -0.000914336    0.067393541
     51        6           0.049783574    0.043734056    0.047780972
     52        6          -0.041742011    0.049602330   -0.007124475
     53        6          -0.055091017    0.017323909   -0.014668713
     54        6           0.068579412    0.107669115   -0.001799898
     55        6           0.089586879   -0.021956079   -0.036407793
     56        6          -0.016453925   -0.085621637   -0.030748137
     57        6          -0.060072400   -0.066570219   -0.011216211
     58        6          -0.069091961    0.015693375    0.051298032
     59        6          -0.032910847   -0.018394701    0.001321848
     60        6           0.032111209    0.102231560    0.022698077
     61        6           0.037684472    0.020584336    0.009988232
     62        8          -0.011969662    0.033599681   -0.003162155
     63       15          -0.006994560   -0.111392808    0.076114500
     64        8          -0.004899876    0.035547664   -0.075671072
     65        8           0.003586530    0.053777172    0.006245430
     66        6          -0.056905854   -0.018339098    0.047873434
     67        6           0.046400702    0.030820423   -0.029504135
     68        6           0.004470825    0.018229783   -0.006817736
     69        6           0.010408233   -0.014203511   -0.031922961
     70        1           0.022339022   -0.001215285   -0.012124730
     71        1          -0.013022331   -0.025669015   -0.000289117
     72        1          -0.023352637   -0.031816274    0.001444893
     73        1          -0.013973831    0.013779867    0.003953725
     74        1          -0.000057437    0.036292203    0.006385761
     75        1           0.018871142    0.021146614    0.005843567
     76        1          -0.009055812    0.005485461   -0.003367781
     77        1           0.038082914   -0.005696229   -0.002755806
     78        1          -0.024431826    0.032445071   -0.003542782
     79        1           0.004088831   -0.001845063   -0.000335946
     80        1           0.018246619   -0.003161761    0.002471541
     81        1           0.015512407   -0.033817760    0.013009887
     82        1           0.014394132   -0.013166096   -0.005075273
     83        1          -0.041039452   -0.019524679   -0.008390076
     84        1          -0.018810823   -0.001379645    0.003178708
     85        1          -0.005109353    0.006370883   -0.003483037
     86        1          -0.000395199    0.010509513    0.000570911
     87        1           0.032003488   -0.026929977    0.002972046
     88        1           0.019424244   -0.007647511    0.003874313
     89        1           0.008337077    0.021058055    0.012596156
     90        1          -0.017560420    0.013338844    0.007926406
     91        1          -0.026095867   -0.004258565   -0.023590895
     92        1           0.016511302   -0.016431053    0.000908950
     93        1          -0.003254032    0.010329294    0.007000063
     94        1           0.002576707    0.000027120   -0.001988947
     95        1          -0.020497666   -0.008813046    0.015412349
     96        1          -0.011969100    0.014445889    0.010589666
     97        1          -0.004614786    0.016129343    0.014143335
     98        1           0.008914077    0.019966652    0.007698977
     99        1          -0.001382054   -0.005852638   -0.007287411
    100        1          -0.002569792   -0.001171816    0.005199372
    101        1           0.000714346    0.014382816    0.005769774
    102        1          -0.017155923   -0.013302823    0.000986352
    103        1           0.024412775   -0.019636947   -0.011830647
    104        1          -0.001346104    0.023269202   -0.005090212
    105        1           0.001109176   -0.002146150    0.004443408
    106        1          -0.027767636    0.001346612    0.027330273
    107        1           0.003179131   -0.019380826    0.001023050
    108        1           0.015882305   -0.005565453    0.001060489
    109        1          -0.006907545   -0.005205514   -0.018421400
    110        1          -0.012171300    0.017640385    0.002368557
    111        1          -0.009672451   -0.010366904    0.011253587
    112        1           0.017969112   -0.006106320    0.021653326
    113       17           0.000254356   -0.001931063   -0.007266123
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.145492458 RMS     0.042038631

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.179664888 RMS     0.034351949
 Search for a local minimum.
 Step number   1 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.00230   0.00641   0.00985   0.01130   0.01306
     Eigenvalues ---    0.01344   0.01694   0.01734   0.02185   0.02260
     Eigenvalues ---    0.02474   0.02503   0.02528   0.02576   0.02601
     Eigenvalues ---    0.02624   0.02667   0.02676   0.02687   0.02691
     Eigenvalues ---    0.02706   0.02708   0.02713   0.02729   0.02746
     Eigenvalues ---    0.02758   0.02759   0.02768   0.02784   0.02790
     Eigenvalues ---    0.02797   0.02818   0.02825   0.02832   0.02836
     Eigenvalues ---    0.02836   0.02837   0.02864   0.02864   0.02867
     Eigenvalues ---    0.02874   0.02884   0.02888   0.02891   0.02904
     Eigenvalues ---    0.02913   0.02916   0.02919   0.02924   0.02926
     Eigenvalues ---    0.02926   0.02939   0.02944   0.02947   0.02948
     Eigenvalues ---    0.02949   0.02952   0.02954   0.02958   0.02960
     Eigenvalues ---    0.02963   0.02970   0.02975   0.02975   0.02978
     Eigenvalues ---    0.02980   0.02980   0.02993   0.03000   0.03001
     Eigenvalues ---    0.03001   0.03006   0.03013   0.03020   0.03025
     Eigenvalues ---    0.03040   0.03043   0.03051   0.03057   0.03062
     Eigenvalues ---    0.03065   0.03067   0.03068   0.03089   0.03105
     Eigenvalues ---    0.03114   0.03124   0.03131   0.03151   0.03167
     Eigenvalues ---    0.03172   0.03184   0.03205   0.03208   0.03229
     Eigenvalues ---    0.03257   0.03259   0.03264   0.03274   0.03293
     Eigenvalues ---    0.03574   0.04781   0.05065   0.05322   0.05798
     Eigenvalues ---    0.05840   0.05894   0.06131   0.06476   0.07053
     Eigenvalues ---    0.08213   0.08811   0.11523   0.13383   0.13455
     Eigenvalues ---    0.15231   0.15313   0.15586   0.15656   0.15749
     Eigenvalues ---    0.15783   0.15801   0.15812   0.15821   0.15884
     Eigenvalues ---    0.15903   0.15920   0.15922   0.15927   0.15941
     Eigenvalues ---    0.15959   0.15959   0.15969   0.15976   0.15978
     Eigenvalues ---    0.15979   0.15981   0.15982   0.15986   0.15987
     Eigenvalues ---    0.15989   0.15995   0.15996   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.17147
     Eigenvalues ---    0.17975   0.21465   0.21788   0.21924   0.21932
     Eigenvalues ---    0.21959   0.21964   0.21970   0.21970   0.22138
     Eigenvalues ---    0.22304   0.22345   0.22515   0.22523   0.22540
     Eigenvalues ---    0.22554   0.22555   0.22596   0.22637   0.23344
     Eigenvalues ---    0.23391   0.23407   0.23877   0.23944   0.24099
     Eigenvalues ---    0.24204   0.24235   0.24317   0.24331   0.24352
     Eigenvalues ---    0.24405   0.24418   0.24523   0.24665   0.24723
     Eigenvalues ---    0.24732   0.24744   0.24757   0.24816   0.24846
     Eigenvalues ---    0.24860   0.24892   0.24906   0.24935   0.24958
     Eigenvalues ---    0.24959   0.24966   0.24972   0.24988   0.24993
     Eigenvalues ---    0.25000   0.25000   0.25000   0.26168   0.26606
     Eigenvalues ---    0.27510   0.28277   0.28400   0.28715   0.28850
     Eigenvalues ---    0.28857   0.29307   0.29345   0.29698   0.30224
     Eigenvalues ---    0.30581   0.30676   0.30688   0.30885   0.30939
     Eigenvalues ---    0.31115   0.31236   0.31365   0.31366   0.31408
     Eigenvalues ---    0.31509   0.32111   0.32194   0.32252   0.32515
     Eigenvalues ---    0.33103   0.33514   0.33537   0.33917   0.33971
     Eigenvalues ---    0.34182   0.34494   0.34666   0.34936   0.34971
     Eigenvalues ---    0.35151   0.35455   0.35583   0.36384   0.36759
     Eigenvalues ---    0.37137   0.37307   0.37478   0.38797   0.41492
     Eigenvalues ---    0.41528   0.41676   0.41712   0.42033   0.42272
     Eigenvalues ---    0.43397   0.44178   0.45932   0.46149   0.46368
     Eigenvalues ---    0.46657   0.46861   0.47178   0.47262   0.47722
     Eigenvalues ---    0.49159   0.50032   0.50050   0.50146   0.50714
     Eigenvalues ---    0.51086   0.51267   0.51514   0.52127   0.52643
     Eigenvalues ---    0.52960   0.53060   0.53584   0.53651   0.54029
     Eigenvalues ---    0.54469   0.54964   0.55131   0.55357   0.55630
     Eigenvalues ---    0.55814   0.56142   0.56255   0.56272   0.56293
     Eigenvalues ---    0.56418   0.56541   0.56753   0.57150   0.57155
     Eigenvalues ---    0.57207   0.58155   0.58164   0.58228   0.58297
     Eigenvalues ---    0.58445   0.58498   0.58758   0.58852   0.59375
     Eigenvalues ---    0.59383   0.59483   0.59623   0.59663   0.59728
     Eigenvalues ---    0.60773   0.60792   0.61372   0.62683   0.63135
     Eigenvalues ---    0.64070   0.64137   0.65844   0.65943   0.67349
     Eigenvalues ---    0.68596   0.68823   0.72541   0.73801   0.74575
     Eigenvalues ---    0.80422   0.82929   0.86944
 RFO step:  Lambda=-6.50932825D-01 EMin= 2.30000000D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.411
 Iteration  1 RMS(Cart)=  0.06564490 RMS(Int)=  0.00016102
 Iteration  2 RMS(Cart)=  0.00049271 RMS(Int)=  0.00002486
 Iteration  3 RMS(Cart)=  0.00000008 RMS(Int)=  0.00002486
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.52596   0.07564   0.00000   0.02527   0.02528   2.55123
    R2        2.51993   0.09000   0.00000   0.02987   0.02988   2.54980
    R3        2.46595   0.10259   0.00000   0.03216   0.03216   2.49811
    R4        2.51761   0.07383   0.00000   0.02444   0.02445   2.54206
    R5        2.13336  -0.02232   0.00000  -0.00957  -0.00957   2.12380
    R6        2.56719   0.08191   0.00000   0.02901   0.02901   2.59620
    R7        2.50844   0.13640   0.00000   0.04501   0.04501   2.55345
    R8        2.51853   0.08204   0.00000   0.02713   0.02712   2.54565
    R9        2.51188   0.13949   0.00000   0.04616   0.04617   2.55805
   R10        2.52444   0.06212   0.00000   0.02067   0.02067   2.54511
   R11        2.12265  -0.02486   0.00000  -0.01059  -0.01059   2.11206
   R12        2.17302  -0.03692   0.00000  -0.01616  -0.01616   2.15687
   R13        2.60012   0.06494   0.00000   0.02261   0.02261   2.62273
   R14        2.52828   0.06428   0.00000   0.02179   0.02180   2.55007
   R15        2.52705   0.10641   0.00000   0.03495   0.03495   2.56200
   R16        2.58294   0.06313   0.00000   0.02165   0.02164   2.60458
   R17        2.61780   0.08848   0.00000   0.03078   0.03076   2.64856
   R18        2.51634   0.05849   0.00000   0.01752   0.01748   2.53381
   R19        2.33083   0.14613   0.00000   0.03948   0.03949   2.37032
   R20        2.52812   0.07174   0.00000   0.02450   0.02450   2.55262
   R21        1.99921   0.01954   0.00000   0.00772   0.00772   2.00693
   R22        2.51631   0.09652   0.00000   0.03214   0.03214   2.54845
   R23        2.42207   0.14323   0.00000   0.04272   0.04272   2.46479
   R24        2.60750   0.01047   0.00000   0.00350   0.00349   2.61099
   R25        2.17002  -0.03670   0.00000  -0.01603  -0.01603   2.15398
   R26        2.05722  -0.00546   0.00000  -0.00224  -0.00224   2.05498
   R27        2.48178   0.09251   0.00000   0.02869   0.02867   2.51045
   R28        3.34973   0.00220   0.00000   0.00097   0.00097   3.35069
   R29        2.46883   0.13258   0.00000   0.04325   0.04328   2.51211
   R30        2.56770   0.04390   0.00000   0.01516   0.01515   2.58285
   R31        2.34323   0.15016   0.00000   0.04202   0.04207   2.38530
   R32        2.52827   0.08237   0.00000   0.02807   0.02808   2.55635
   R33        2.54594   0.05296   0.00000   0.01752   0.01751   2.56344
   R34        2.08159  -0.00761   0.00000  -0.00317  -0.00317   2.07842
   R35        2.52774   0.10506   0.00000   0.03458   0.03458   2.56232
   R36        1.95582   0.03447   0.00000   0.01321   0.01321   1.96902
   R37        2.56698   0.04307   0.00000   0.01496   0.01497   2.58195
   R38        2.47809   0.11599   0.00000   0.03685   0.03685   2.51494
   R39        1.96275   0.03388   0.00000   0.01305   0.01305   1.97580
   R40        2.46808   0.11537   0.00000   0.03721   0.03725   2.50533
   R41        2.43836   0.14956   0.00000   0.04513   0.04511   2.48346
   R42        2.52343   0.09108   0.00000   0.03007   0.03004   2.55347
   R43        2.38466   0.17629   0.00000   0.05165   0.05168   2.43634
   R44        2.39343   0.17966   0.00000   0.05279   0.05280   2.44624
   R45        2.43186   0.14814   0.00000   0.04502   0.04502   2.47688
   R46        2.59451   0.06780   0.00000   0.02236   0.02232   2.61683
   R47        2.49701   0.09177   0.00000   0.02965   0.02965   2.52666
   R48        2.52720   0.12785   0.00000   0.04189   0.04190   2.56910
   R49        2.45261   0.11799   0.00000   0.03666   0.03667   2.48928
   R50        2.49846   0.09668   0.00000   0.03297   0.03303   2.53148
   R51        2.54638   0.07009   0.00000   0.02412   0.02411   2.57049
   R52        2.53320   0.07457   0.00000   0.02509   0.02510   2.55831
   R53        2.43581   0.14132   0.00000   0.04421   0.04428   2.48009
   R54        2.52271   0.08418   0.00000   0.02830   0.02829   2.55100
   R55        2.51402   0.14570   0.00000   0.04765   0.04764   2.56166
   R56        2.55123   0.05707   0.00000   0.01974   0.01976   2.57099
   R57        2.58119   0.06576   0.00000   0.02195   0.02189   2.60307
   R58        2.53295   0.06212   0.00000   0.02059   0.02058   2.55353
   R59        2.53897   0.06755   0.00000   0.02319   0.02319   2.56217
   R60        2.49816   0.10882   0.00000   0.03621   0.03624   2.53440
   R61        2.54022   0.07310   0.00000   0.02481   0.02480   2.56502
   R62        2.47111   0.16047   0.00000   0.04969   0.04968   2.52079
   R63        2.53390   0.07394   0.00000   0.02525   0.02527   2.55917
   R64        2.53361   0.10603   0.00000   0.03434   0.03432   2.56792
   R65        2.54256   0.05856   0.00000   0.02013   0.02015   2.56270
   R66        2.60836   0.03378   0.00000   0.01154   0.01152   2.61988
   R67        2.44191   0.11275   0.00000   0.03435   0.03434   2.47625
   R68        2.05430  -0.00136   0.00000  -0.00056  -0.00056   2.05374
   R69        2.59338   0.04862   0.00000   0.01694   0.01694   2.61032
   R70        2.12932  -0.01856   0.00000  -0.00794  -0.00794   2.12138
   R71        2.50224   0.08169   0.00000   0.02638   0.02639   2.52863
   R72        2.17016  -0.03939   0.00000  -0.01721  -0.01721   2.15295
   R73        2.07471  -0.00407   0.00000  -0.00169  -0.00169   2.07302
   R74        2.51785   0.07438   0.00000   0.02439   0.02438   2.54224
   R75        2.23029  -0.04579   0.00000  -0.02060  -0.02060   2.20969
   R76        2.56050   0.05246   0.00000   0.01794   0.01793   2.57843
   R77        2.08870  -0.01283   0.00000  -0.00536  -0.00536   2.08334
   R78        2.51384   0.07705   0.00000   0.02547   0.02547   2.53931
   R79        2.07379  -0.00591   0.00000  -0.00245  -0.00245   2.07134
   R80        2.06221  -0.00319   0.00000  -0.00131  -0.00131   2.06090
   R81        2.60808   0.02462   0.00000   0.00847   0.00846   2.61655
   R82        2.19923  -0.04113   0.00000  -0.01823  -0.01823   2.18100
   R83        2.56495   0.04746   0.00000   0.01637   0.01637   2.58132
   R84        2.10641  -0.01933   0.00000  -0.00816  -0.00816   2.09824
   R85        2.50582   0.07195   0.00000   0.02380   0.02381   2.52963
   R86        2.14218  -0.02544   0.00000  -0.01096  -0.01096   2.13123
   R87        2.12493  -0.02304   0.00000  -0.00983  -0.00983   2.11510
   R88        2.53183   0.05547   0.00000   0.01842   0.01840   2.55023
   R89        2.16068  -0.03212   0.00000  -0.01397  -0.01397   2.14671
   R90        2.50146   0.10765   0.00000   0.03454   0.03452   2.53598
   R91        2.06505  -0.00185   0.00000  -0.00076  -0.00076   2.06429
   R92        2.51113   0.07947   0.00000   0.02579   0.02579   2.53692
   R93        2.02085   0.01191   0.00000   0.00478   0.00478   2.02563
   R94        2.05779  -0.00189   0.00000  -0.00077  -0.00077   2.05702
   R95        2.47323   0.08819   0.00000   0.02840   0.02842   2.50165
   R96        2.13520  -0.02109   0.00000  -0.00905  -0.00905   2.12615
   R97        2.49403   0.10531   0.00000   0.03433   0.03433   2.52836
   R98        2.10386  -0.01630   0.00000  -0.00688  -0.00688   2.09698
   R99        2.54944   0.04824   0.00000   0.01621   0.01619   2.56563
   R100       2.12020  -0.02155   0.00000  -0.00917  -0.00917   2.11103
   R101       2.12021  -0.02272   0.00000  -0.00967  -0.00967   2.11054
   R102       2.59523   0.03450   0.00000   0.01185   0.01183   2.60705
   R103       2.04943   0.00021   0.00000   0.00009   0.00009   2.04951
   R104       2.52634   0.07410   0.00000   0.02428   0.02427   2.55061
   R105       2.03485   0.00391   0.00000   0.00158   0.00158   2.03644
   R106       2.51860   0.07109   0.00000   0.02345   0.02346   2.54205
   R107       2.02912   0.01490   0.00000   0.00601   0.00601   2.03512
   R108       2.10490  -0.02075   0.00000  -0.00876  -0.00876   2.09614
   R109       2.81389  -0.00517   0.00000  -0.00146  -0.00146   2.81243
   R110       3.18832  -0.04268   0.00000  -0.01708  -0.01708   3.17124
   R111       3.26911  -0.02857   0.00000  -0.01201  -0.01201   3.25710
   R112       2.63964   0.02787   0.00000   0.01028   0.01028   2.64992
   R113       2.69529   0.02819   0.00000   0.01085   0.01085   2.70615
   R114       2.80324   0.02307   0.00000   0.00954   0.00954   2.81278
   R115       2.18237  -0.03665   0.00000  -0.01611  -0.01611   2.16626
   R116       2.15269  -0.02310   0.00000  -0.01000  -0.01000   2.14269
   R117       2.04738   0.00499   0.00000   0.00204   0.00204   2.04942
   R118       2.21992  -0.03824   0.00000  -0.01712  -0.01712   2.20280
   R119       2.12830  -0.01915   0.00000  -0.00819  -0.00819   2.12011
   R120       2.85240   0.00560   0.00000   0.00238   0.00238   2.85478
   R121       2.08118  -0.00167   0.00000  -0.00070  -0.00070   2.08048
   R122       2.11751  -0.01678   0.00000  -0.00713  -0.00713   2.11038
   R123       2.13312  -0.02048   0.00000  -0.00878  -0.00878   2.12435
   R124       2.02340   0.01756   0.00000   0.00705   0.00705   2.03045
   R125       2.15988  -0.02808   0.00000  -0.01220  -0.01220   2.14768
   R126       5.76190  -0.00159   0.00000  -0.00098  -0.00098   5.76092
    A1        1.91774   0.02735   0.00000   0.01281   0.01282   1.93056
    A2        2.17515  -0.01845   0.00000  -0.00858  -0.00858   2.16657
    A3        2.18917  -0.00885   0.00000  -0.00420  -0.00420   2.18496
    A4        2.27521  -0.02760   0.00000  -0.01263  -0.01262   2.26258
    A5        1.90869   0.02405   0.00000   0.01158   0.01158   1.92027
    A6        2.07132   0.00387   0.00000   0.00135   0.00135   2.07267
    A7        2.03636   0.00576   0.00000   0.00253   0.00254   2.03890
    A8        2.19667  -0.01488   0.00000  -0.00728  -0.00728   2.18939
    A9        2.04127   0.00962   0.00000   0.00503   0.00502   2.04629
   A10        1.98420   0.01560   0.00000   0.00700   0.00699   1.99119
   A11        2.12487  -0.00621   0.00000  -0.00222  -0.00222   2.12265
   A12        2.16375  -0.00911   0.00000  -0.00457  -0.00457   2.15919
   A13        2.19050  -0.01214   0.00000  -0.00556  -0.00557   2.18493
   A14        2.15729  -0.00934   0.00000  -0.00501  -0.00500   2.15229
   A15        1.93436   0.02152   0.00000   0.01060   0.01060   1.94496
   A16        2.13286  -0.00750   0.00000  -0.00328  -0.00328   2.12958
   A17        2.20981  -0.01082   0.00000  -0.00574  -0.00574   2.20407
   A18        1.92896   0.01881   0.00000   0.00931   0.00931   1.93827
   A19        2.06188   0.00841   0.00000   0.00351   0.00349   2.06537
   A20        2.18319  -0.01441   0.00000  -0.00637  -0.00637   2.17682
   A21        2.03472   0.00623   0.00000   0.00299   0.00300   2.03772
   A22        2.24198  -0.02835   0.00000  -0.01401  -0.01402   2.22796
   A23        2.06142  -0.00309   0.00000  -0.00181  -0.00181   2.05961
   A24        1.97188   0.03143   0.00000   0.01584   0.01585   1.98773
   A25        1.89997   0.04515   0.00000   0.02100   0.02103   1.92100
   A26        2.37616  -0.05934   0.00000  -0.02429  -0.02426   2.35190
   A27        2.00539   0.01427   0.00000   0.00335   0.00329   2.00868
   A28        2.18239  -0.02891   0.00000  -0.01349  -0.01348   2.16891
   A29        1.98060   0.02992   0.00000   0.01403   0.01403   1.99463
   A30        2.11989  -0.00103   0.00000  -0.00053  -0.00055   2.11934
   A31        2.24685  -0.02047   0.00000  -0.00875  -0.00874   2.23811
   A32        2.02994   0.00592   0.00000   0.00218   0.00218   2.03212
   A33        2.00408   0.01452   0.00000   0.00655   0.00655   2.01063
   A34        1.94682   0.01150   0.00000   0.00622   0.00622   1.95304
   A35        2.31633  -0.04576   0.00000  -0.02134  -0.02134   2.29499
   A36        2.01895   0.03423   0.00000   0.01511   0.01511   2.03405
   A37        2.18564  -0.01247   0.00000  -0.00599  -0.00600   2.17964
   A38        2.08084   0.00567   0.00000   0.00271   0.00271   2.08355
   A39        2.01667   0.00682   0.00000   0.00330   0.00330   2.01997
   A40        2.06358   0.01845   0.00000   0.00743   0.00741   2.07099
   A41        2.37220  -0.03764   0.00000  -0.01816  -0.01815   2.35405
   A42        1.83899   0.01921   0.00000   0.01075   0.01076   1.84975
   A43        2.10971   0.01898   0.00000   0.00506   0.00501   2.11472
   A44        2.08944  -0.00530   0.00000  -0.00061  -0.00059   2.08886
   A45        2.07642  -0.01410   0.00000  -0.00474  -0.00472   2.07170
   A46        2.04117   0.00737   0.00000   0.00279   0.00280   2.04397
   A47        2.22694  -0.01650   0.00000  -0.00795  -0.00796   2.21898
   A48        1.99420   0.00997   0.00000   0.00571   0.00570   1.99990
   A49        2.16603  -0.02821   0.00000  -0.01040  -0.01035   2.15568
   A50        2.07249   0.00249   0.00000   0.00128   0.00127   2.07376
   A51        2.04450   0.02574   0.00000   0.00913   0.00909   2.05358
   A52        2.10712  -0.01149   0.00000  -0.00039  -0.00032   2.10680
   A53        2.19529  -0.01982   0.00000  -0.00959  -0.00961   2.18568
   A54        2.08559   0.00325   0.00000   0.00164   0.00165   2.08724
   A55        1.95258   0.01805   0.00000   0.00894   0.00895   1.96153
   A56        2.05241   0.02166   0.00000   0.00918   0.00917   2.06158
   A57        1.94225   0.00554   0.00000   0.00374   0.00375   1.94600
   A58        2.28386  -0.02714   0.00000  -0.01289  -0.01289   2.27097
   A59        1.99208   0.00915   0.00000   0.00379   0.00379   1.99587
   A60        2.03444   0.02658   0.00000   0.01230   0.01230   2.04674
   A61        2.25582  -0.03566   0.00000  -0.01604  -0.01605   2.23977
   A62        2.20958  -0.02130   0.00000  -0.00898  -0.00896   2.20062
   A63        2.15096  -0.01147   0.00000  -0.00671  -0.00672   2.14423
   A64        1.92192   0.03286   0.00000   0.01575   0.01573   1.93766
   A65        2.25739  -0.01948   0.00000  -0.00939  -0.00940   2.24799
   A66        2.26262  -0.02015   0.00000  -0.00973  -0.00974   2.25287
   A67        1.76066   0.03973   0.00000   0.01917   0.01920   1.77985
   A68        2.20666  -0.00731   0.00000  -0.00429  -0.00429   2.20237
   A69        2.22226   0.00034   0.00000  -0.00080  -0.00081   2.22145
   A70        1.85412   0.00695   0.00000   0.00508   0.00508   1.85920
   A71        2.14730   0.01336   0.00000   0.00517   0.00516   2.15246
   A72        2.24767  -0.00947   0.00000  -0.00523  -0.00524   2.24244
   A73        1.88792  -0.00389   0.00000   0.00006   0.00007   1.88799
   A74        1.90033   0.00117   0.00000  -0.00147  -0.00154   1.89879
   A75        2.40448  -0.02464   0.00000  -0.01000  -0.00997   2.39451
   A76        1.97264   0.02341   0.00000   0.01146   0.01150   1.98414
   A77        1.83515   0.02255   0.00000   0.00719   0.00715   1.84229
   A78        2.21261  -0.03464   0.00000  -0.01425  -0.01422   2.19839
   A79        2.23487   0.01206   0.00000   0.00704   0.00706   2.24192
   A80        1.86308  -0.00234   0.00000  -0.00093  -0.00088   1.86220
   A81        2.27665   0.01346   0.00000   0.00528   0.00525   2.28190
   A82        2.13454  -0.01064   0.00000  -0.00409  -0.00411   2.13044
   A83        1.97173  -0.02828   0.00000  -0.00983  -0.00977   1.96196
   A84        2.28506   0.01011   0.00000   0.00243   0.00239   2.28745
   A85        2.02443   0.01808   0.00000   0.00734   0.00733   2.03175
   A86        2.04338  -0.05233   0.00000  -0.02232  -0.02226   2.02112
   A87        2.25837   0.01949   0.00000   0.00707   0.00703   2.26540
   A88        1.97354   0.03303   0.00000   0.01537   0.01535   1.98889
   A89        1.81673   0.01754   0.00000   0.00829   0.00830   1.82503
   A90        2.22887  -0.03707   0.00000  -0.01614  -0.01612   2.21275
   A91        2.23230   0.01976   0.00000   0.00801   0.00797   2.24027
   A92        1.83448   0.01211   0.00000   0.00419   0.00414   1.83862
   A93        2.30926   0.00254   0.00000   0.00221   0.00225   2.31151
   A94        2.13778  -0.01465   0.00000  -0.00640  -0.00639   2.13139
   A95        1.96777  -0.01688   0.00000  -0.00924  -0.00930   1.95848
   A96        2.26870   0.00754   0.00000   0.00397   0.00400   2.27271
   A97        2.03651   0.00951   0.00000   0.00536   0.00538   2.04189
   A98        1.94491  -0.01761   0.00000  -0.00660  -0.00657   1.93835
   A99        2.28593   0.00856   0.00000   0.00264   0.00262   2.28855
   A100       2.03129   0.00946   0.00000   0.00422   0.00421   2.03549
   A101       1.82465   0.01619   0.00000   0.00620   0.00620   1.83084
   A102       2.23421  -0.03758   0.00000  -0.01578  -0.01575   2.21847
   A103       2.22333   0.02153   0.00000   0.00965   0.00963   2.23296
   A104       1.89574  -0.00037   0.00000  -0.00227  -0.00230   1.89344
   A105       2.32107  -0.00650   0.00000  -0.00169  -0.00168   2.31938
   A106       2.06344   0.00696   0.00000   0.00401   0.00403   2.06748
   A107       1.87081   0.00570   0.00000   0.00262   0.00262   1.87343
   A108       2.38426  -0.02221   0.00000  -0.00911  -0.00909   2.37516
   A109       2.02408   0.01651   0.00000   0.00650   0.00649   2.03057
   A110       2.03576   0.00914   0.00000   0.00497   0.00497   2.04073
   A111       2.14889  -0.00854   0.00000  -0.00448  -0.00448   2.14441
   A112       2.09689  -0.00052   0.00000  -0.00043  -0.00043   2.09646
   A113       2.21089  -0.02521   0.00000  -0.01197  -0.01197   2.19892
   A114       2.04610   0.01140   0.00000   0.00539   0.00539   2.05149
   A115       2.02382   0.01391   0.00000   0.00665   0.00665   2.03047
   A116       1.93952   0.04083   0.00000   0.01882   0.01884   1.95836
   A117       2.16652  -0.01951   0.00000  -0.00895  -0.00896   2.15756
   A118       2.17714  -0.02132   0.00000  -0.00987  -0.00988   2.16727
   A119       2.21412  -0.03180   0.00000  -0.01483  -0.01481   2.19932
   A120       2.15271   0.00049   0.00000  -0.00028  -0.00029   2.15242
   A121       1.88638   0.03223   0.00000   0.01576   0.01575   1.90213
   A122       2.15256  -0.01158   0.00000  -0.00633  -0.00634   2.14622
   A123       2.05823   0.01093   0.00000   0.00577   0.00578   2.06401
   A124       2.07117   0.00068   0.00000   0.00057   0.00057   2.07174
   A125       2.08636   0.00874   0.00000   0.00313   0.00310   2.08946
   A126       1.97868   0.00973   0.00000   0.00557   0.00559   1.98427
   A127       2.21800  -0.01844   0.00000  -0.00869  -0.00867   2.20933
   A128       2.08765   0.00387   0.00000   0.00129   0.00126   2.08891
   A129       2.03492   0.00507   0.00000   0.00292   0.00294   2.03786
   A130       2.15609  -0.00857   0.00000  -0.00399  -0.00397   2.15212
   A131       2.04651   0.01068   0.00000   0.00499   0.00499   2.05150
   A132       2.18703  -0.01445   0.00000  -0.00711  -0.00711   2.17993
   A133       2.04942   0.00379   0.00000   0.00213   0.00213   2.05155
   A134       2.09409   0.00666   0.00000   0.00201   0.00199   2.09608
   A135       2.16079  -0.01214   0.00000  -0.00545  -0.00545   2.15534
   A136       2.02196   0.00583   0.00000   0.00365   0.00366   2.02562
   A137       2.02362   0.01800   0.00000   0.00761   0.00760   2.03122
   A138       2.04881   0.00023   0.00000   0.00087   0.00087   2.04968
   A139       2.20999  -0.01815   0.00000  -0.00843  -0.00843   2.20156
   A140       2.15123  -0.00823   0.00000  -0.00385  -0.00385   2.14738
   A141       2.05963   0.00568   0.00000   0.00273   0.00273   2.06236
   A142       2.06664   0.00283   0.00000   0.00130   0.00130   2.06793
   A143       2.11551  -0.01092   0.00000  -0.00452  -0.00452   2.11100
   A144       2.09630   0.00604   0.00000   0.00259   0.00259   2.09888
   A145       2.05877   0.00534   0.00000   0.00222   0.00222   2.06099
   A146       2.10845  -0.01399   0.00000  -0.00613  -0.00614   2.10231
   A147       2.24446  -0.00891   0.00000  -0.00498  -0.00498   2.23949
   A148       1.93027   0.02289   0.00000   0.01111   0.01112   1.94138
   A149       2.15442  -0.00705   0.00000  -0.00397  -0.00400   2.15042
   A150       2.21879  -0.02052   0.00000  -0.01019  -0.01018   2.20861
   A151       1.90850   0.02762   0.00000   0.01419   0.01420   1.92271
   A152       2.02743   0.02176   0.00000   0.00932   0.00931   2.03674
   A153       2.13703  -0.01253   0.00000  -0.00549  -0.00549   2.13154
   A154       2.11844  -0.00923   0.00000  -0.00383  -0.00382   2.11462
   A155       2.05065   0.00451   0.00000   0.00223   0.00226   2.05291
   A156       2.09010  -0.00274   0.00000  -0.00136  -0.00137   2.08873
   A157       2.14243  -0.00177   0.00000  -0.00087  -0.00088   2.14155
   A158       2.19187  -0.02798   0.00000  -0.01232  -0.01228   2.17959
   A159       2.14650  -0.00168   0.00000  -0.00175  -0.00176   2.14474
   A160       1.93654   0.02969   0.00000   0.01413   0.01411   1.95065
   A161       2.04988   0.00468   0.00000   0.00326   0.00327   2.05315
   A162       2.21530  -0.01678   0.00000  -0.00891  -0.00891   2.20639
   A163       2.00873   0.01262   0.00000   0.00596   0.00596   2.01468
   A164       2.08240   0.01016   0.00000   0.00474   0.00472   2.08712
   A165       2.13558  -0.00579   0.00000  -0.00272  -0.00271   2.13287
   A166       2.06131  -0.00418   0.00000  -0.00191  -0.00190   2.05940
   A167       2.14375  -0.01007   0.00000  -0.00602  -0.00606   2.13770
   A168       2.13612   0.00027   0.00000   0.00060   0.00062   2.13674
   A169       2.00202   0.00982   0.00000   0.00543   0.00545   2.00746
   A170       2.09661  -0.00089   0.00000  -0.00075  -0.00078   2.09583
   A171       2.19176  -0.00788   0.00000  -0.00380  -0.00379   2.18797
   A172       1.98085   0.00989   0.00000   0.00520   0.00522   1.98607
   A173       2.01917   0.02670   0.00000   0.01150   0.01147   2.03063
   A174       2.14105  -0.01610   0.00000  -0.00712  -0.00710   2.13395
   A175       2.12083  -0.01055   0.00000  -0.00434  -0.00432   2.11651
   A176       2.23517  -0.02926   0.00000  -0.01433  -0.01432   2.22084
   A177       2.03990   0.01078   0.00000   0.00525   0.00525   2.04515
   A178       2.00600   0.01865   0.00000   0.00919   0.00918   2.01518
   A179       1.90488   0.03381   0.00000   0.01658   0.01662   1.92150
   A180       2.22776  -0.02255   0.00000  -0.01097  -0.01100   2.21676
   A181       2.11605  -0.00898   0.00000  -0.00426  -0.00428   2.11177
   A182       2.04559  -0.01917   0.00000  -0.00934  -0.00924   2.03635
   A183       1.97159  -0.03728   0.00000  -0.01865  -0.01872   1.95287
   A184       2.13677  -0.03203   0.00000  -0.01574  -0.01577   2.12100
   A185       1.85373   0.03742   0.00000   0.01892   0.01874   1.87247
   A186       1.64446   0.04257   0.00000   0.02208   0.02195   1.66642
   A187       1.76196   0.03103   0.00000   0.01390   0.01366   1.77561
   A188       2.08160  -0.02341   0.00000  -0.01067  -0.01067   2.07093
   A189       2.09995   0.01460   0.00000   0.00665   0.00665   2.10660
   A190       1.91960  -0.00812   0.00000  -0.00403  -0.00402   1.91558
   A191       1.87074  -0.01036   0.00000  -0.00580  -0.00579   1.86494
   A192       1.94098   0.00562   0.00000   0.00280   0.00280   1.94378
   A193       1.88064   0.01441   0.00000   0.00743   0.00743   1.88807
   A194       1.93541   0.00177   0.00000   0.00114   0.00113   1.93654
   A195       1.91437  -0.00344   0.00000  -0.00161  -0.00162   1.91274
   A196       1.95234  -0.00255   0.00000  -0.00139  -0.00139   1.95095
   A197       1.88834   0.00817   0.00000   0.00418   0.00418   1.89252
   A198       1.89187   0.00485   0.00000   0.00250   0.00250   1.89437
   A199       1.93216  -0.00509   0.00000  -0.00268  -0.00268   1.92948
   A200       1.94359  -0.00304   0.00000  -0.00163  -0.00163   1.94197
   A201       1.85176  -0.00181   0.00000  -0.00069  -0.00070   1.85106
   A202       1.83074   0.00494   0.00000   0.00252   0.00252   1.83326
   A203       1.81719   0.00731   0.00000   0.00447   0.00446   1.82165
   A204       1.86906   0.00407   0.00000   0.00218   0.00218   1.87124
   A205       1.88140   0.00439   0.00000   0.00234   0.00233   1.88372
   A206       2.10043  -0.01604   0.00000  -0.00861  -0.00861   2.09181
   A207       1.94138  -0.00102   0.00000  -0.00083  -0.00084   1.94054
   A208       1.99758  -0.00352   0.00000  -0.00187  -0.00188   1.99571
   A209       1.91483  -0.00136   0.00000  -0.00055  -0.00055   1.91428
   A210       1.96759  -0.00424   0.00000  -0.00220  -0.00220   1.96539
   A211       1.83676   0.00391   0.00000   0.00207   0.00207   1.83883
   A212       1.91824   0.00096   0.00000   0.00027   0.00026   1.91850
   A213       1.81527   0.00569   0.00000   0.00306   0.00306   1.81833
   A214       2.13095  -0.02159   0.00000  -0.00984  -0.00984   2.12111
    D1       -0.01499  -0.00051   0.00000  -0.00031  -0.00031  -0.01530
    D2        2.86563   0.00327   0.00000   0.00208   0.00207   2.86770
    D3        3.07800   0.00069   0.00000   0.00039   0.00039   3.07839
    D4       -0.32457   0.00447   0.00000   0.00278   0.00277  -0.32179
    D5        0.14033  -0.00291   0.00000  -0.00170  -0.00170   0.13863
    D6        3.10338   0.00263   0.00000   0.00145   0.00144   3.10482
    D7       -2.95218  -0.00381   0.00000  -0.00227  -0.00227  -2.95445
    D8        0.01087   0.00173   0.00000   0.00088   0.00087   0.01174
    D9        2.67880  -0.00666   0.00000  -0.00381  -0.00381   2.67499
   D10       -0.55408  -0.00309   0.00000  -0.00192  -0.00192  -0.55601
   D11       -0.51890  -0.00436   0.00000  -0.00258  -0.00257  -0.52147
   D12        2.53140  -0.00079   0.00000  -0.00068  -0.00069   2.53072
   D13       -0.18435   0.00597   0.00000   0.00345   0.00344  -0.18090
   D14        3.10516   0.00082   0.00000   0.00064   0.00063   3.10579
   D15       -3.04479   0.00005   0.00000  -0.00010  -0.00011  -3.04489
   D16        0.24472  -0.00509   0.00000  -0.00291  -0.00292   0.24180
   D17        0.23918  -0.00333   0.00000  -0.00238  -0.00240   0.23678
   D18       -3.05081  -0.00202   0.00000  -0.00130  -0.00131  -3.05212
   D19       -3.03681  -0.00078   0.00000  -0.00089  -0.00089  -3.03770
   D20       -0.04361   0.00053   0.00000   0.00019   0.00020  -0.04341
   D21        2.99875   0.00268   0.00000   0.00173   0.00173   3.00048
   D22       -0.05102  -0.00082   0.00000  -0.00024  -0.00025  -0.05126
   D23        0.00544  -0.00218   0.00000  -0.00090  -0.00090   0.00454
   D24       -3.04433  -0.00568   0.00000  -0.00287  -0.00287  -3.04720
   D25       -0.13544   0.00355   0.00000   0.00206   0.00205  -0.13339
   D26        3.05966   0.00180   0.00000   0.00109   0.00109   3.06075
   D27       -3.12483   0.00186   0.00000   0.00069   0.00067  -3.12416
   D28        0.07027   0.00011   0.00000  -0.00028  -0.00029   0.06998
   D29       -0.03767   0.00125   0.00000   0.00039   0.00040  -0.03727
   D30        3.13038   0.00174   0.00000   0.00034   0.00033   3.13071
   D31        2.93992   0.00484   0.00000   0.00261   0.00261   2.94253
   D32       -0.17521   0.00533   0.00000   0.00255   0.00254  -0.17267
   D33       -0.06906   0.00256   0.00000   0.00139   0.00139  -0.06767
   D34       -3.05785   0.00015   0.00000  -0.00010  -0.00011  -3.05795
   D35        3.02485   0.00343   0.00000   0.00190   0.00190   3.02675
   D36        0.03606   0.00102   0.00000   0.00041   0.00040   0.03647
   D37        0.12850  -0.00013   0.00000  -0.00003  -0.00005   0.12845
   D38       -2.86789  -0.00278   0.00000  -0.00157  -0.00159  -2.86948
   D39       -3.09709   0.00196   0.00000   0.00127   0.00127  -3.09582
   D40        0.18971  -0.00069   0.00000  -0.00027  -0.00027   0.18943
   D41        3.03653   0.00224   0.00000   0.00111   0.00112   3.03765
   D42       -0.18279   0.00251   0.00000   0.00133   0.00134  -0.18145
   D43       -0.01452  -0.00135   0.00000  -0.00087  -0.00086  -0.01539
   D44        3.04934  -0.00107   0.00000  -0.00064  -0.00064   3.04870
   D45       -0.18974  -0.00283   0.00000  -0.00150  -0.00151  -0.19125
   D46        2.88394   0.00084   0.00000   0.00037   0.00036   2.88430
   D47        2.81277  -0.00239   0.00000  -0.00110  -0.00112   2.81165
   D48       -0.39673   0.00127   0.00000   0.00077   0.00074  -0.39599
   D49       -0.18223   0.00047   0.00000   0.00034   0.00035  -0.18188
   D50        2.79660   0.00347   0.00000   0.00194   0.00193   2.79853
   D51        3.08275   0.00267   0.00000   0.00125   0.00125   3.08401
   D52       -0.22160   0.00567   0.00000   0.00285   0.00283  -0.21877
   D53        0.14069   0.00215   0.00000   0.00139   0.00141   0.14210
   D54       -3.02936   0.00200   0.00000   0.00164   0.00167  -3.02769
   D55       -2.94905   0.00290   0.00000   0.00136   0.00133  -2.94772
   D56        0.16409   0.00276   0.00000   0.00160   0.00158   0.16567
   D57        3.00822  -0.00749   0.00000  -0.00358  -0.00356   3.00466
   D58       -0.26700  -0.01225   0.00000  -0.00650  -0.00649  -0.27350
   D59       -0.20422  -0.00305   0.00000  -0.00123  -0.00121  -0.20543
   D60        2.80374  -0.00780   0.00000  -0.00415  -0.00414   2.79960
   D61        3.07440  -0.00294   0.00000  -0.00132  -0.00130   3.07310
   D62       -0.04180  -0.00196   0.00000  -0.00115  -0.00114  -0.04293
   D63       -0.15728   0.00121   0.00000   0.00062   0.00062  -0.15666
   D64        3.03793   0.00050   0.00000   0.00033   0.00033   3.03826
   D65        3.06108   0.00123   0.00000   0.00055   0.00056   3.06164
   D66       -0.02689   0.00052   0.00000   0.00026   0.00026  -0.02663
   D67        0.16289   0.00071   0.00000   0.00024   0.00023   0.16312
   D68       -2.98902   0.00337   0.00000   0.00175   0.00174  -2.98728
   D69       -3.02240  -0.00128   0.00000  -0.00070  -0.00071  -3.02311
   D70        0.10887   0.00139   0.00000   0.00080   0.00080   0.10967
   D71       -2.54726   0.00476   0.00000   0.00290   0.00290  -2.54436
   D72        0.57271   0.00356   0.00000   0.00209   0.00209   0.57480
   D73        0.64967   0.00469   0.00000   0.00286   0.00286   0.65253
   D74       -2.51355   0.00349   0.00000   0.00206   0.00206  -2.51149
   D75       -0.00352   0.00031   0.00000   0.00013   0.00013  -0.00338
   D76       -3.02793   0.00336   0.00000   0.00154   0.00152  -3.02640
   D77       -3.13513  -0.00227   0.00000  -0.00133  -0.00132  -3.13645
   D78        0.12364   0.00078   0.00000   0.00008   0.00007   0.12371
   D79        0.12738  -0.00065   0.00000  -0.00013  -0.00013   0.12725
   D80       -2.78208  -0.00683   0.00000  -0.00401  -0.00401  -2.78609
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   D82        0.49216  -0.00275   0.00000  -0.00141  -0.00141   0.49075
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   D302       1.40309  -0.01397   0.00000  -0.00795  -0.00795   1.39514
   D303      -2.67827  -0.02106   0.00000  -0.01035  -0.01052  -2.68880
   D304      -0.80341   0.03130   0.00000   0.01601   0.01618  -0.78723
   D305      -2.68021   0.00223   0.00000   0.00175   0.00174  -2.67846
   D306      -0.64031   0.00921   0.00000   0.00517   0.00518  -0.63513
   D307       1.45205   0.00180   0.00000   0.00120   0.00120   1.45325
   D308      -3.00479  -0.00917   0.00000  -0.00511  -0.00512  -3.00990
   D309      -1.03010   0.00049   0.00000   0.00023   0.00023  -1.02987
   D310       1.02773   0.00467   0.00000   0.00241   0.00241   1.03014
   D311      -2.91730  -0.00427   0.00000  -0.00247  -0.00247  -2.91977
   D312      -0.78453  -0.00673   0.00000  -0.00387  -0.00388  -0.78841
   D313       1.21630  -0.00213   0.00000  -0.00124  -0.00124   1.21506
   D314       1.33219   0.00430   0.00000   0.00243   0.00243   1.33462
   D315      -2.81823   0.00185   0.00000   0.00102   0.00102  -2.81721
   D316      -0.81740   0.00644   0.00000   0.00365   0.00366  -0.81374
   D317      -0.76311  -0.00157   0.00000  -0.00093  -0.00093  -0.76404
   D318       1.36966  -0.00402   0.00000  -0.00234  -0.00234   1.36732
   D319      -2.91269   0.00057   0.00000   0.00030   0.00030  -2.91240
   D320      -0.82961   0.01231   0.00000   0.00743   0.00744  -0.82217
   D321       1.23575   0.00484   0.00000   0.00351   0.00351   1.23926
   D322      -2.93890   0.01373   0.00000   0.00846   0.00846  -2.93044
   D323      -2.70734   0.00121   0.00000   0.00069   0.00069  -2.70665
   D324      -0.64766   0.00297   0.00000   0.00172   0.00172  -0.64594
   D325       1.36641   0.00662   0.00000   0.00385   0.00385   1.37026
   D326       1.64701  -0.01097   0.00000  -0.00640  -0.00640   1.64061
   D327      -2.57650  -0.00922   0.00000  -0.00537  -0.00537  -2.58187
   D328      -0.56243  -0.00557   0.00000  -0.00324  -0.00324  -0.56567
   D329      -0.60362   0.00027   0.00000   0.00006   0.00006  -0.60356
   D330       1.45606   0.00202   0.00000   0.00110   0.00109   1.45715
   D331      -2.81305   0.00567   0.00000   0.00322   0.00322  -2.80983
         Item               Value     Threshold  Converged?
 Maximum Force            0.179665     0.000450     NO 
 RMS     Force            0.034352     0.000300     NO 
 Maximum Displacement     0.293190     0.001800     NO 
 RMS     Displacement     0.065553     0.001200     NO 
 Predicted change in Energy=-2.424972D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.433669    3.326112    0.171431
      2          6           0       -2.577293    1.988912    0.053472
      3          6           0       -1.641078    1.023033    0.041592
      4          6           0       -0.332306    1.429496   -0.055209
      5          6           0       -0.147902    2.745960    0.162971
      6          6           0       -1.132012    3.653758    0.309065
      7          6           0       -1.884710   -0.303362   -0.042919
      8          6           0       -0.807447   -1.161390   -0.214766
      9          6           0        0.512000   -0.852137   -0.176309
     10          6           0        0.680018    0.539312   -0.178388
     11          6           0       -3.114231   -0.858739   -0.071604
     12          6           0       -3.441713   -2.155033   -0.263989
     13          6           0       -2.375614   -2.893715   -0.633383
     14          6           0       -1.066611   -2.451602   -0.624465
     15          7           0        1.645334   -1.561509   -0.075379
     16          6           0        2.833061   -0.983583   -0.217330
     17          6           0        2.854085    0.342108   -0.313619
     18          7           0        1.817315    1.060657   -0.268260
     19          6           0        4.016963   -1.594737   -0.522239
     20          6           0        5.231113   -0.989809   -0.528171
     21          6           0        5.270038    0.365358   -0.505178
     22          6           0        4.042011    0.964175   -0.492033
     23          7           0       -3.433015    4.188601    0.101014
     24          7           0       -4.587899   -2.774710   -0.204936
     25          7           0        6.468967    0.941698   -0.544674
     26          6           0       -4.788924   -4.041616    0.219779
     27          6           0       -6.145723   -4.315581    0.179597
     28          6           0       -6.732842   -3.182098   -0.288133
     29          6           0       -5.747424   -2.303076   -0.513548
     30          6           0       -3.531134    5.392753    0.646938
     31          6           0       -4.641875    6.045086    0.395686
     32          6           0       -5.328853    5.236364   -0.447881
     33          6           0       -4.543366    4.114798   -0.598112
     34          6           0        6.697782    2.138045   -0.106369
     35          6           0        7.976522    2.488695   -0.307735
     36          6           0        8.529372    1.436607   -0.913440
     37          6           0        7.588077    0.463682   -1.031557
     38          6           0       -8.018874   -2.935299   -0.656215
     39          6           0       -8.272434   -1.758651   -1.174183
     40          6           0       -7.355184   -0.745648   -1.375484
     41          6           0       -6.107107   -1.127584   -1.080658
     42          6           0       -4.058808   -5.022294    0.760987
     43          6           0       -4.582900   -6.202551    1.138002
     44          6           0       -5.934830   -6.383867    1.104558
     45          6           0       -6.720022   -5.437331    0.563087
     46          6           0       -6.489176    5.396382   -1.121664
     47          6           0       -6.850452    4.492752   -2.106598
     48          6           0       -6.017113    3.425441   -2.286294
     49          6           0       -4.930157    3.213531   -1.534280
     50          6           0       -2.729077    6.001928    1.545784
     51          6           0       -2.960671    7.279465    1.913865
     52          6           0       -4.044529    7.970500    1.528319
     53          6           0       -4.953620    7.307404    0.796127
     54          6           0        9.795046    1.163590   -1.316682
     55          6           0       10.194424    0.009602   -1.827861
     56          6           0        9.261210   -0.918091   -2.069958
     57          6           0        7.977206   -0.691977   -1.691170
     58          6           0        5.962907    2.951201    0.694338
     59          6           0        6.541223    4.066151    1.265055
     60          6           0        7.810863    4.337608    0.896172
     61          6           0        8.555057    3.675965   -0.008237
     62          8           0        0.383730   -3.657195    1.245461
     63         15           0        1.578904   -3.251565    0.456804
     64          8           0        2.934028   -3.680328    1.348987
     65          8           0        1.478374   -4.548979   -0.673391
     66          6           0        2.752762   -4.209231    2.634983
     67          6           0        3.953667   -3.928399    3.468328
     68          6           0        2.647783   -5.017887   -1.354066
     69          6           0        2.136627   -6.005711   -2.376363
     70          1           0       -3.649663    1.700341    0.226155
     71          1           0        0.860208    3.227337    0.196716
     72          1           0       -0.706650    4.709414    0.394915
     73          1           0       -3.929387   -0.214045    0.146999
     74          1           0       -2.532340   -3.969549   -0.975804
     75          1           0       -0.480409   -3.242135   -1.087030
     76          1           0        4.094943   -2.689980   -0.458672
     77          1           0        6.004385   -1.684927   -0.460754
     78          1           0        4.128737    2.000160   -0.603331
     79          1           0       -8.826845   -3.642086   -0.486649
     80          1           0       -9.341704   -1.517784   -1.416770
     81          1           0       -7.635110    0.293848   -1.748407
     82          1           0       -5.446183   -0.253223   -1.126179
     83          1           0       -2.924503   -4.821671    0.962004
     84          1           0       -3.829440   -6.936661    1.467832
     85          1           0       -6.311192   -7.354776    1.446812
     86          1           0       -7.781521   -5.663306    0.455768
     87          1           0       -7.167185    6.323797   -1.011070
     88          1           0       -7.801808    4.679171   -2.647921
     89          1           0       -6.319510    2.633233   -3.029860
     90          1           0       -4.259333    2.359909   -1.806439
     91          1           0       -1.824052    5.576197    2.084443
     92          1           0       -2.352697    7.880980    2.593445
     93          1           0       -4.174884    9.007029    1.768363
     94          1           0       -5.912885    7.739786    0.517299
     95          1           0       10.598491    1.948600   -1.380764
     96          1           0       11.211067   -0.227608   -2.204091
     97          1           0        9.479762   -1.843624   -2.656093
     98          1           0        7.248514   -1.481078   -1.997236
     99          1           0        4.972629    2.727999    1.076163
    100          1           0        5.995597    4.726128    1.919289
    101          1           0        8.269683    5.214513    1.320818
    102          1           0        9.598740    3.983467   -0.224016
    103          1           0        1.859771   -3.659212    3.097720
    104          1           0        2.536276   -5.321603    2.597510
    105          1           0        3.949217   -4.503972    4.387485
    106          1           0        4.904185   -4.170521    2.838503
    107          1           0        3.992662   -2.826961    3.678106
    108          1           0        3.022333   -4.134580   -1.894030
    109          1           0        3.373314   -5.351243   -0.573271
    110          1           0        2.889520   -6.779295   -2.690129
    111          1           0        1.313898   -6.560217   -1.963905
    112          1           0        1.698096   -5.497735   -3.293583
    113         17           0        1.617466   -0.622968    2.970618
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0368027           0.0198215           0.0139322
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10900.6683388910 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.05D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999997    0.001891    0.000257   -0.001406 Ang=   0.27 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 EnCoef did     3 forward-backward iterations
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3612.92044501     A.U. after   21 cycles
            NFock= 21  Conv=0.32D-08     -V/T= 2.0051
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.042878565   -0.019396476   -0.002898299
      2        6          -0.109965022   -0.036985041    0.026888916
      3        6           0.009772349    0.050614662   -0.006846043
      4        6          -0.054396903    0.011503174    0.015508301
      5        6           0.061490860    0.059485709   -0.002390171
      6        6           0.040110924    0.092169028   -0.001837439
      7        6           0.007665895   -0.059741061   -0.004727261
      8        6           0.014888094   -0.069532303   -0.013991197
      9        6           0.005823392    0.053174289    0.019743683
     10        6           0.026481840   -0.026101503    0.003222808
     11        6          -0.065164279    0.033763440    0.019395513
     12        6           0.067364320    0.016073932   -0.007907214
     13        6           0.057223844   -0.074662803   -0.027564365
     14        6          -0.048894696   -0.056598233   -0.011390753
     15        7          -0.017335764   -0.077666227   -0.008205694
     16        6           0.032008957   -0.033106200   -0.016148607
     17        6           0.049556087    0.027051989   -0.006064850
     18        7          -0.014547546    0.091998055   -0.009904335
     19        6           0.015171186   -0.073024511    0.024846295
     20        6          -0.022794185   -0.037769061    0.002997189
     21        6          -0.025777335   -0.032728189   -0.001723753
     22        6           0.054068389    0.048789979   -0.008675269
     23        7          -0.006387186    0.006804702    0.011013805
     24        7           0.023552443   -0.019976020    0.022668591
     25        7          -0.050961384   -0.034262354   -0.004189388
     26        6          -0.016465434   -0.039416118    0.018099623
     27        6           0.008291029    0.021809822   -0.011147197
     28        6          -0.040000309   -0.018220050   -0.010949519
     29        6          -0.077957343    0.058542343   -0.032174049
     30        6           0.083803280    0.039360401    0.070825311
     31        6          -0.062587084    0.039877250   -0.011646257
     32        6          -0.029409916   -0.023998872   -0.014552831
     33        6          -0.055183368   -0.046333857   -0.052826293
     34        6          -0.035703011    0.084811031    0.051792344
     35        6           0.030123968    0.047698133   -0.026865593
     36        6           0.061450557   -0.039771341   -0.029539775
     37        6           0.058139220   -0.055909751   -0.042107399
     38        6          -0.011227561   -0.048379741    0.024163106
     39        6          -0.107521965    0.058646264   -0.040275331
     40        6          -0.035151472    0.008250042   -0.014646994
     41        6           0.047604585    0.100140288   -0.010241425
     42        6           0.122655019    0.039855757    0.010826531
     43        6           0.033064575   -0.025098047    0.021105898
     44        6           0.011322055   -0.065929230    0.017607067
     45        6          -0.047231358   -0.057785932    0.018013008
     46        6          -0.067248916    0.034174131   -0.025505803
     47        6          -0.033820881    0.021941661    0.006291539
     48        6          -0.042123367   -0.053400011   -0.052234006
     49        6           0.062561627   -0.052376649   -0.013868440
     50        6           0.093852603   -0.000764624    0.054099904
     51        6           0.031996273    0.039536088    0.036993866
     52        6          -0.032044407    0.033322264   -0.007128144
     53        6          -0.040365888    0.013681141   -0.010150296
     54        6           0.060208928    0.087161600   -0.003812399
     55        6           0.066282052   -0.023398978   -0.031525827
     56        6          -0.012638578   -0.064326729   -0.023763776
     57        6          -0.051794603   -0.054624376   -0.009042332
     58        6          -0.054855270    0.012370237    0.042425822
     59        6          -0.023014914   -0.017445157   -0.003949791
     60        6           0.026755475    0.085345136    0.016477826
     61        6           0.026279530    0.011547026    0.014618959
     62        8          -0.008758115    0.030322791   -0.004094489
     63       15          -0.008004451   -0.102843182    0.071050659
     64        8          -0.005894645    0.030593622   -0.070965167
     65        8           0.005368887    0.051445943    0.006854952
     66        6          -0.050702096   -0.014821411    0.045746545
     67        6           0.041757718    0.027223695   -0.028374080
     68        6           0.001914204    0.017755792   -0.006398389
     69        6           0.007839525   -0.013653104   -0.027515296
     70        1           0.020313743   -0.000679128   -0.011643654
     71        1          -0.010814202   -0.023223232   -0.000248232
     72        1          -0.020920455   -0.028824752    0.001476779
     73        1          -0.011568209    0.011320435    0.003318076
     74        1          -0.000936191    0.032002547    0.006138404
     75        1           0.017575275    0.019911493    0.005577815
     76        1          -0.007768707    0.006029240   -0.003470697
     77        1           0.032950455   -0.003410273   -0.003153421
     78        1          -0.021623550    0.027012660   -0.002704433
     79        1           0.003716201   -0.001744677   -0.000409363
     80        1           0.017050428   -0.003189729    0.002328070
     81        1           0.013830086   -0.029792550    0.011442206
     82        1           0.012857877   -0.012834265   -0.004982689
     83        1          -0.037863640   -0.017669585   -0.007948257
     84        1          -0.016871277   -0.001303151    0.003375079
     85        1          -0.004941399    0.005899517   -0.003313754
     86        1          -0.000456935    0.009864520    0.000599057
     87        1           0.029276118   -0.023760768    0.002928771
     88        1           0.017184570   -0.006862686    0.002957433
     89        1           0.007657345    0.019084874    0.011179169
     90        1          -0.015788194    0.011470366    0.007512109
     91        1          -0.023420753   -0.004450927   -0.021892847
     92        1           0.014687248   -0.015016841    0.000238667
     93        1          -0.002887909    0.008325115    0.006568533
     94        1           0.002433513    0.000425429   -0.001803230
     95        1          -0.018681135   -0.008143215    0.014440089
     96        1          -0.010485603    0.013287400    0.009605948
     97        1          -0.003331799    0.014371331    0.012802168
     98        1           0.007825063    0.017659883    0.007200202
     99        1          -0.001474342   -0.005801137   -0.007317971
    100        1          -0.002217613   -0.001221483    0.004848230
    101        1           0.000196066    0.011432266    0.004305706
    102        1          -0.014695534   -0.011675937    0.000507674
    103        1           0.022215808   -0.018023015   -0.009084896
    104        1          -0.001067608    0.020791282   -0.005909163
    105        1           0.000852445   -0.001787790    0.003944092
    106        1          -0.025367939    0.001098838    0.024794826
    107        1           0.002507395   -0.017126137    0.001547921
    108        1           0.014777825   -0.005440079    0.001242903
    109        1          -0.006072300   -0.004746176   -0.016455557
    110        1          -0.010372436    0.016072231    0.002036886
    111        1          -0.007836796   -0.008831671    0.009885500
    112        1           0.016266749   -0.005496872    0.019082694
    113       17          -0.000108688   -0.001797628   -0.005059370
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.122655019 RMS     0.034374138

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.132887782 RMS     0.026425682
 Search for a local minimum.
 Step number   2 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -2.37D-01 DEPred=-2.42D-01 R= 9.76D-01
 TightC=F SS=  1.41D+00  RLast= 3.04D-01 DXNew= 5.0454D-01 9.1280D-01
 Trust test= 9.76D-01 RLast= 3.04D-01 DXMaxT set to 5.05D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.600 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  2.00000.
 Iteration  1 RMS(Cart)=  0.13021154 RMS(Int)=  0.00064245
 Iteration  2 RMS(Cart)=  0.00194428 RMS(Int)=  0.00014938
 Iteration  3 RMS(Cart)=  0.00000121 RMS(Int)=  0.00014938
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00014938
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.55123   0.05781   0.05055   0.00000   0.05058   2.60181
    R2        2.54980   0.06811   0.05975   0.00000   0.05977   2.60957
    R3        2.49811   0.07914   0.06433   0.00000   0.06433   2.56244
    R4        2.54206   0.05676   0.04889   0.00000   0.04890   2.59096
    R5        2.12380  -0.02044  -0.01913   0.00000  -0.01913   2.10466
    R6        2.59620   0.06019   0.05803   0.00000   0.05803   2.65423
    R7        2.55345   0.10430   0.09002   0.00000   0.09000   2.64345
    R8        2.54565   0.06209   0.05424   0.00000   0.05421   2.59987
    R9        2.55805   0.10318   0.09234   0.00000   0.09238   2.65043
   R10        2.54511   0.04752   0.04134   0.00000   0.04132   2.58644
   R11        2.11206  -0.02168  -0.02119   0.00000  -0.02119   2.09087
   R12        2.15687  -0.03312  -0.03232   0.00000  -0.03232   2.12455
   R13        2.62273   0.04949   0.04522   0.00000   0.04520   2.66793
   R14        2.55007   0.04963   0.04359   0.00000   0.04364   2.59371
   R15        2.56200   0.08231   0.06989   0.00000   0.06987   2.63186
   R16        2.60458   0.04788   0.04328   0.00000   0.04324   2.64782
   R17        2.64856   0.06626   0.06152   0.00000   0.06139   2.70995
   R18        2.53381   0.04401   0.03495   0.00000   0.03473   2.56854
   R19        2.37032   0.10350   0.07898   0.00000   0.07906   2.44938
   R20        2.55262   0.05409   0.04900   0.00000   0.04904   2.60166
   R21        2.00693   0.01613   0.01544   0.00000   0.01544   2.02238
   R22        2.54845   0.07196   0.06428   0.00000   0.06426   2.61271
   R23        2.46479   0.10586   0.08544   0.00000   0.08544   2.55023
   R24        2.61099   0.00702   0.00698   0.00000   0.00694   2.61793
   R25        2.15398  -0.03247  -0.03207   0.00000  -0.03207   2.12191
   R26        2.05498  -0.00477  -0.00448   0.00000  -0.00448   2.05050
   R27        2.51045   0.07228   0.05735   0.00000   0.05727   2.56772
   R28        3.35069   0.00249   0.00193   0.00000   0.00193   3.35263
   R29        2.51211   0.10077   0.08656   0.00000   0.08675   2.59886
   R30        2.58285   0.03484   0.03029   0.00000   0.03024   2.61309
   R31        2.38530   0.11080   0.08413   0.00000   0.08436   2.46966
   R32        2.55635   0.06145   0.05616   0.00000   0.05624   2.61259
   R33        2.56344   0.04010   0.03501   0.00000   0.03494   2.59838
   R34        2.07842  -0.00776  -0.00633   0.00000  -0.00633   2.07209
   R35        2.56232   0.07763   0.06915   0.00000   0.06913   2.63144
   R36        1.96902   0.02881   0.02641   0.00000   0.02641   1.99544
   R37        2.58195   0.03194   0.02995   0.00000   0.02999   2.61195
   R38        2.51494   0.08575   0.07369   0.00000   0.07369   2.58863
   R39        1.97580   0.02810   0.02610   0.00000   0.02610   2.00190
   R40        2.50533   0.08735   0.07450   0.00000   0.07476   2.58009
   R41        2.48346   0.11082   0.09021   0.00000   0.09009   2.57355
   R42        2.55347   0.06803   0.06008   0.00000   0.05991   2.61337
   R43        2.43634   0.13165   0.10336   0.00000   0.10355   2.53989
   R44        2.44624   0.13289   0.10561   0.00000   0.10570   2.55194
   R45        2.47688   0.11060   0.09004   0.00000   0.09001   2.56689
   R46        2.61683   0.04968   0.04464   0.00000   0.04443   2.66126
   R47        2.52666   0.06921   0.05931   0.00000   0.05933   2.58599
   R48        2.56910   0.09659   0.08379   0.00000   0.08379   2.65289
   R49        2.48928   0.08918   0.07334   0.00000   0.07339   2.56268
   R50        2.53148   0.07483   0.06606   0.00000   0.06636   2.59785
   R51        2.57049   0.05238   0.04822   0.00000   0.04818   2.61867
   R52        2.55831   0.05564   0.05021   0.00000   0.05026   2.60857
   R53        2.48009   0.10693   0.08855   0.00000   0.08894   2.56903
   R54        2.55100   0.06241   0.05659   0.00000   0.05658   2.60758
   R55        2.56166   0.10801   0.09528   0.00000   0.09520   2.65686
   R56        2.57099   0.04380   0.03951   0.00000   0.03962   2.61061
   R57        2.60307   0.04933   0.04377   0.00000   0.04344   2.64651
   R58        2.55353   0.04773   0.04117   0.00000   0.04112   2.59466
   R59        2.56217   0.05114   0.04638   0.00000   0.04641   2.60858
   R60        2.53440   0.08214   0.07248   0.00000   0.07265   2.60706
   R61        2.56502   0.05429   0.04960   0.00000   0.04954   2.61456
   R62        2.52079   0.12018   0.09936   0.00000   0.09932   2.62011
   R63        2.55917   0.05576   0.05055   0.00000   0.05069   2.60986
   R64        2.56792   0.07846   0.06864   0.00000   0.06853   2.63645
   R65        2.56270   0.04501   0.04029   0.00000   0.04040   2.60311
   R66        2.61988   0.02403   0.02305   0.00000   0.02294   2.64283
   R67        2.47625   0.08626   0.06868   0.00000   0.06863   2.54488
   R68        2.05374  -0.00122  -0.00112   0.00000  -0.00112   2.05262
   R69        2.61032   0.03641   0.03387   0.00000   0.03386   2.64417
   R70        2.12138  -0.01738  -0.01588   0.00000  -0.01588   2.10551
   R71        2.52863   0.06267   0.05277   0.00000   0.05282   2.58145
   R72        2.15295  -0.03475  -0.03443   0.00000  -0.03443   2.11852
   R73        2.07302  -0.00430  -0.00338   0.00000  -0.00338   2.06965
   R74        2.54224   0.05703   0.04877   0.00000   0.04871   2.59095
   R75        2.20969  -0.04214  -0.04119   0.00000  -0.04119   2.16850
   R76        2.57843   0.04076   0.03586   0.00000   0.03577   2.61420
   R77        2.08334  -0.01122  -0.01073   0.00000  -0.01073   2.07261
   R78        2.53931   0.05867   0.05094   0.00000   0.05091   2.59022
   R79        2.07134  -0.00545  -0.00490   0.00000  -0.00490   2.06644
   R80        2.06090  -0.00289  -0.00263   0.00000  -0.00263   2.05827
   R81        2.61655   0.01822   0.01692   0.00000   0.01689   2.63344
   R82        2.18100  -0.03701  -0.03646   0.00000  -0.03646   2.14453
   R83        2.58132   0.03742   0.03274   0.00000   0.03276   2.61408
   R84        2.09824  -0.01680  -0.01632   0.00000  -0.01632   2.08192
   R85        2.52963   0.05626   0.04761   0.00000   0.04765   2.57728
   R86        2.13123  -0.02290  -0.02191   0.00000  -0.02191   2.10932
   R87        2.11510  -0.02048  -0.01966   0.00000  -0.01966   2.09544
   R88        2.55023   0.04335   0.03681   0.00000   0.03670   2.58694
   R89        2.14671  -0.02896  -0.02794   0.00000  -0.02794   2.11877
   R90        2.53598   0.08078   0.06904   0.00000   0.06894   2.60492
   R91        2.06429  -0.00223  -0.00152   0.00000  -0.00152   2.06276
   R92        2.53692   0.05980   0.05158   0.00000   0.05158   2.58849
   R93        2.02563   0.00986   0.00955   0.00000   0.00955   2.03518
   R94        2.05702  -0.00170  -0.00155   0.00000  -0.00155   2.05547
   R95        2.50165   0.06865   0.05684   0.00000   0.05695   2.55860
   R96        2.12615  -0.01938  -0.01810   0.00000  -0.01810   2.10805
   R97        2.52836   0.07970   0.06866   0.00000   0.06866   2.59702
   R98        2.09698  -0.01461  -0.01375   0.00000  -0.01375   2.08323
   R99        2.56563   0.03761   0.03237   0.00000   0.03227   2.59790
   R100       2.11103  -0.01909  -0.01834   0.00000  -0.01834   2.09269
   R101       2.11054  -0.02008  -0.01934   0.00000  -0.01934   2.09120
   R102       2.60705   0.02539   0.02365   0.00000   0.02351   2.63057
   R103       2.04951   0.00024   0.00017   0.00000   0.00017   2.04968
   R104       2.55061   0.05732   0.04853   0.00000   0.04846   2.59907
   R105       2.03644   0.00346   0.00317   0.00000   0.00317   2.03961
   R106       2.54205   0.05449   0.04691   0.00000   0.04697   2.58902
   R107       2.03512   0.01161   0.01201   0.00000   0.01201   2.04714
   R108       2.09614  -0.01775  -0.01751   0.00000  -0.01751   2.07863
   R109       2.81243  -0.00635  -0.00292   0.00000  -0.00292   2.80951
   R110       3.17124  -0.03921  -0.03416   0.00000  -0.03416   3.13708
   R111       3.25710  -0.02923  -0.02403   0.00000  -0.02403   3.23307
   R112       2.64992   0.02794   0.02057   0.00000   0.02057   2.67049
   R113       2.70615   0.02372   0.02171   0.00000   0.02171   2.72785
   R114       2.81278   0.01953   0.01908   0.00000   0.01908   2.83185
   R115       2.16626  -0.03178  -0.03222   0.00000  -0.03222   2.13403
   R116       2.14269  -0.02074  -0.02000   0.00000  -0.02000   2.12268
   R117       2.04942   0.00437   0.00407   0.00000   0.00407   2.05349
   R118       2.20280  -0.03475  -0.03424   0.00000  -0.03424   2.16856
   R119       2.12011  -0.01686  -0.01638   0.00000  -0.01638   2.10374
   R120       2.85478   0.00475   0.00476   0.00000   0.00476   2.85954
   R121       2.08048  -0.00180  -0.00139   0.00000  -0.00139   2.07909
   R122       2.11038  -0.01475  -0.01426   0.00000  -0.01426   2.09612
   R123       2.12435  -0.01807  -0.01755   0.00000  -0.01755   2.10679
   R124       2.03045   0.01480   0.01410   0.00000   0.01410   2.04455
   R125       2.14768  -0.02494  -0.02441   0.00000  -0.02441   2.12327
   R126       5.76092  -0.00134  -0.00196   0.00000  -0.00196   5.75896
    A1        1.93056   0.02526   0.02564   0.00000   0.02567   1.95624
    A2        2.16657  -0.01656  -0.01716   0.00000  -0.01718   2.14939
    A3        2.18496  -0.00864  -0.00841   0.00000  -0.00842   2.17654
    A4        2.26258  -0.02540  -0.02524   0.00000  -0.02522   2.23737
    A5        1.92027   0.02196   0.02316   0.00000   0.02315   1.94343
    A6        2.07267   0.00383   0.00270   0.00000   0.00271   2.07539
    A7        2.03890   0.00531   0.00507   0.00000   0.00510   2.04399
    A8        2.18939  -0.01304  -0.01455   0.00000  -0.01453   2.17486
    A9        2.04629   0.00816   0.01004   0.00000   0.00998   2.05627
   A10        1.99119   0.01474   0.01398   0.00000   0.01393   2.00512
   A11        2.12265  -0.00422  -0.00444   0.00000  -0.00442   2.11824
   A12        2.15919  -0.01024  -0.00914   0.00000  -0.00911   2.15008
   A13        2.18493  -0.01114  -0.01115   0.00000  -0.01121   2.17372
   A14        2.15229  -0.00883  -0.01001   0.00000  -0.00998   2.14231
   A15        1.94496   0.02002   0.02121   0.00000   0.02123   1.96619
   A16        2.12958  -0.00734  -0.00656   0.00000  -0.00657   2.12301
   A17        2.20407  -0.00993  -0.01149   0.00000  -0.01149   2.19257
   A18        1.93827   0.01774   0.01863   0.00000   0.01864   1.95691
   A19        2.06537   0.00719   0.00698   0.00000   0.00687   2.07224
   A20        2.17682  -0.01321  -0.01273   0.00000  -0.01270   2.16413
   A21        2.03772   0.00623   0.00601   0.00000   0.00608   2.04381
   A22        2.22796  -0.02619  -0.02804   0.00000  -0.02812   2.19984
   A23        2.05961  -0.00296  -0.00362   0.00000  -0.00360   2.05601
   A24        1.98773   0.02915   0.03170   0.00000   0.03176   2.01950
   A25        1.92100   0.03791   0.04206   0.00000   0.04222   1.96322
   A26        2.35190  -0.04786  -0.04851   0.00000  -0.04831   2.30360
   A27        2.00868   0.01007   0.00658   0.00000   0.00621   2.01489
   A28        2.16891  -0.02321  -0.02696   0.00000  -0.02688   2.14203
   A29        1.99463   0.02051   0.02806   0.00000   0.02810   2.02273
   A30        2.11934   0.00271  -0.00110   0.00000  -0.00121   2.11813
   A31        2.23811  -0.01941  -0.01747   0.00000  -0.01742   2.22069
   A32        2.03212   0.00614   0.00436   0.00000   0.00433   2.03645
   A33        2.01063   0.01325   0.01310   0.00000   0.01307   2.02370
   A34        1.95304   0.01319   0.01245   0.00000   0.01247   1.96551
   A35        2.29499  -0.03926  -0.04269   0.00000  -0.04270   2.25229
   A36        2.03405   0.02604   0.03021   0.00000   0.03020   2.06425
   A37        2.17964  -0.01222  -0.01201   0.00000  -0.01208   2.16756
   A38        2.08355   0.00478   0.00543   0.00000   0.00546   2.08901
   A39        2.01997   0.00745   0.00660   0.00000   0.00663   2.02660
   A40        2.07099   0.01533   0.01482   0.00000   0.01474   2.08573
   A41        2.35405  -0.03434  -0.03630   0.00000  -0.03627   2.31778
   A42        1.84975   0.01904   0.02151   0.00000   0.02157   1.87132
   A43        2.11472   0.01097   0.01002   0.00000   0.00973   2.12445
   A44        2.08886  -0.00100  -0.00117   0.00000  -0.00103   2.08783
   A45        2.07170  -0.01041  -0.00944   0.00000  -0.00931   2.06239
   A46        2.04397   0.00579   0.00559   0.00000   0.00565   2.04962
   A47        2.21898  -0.01405  -0.01591   0.00000  -0.01596   2.20302
   A48        1.99990   0.00905   0.01140   0.00000   0.01138   2.01129
   A49        2.15568  -0.01999  -0.02070   0.00000  -0.02040   2.13528
   A50        2.07376   0.00252   0.00255   0.00000   0.00251   2.07627
   A51        2.05358   0.01748   0.01817   0.00000   0.01792   2.07150
   A52        2.10680  -0.00970  -0.00064   0.00000  -0.00021   2.10659
   A53        2.18568  -0.01769  -0.01922   0.00000  -0.01932   2.16636
   A54        2.08724   0.00354   0.00331   0.00000   0.00337   2.09061
   A55        1.96153   0.01565   0.01790   0.00000   0.01793   1.97946
   A56        2.06158   0.01678   0.01833   0.00000   0.01827   2.07985
   A57        1.94600   0.00732   0.00750   0.00000   0.00753   1.95353
   A58        2.27097  -0.02403  -0.02578   0.00000  -0.02575   2.24522
   A59        1.99587   0.00979   0.00759   0.00000   0.00764   2.00351
   A60        2.04674   0.02131   0.02460   0.00000   0.02458   2.07132
   A61        2.23977  -0.03104  -0.03209   0.00000  -0.03212   2.20766
   A62        2.20062  -0.01840  -0.01791   0.00000  -0.01776   2.18285
   A63        2.14423  -0.01081  -0.01344   0.00000  -0.01352   2.13071
   A64        1.93766   0.02929   0.03146   0.00000   0.03139   1.96905
   A65        2.24799  -0.01580  -0.01880   0.00000  -0.01887   2.22912
   A66        2.25287  -0.01675  -0.01948   0.00000  -0.01957   2.23331
   A67        1.77985   0.03263   0.03839   0.00000   0.03855   1.81840
   A68        2.20237  -0.00708  -0.00858   0.00000  -0.00860   2.19377
   A69        2.22145   0.00021  -0.00162   0.00000  -0.00163   2.21981
   A70        1.85920   0.00686   0.01017   0.00000   0.01020   1.86941
   A71        2.15246   0.00999   0.01033   0.00000   0.01028   2.16275
   A72        2.24244  -0.00789  -0.01048   0.00000  -0.01052   2.23192
   A73        1.88799  -0.00211   0.00014   0.00000   0.00022   1.88822
   A74        1.89879   0.00028  -0.00309   0.00000  -0.00351   1.89528
   A75        2.39451  -0.02260  -0.01994   0.00000  -0.01977   2.37475
   A76        1.98414   0.02229   0.02300   0.00000   0.02325   2.00739
   A77        1.84229   0.01682   0.01429   0.00000   0.01401   1.85631
   A78        2.19839  -0.02835  -0.02844   0.00000  -0.02824   2.17015
   A79        2.24192   0.01150   0.01412   0.00000   0.01420   2.25612
   A80        1.86220  -0.00137  -0.00176   0.00000  -0.00148   1.86072
   A81        2.28190   0.01077   0.01050   0.00000   0.01033   2.29223
   A82        2.13044  -0.00898  -0.00821   0.00000  -0.00834   2.12210
   A83        1.96196  -0.02255  -0.01954   0.00000  -0.01917   1.94279
   A84        2.28745   0.00609   0.00477   0.00000   0.00449   2.29194
   A85        2.03175   0.01637   0.01465   0.00000   0.01455   2.04631
   A86        2.02112  -0.04172  -0.04451   0.00000  -0.04413   1.97700
   A87        2.26540   0.01366   0.01405   0.00000   0.01376   2.27916
   A88        1.98889   0.02826   0.03071   0.00000   0.03062   2.01951
   A89        1.82503   0.01418   0.01661   0.00000   0.01669   1.84172
   A90        2.21275  -0.03067  -0.03225   0.00000  -0.03211   2.18064
   A91        2.24027   0.01672   0.01594   0.00000   0.01572   2.25599
   A92        1.83862   0.00989   0.00828   0.00000   0.00799   1.84662
   A93        2.31151   0.00210   0.00450   0.00000   0.00473   2.31623
   A94        2.13139  -0.01200  -0.01277   0.00000  -0.01271   2.11868
   A95        1.95848  -0.01484  -0.01859   0.00000  -0.01893   1.93955
   A96        2.27271   0.00501   0.00800   0.00000   0.00820   2.28091
   A97        2.04189   0.00998   0.01076   0.00000   0.01090   2.05279
   A98        1.93835  -0.01406  -0.01313   0.00000  -0.01297   1.92538
   A99        2.28855   0.00460   0.00524   0.00000   0.00514   2.29369
   A100       2.03549   0.00987   0.00841   0.00000   0.00835   2.04384
   A101       1.83084   0.01301   0.01239   0.00000   0.01235   1.84319
   A102       2.21847  -0.03149  -0.03149   0.00000  -0.03131   2.18715
   A103       2.23296   0.01860   0.01926   0.00000   0.01911   2.25207
   A104       1.89344  -0.00161  -0.00460   0.00000  -0.00477   1.88867
   A105       2.31938  -0.00479  -0.00337   0.00000  -0.00335   2.31603
   A106       2.06748   0.00648   0.00806   0.00000   0.00821   2.07569
   A107       1.87343   0.00479   0.00523   0.00000   0.00519   1.87862
   A108       2.37516  -0.01966  -0.01819   0.00000  -0.01808   2.35709
   A109       2.03057   0.01489   0.01298   0.00000   0.01291   2.04349
   A110       2.04073   0.00800   0.00994   0.00000   0.00989   2.05063
   A111       2.14441  -0.00760  -0.00896   0.00000  -0.00894   2.13547
   A112       2.09646  -0.00032  -0.00086   0.00000  -0.00084   2.09562
   A113       2.19892  -0.02203  -0.02395   0.00000  -0.02395   2.17497
   A114       2.05149   0.00976   0.01079   0.00000   0.01079   2.06229
   A115       2.03047   0.01237   0.01329   0.00000   0.01329   2.04376
   A116       1.95836   0.03568   0.03768   0.00000   0.03778   1.99614
   A117       2.15756  -0.01678  -0.01792   0.00000  -0.01797   2.13959
   A118       2.16727  -0.01890  -0.01976   0.00000  -0.01981   2.14746
   A119       2.19932  -0.02867  -0.02961   0.00000  -0.02945   2.16987
   A120       2.15242   0.00032  -0.00057   0.00000  -0.00063   2.15179
   A121       1.90213   0.02927   0.03150   0.00000   0.03143   1.93356
   A122       2.14622  -0.01220  -0.01269   0.00000  -0.01277   2.13345
   A123       2.06401   0.01034   0.01156   0.00000   0.01160   2.07561
   A124       2.07174   0.00188   0.00115   0.00000   0.00119   2.07293
   A125       2.08946   0.00714   0.00620   0.00000   0.00601   2.09546
   A126       1.98427   0.00933   0.01117   0.00000   0.01127   1.99554
   A127       2.20933  -0.01644  -0.01734   0.00000  -0.01725   2.19208
   A128       2.08891   0.00297   0.00252   0.00000   0.00235   2.09126
   A129       2.03786   0.00524   0.00588   0.00000   0.00595   2.04382
   A130       2.15212  -0.00786  -0.00795   0.00000  -0.00787   2.14424
   A131       2.05150   0.00859   0.00998   0.00000   0.00995   2.06145
   A132       2.17993  -0.01282  -0.01422   0.00000  -0.01420   2.16572
   A133       2.05155   0.00425   0.00426   0.00000   0.00427   2.05582
   A134       2.09608   0.00418   0.00398   0.00000   0.00385   2.09993
   A135       2.15534  -0.01041  -0.01089   0.00000  -0.01083   2.14451
   A136       2.02562   0.00655   0.00732   0.00000   0.00738   2.03300
   A137       2.03122   0.01542   0.01520   0.00000   0.01513   2.04634
   A138       2.04968   0.00096   0.00175   0.00000   0.00178   2.05146
   A139       2.20156  -0.01631  -0.01686   0.00000  -0.01682   2.18474
   A140       2.14738  -0.00731  -0.00770   0.00000  -0.00770   2.13968
   A141       2.06236   0.00529   0.00546   0.00000   0.00546   2.06783
   A142       2.06793   0.00230   0.00259   0.00000   0.00259   2.07052
   A143       2.11100  -0.00993  -0.00903   0.00000  -0.00902   2.10198
   A144       2.09888   0.00527   0.00517   0.00000   0.00517   2.10405
   A145       2.06099   0.00511   0.00445   0.00000   0.00444   2.06543
   A146       2.10231  -0.01207  -0.01229   0.00000  -0.01235   2.08996
   A147       2.23949  -0.00917  -0.00996   0.00000  -0.00993   2.22956
   A148       1.94138   0.02123   0.02224   0.00000   0.02227   1.96365
   A149       2.15042  -0.00611  -0.00799   0.00000  -0.00813   2.14229
   A150       2.20861  -0.01855  -0.02035   0.00000  -0.02028   2.18833
   A151       1.92271   0.02471   0.02840   0.00000   0.02847   1.95118
   A152       2.03674   0.01761   0.01862   0.00000   0.01858   2.05532
   A153       2.13154  -0.01043  -0.01098   0.00000  -0.01095   2.12059
   A154       2.11462  -0.00718  -0.00764   0.00000  -0.00762   2.10700
   A155       2.05291   0.00408   0.00451   0.00000   0.00468   2.05758
   A156       2.08873  -0.00213  -0.00274   0.00000  -0.00283   2.08590
   A157       2.14155  -0.00195  -0.00176   0.00000  -0.00185   2.13970
   A158       2.17959  -0.02408  -0.02457   0.00000  -0.02438   2.15521
   A159       2.14474  -0.00213  -0.00352   0.00000  -0.00361   2.14113
   A160       1.95065   0.02628   0.02822   0.00000   0.02813   1.97877
   A161       2.05315   0.00483   0.00654   0.00000   0.00663   2.05978
   A162       2.20639  -0.01554  -0.01783   0.00000  -0.01788   2.18851
   A163       2.01468   0.01120   0.01191   0.00000   0.01187   2.02655
   A164       2.08712   0.00849   0.00944   0.00000   0.00931   2.09643
   A165       2.13287  -0.00531  -0.00542   0.00000  -0.00535   2.12752
   A166       2.05940  -0.00299  -0.00381   0.00000  -0.00375   2.05566
   A167       2.13770  -0.01034  -0.01211   0.00000  -0.01234   2.12536
   A168       2.13674   0.00038   0.00123   0.00000   0.00135   2.13809
   A169       2.00746   0.00998   0.01089   0.00000   0.01101   2.01847
   A170       2.09583  -0.00222  -0.00157   0.00000  -0.00178   2.09405
   A171       2.18797  -0.00723  -0.00758   0.00000  -0.00751   2.18046
   A172       1.98607   0.01048   0.01044   0.00000   0.01053   1.99659
   A173       2.03063   0.02245   0.02293   0.00000   0.02274   2.05337
   A174       2.13395  -0.01373  -0.01421   0.00000  -0.01411   2.11984
   A175       2.11651  -0.00866  -0.00865   0.00000  -0.00855   2.10795
   A176       2.22084  -0.02615  -0.02864   0.00000  -0.02863   2.19222
   A177       2.04515   0.00979   0.01049   0.00000   0.01048   2.05563
   A178       2.01518   0.01651   0.01837   0.00000   0.01835   2.03354
   A179       1.92150   0.02971   0.03324   0.00000   0.03349   1.95499
   A180       2.21676  -0.02015  -0.02199   0.00000  -0.02216   2.19460
   A181       2.11177  -0.00744  -0.00856   0.00000  -0.00869   2.10307
   A182       2.03635  -0.01477  -0.01847   0.00000  -0.01786   2.01849
   A183       1.95287  -0.03235  -0.03743   0.00000  -0.03780   1.91507
   A184       2.12100  -0.03238  -0.03155   0.00000  -0.03169   2.08931
   A185       1.87247   0.03238   0.03749   0.00000   0.03636   1.90882
   A186       1.66642   0.03849   0.04391   0.00000   0.04308   1.70950
   A187       1.77561   0.02664   0.02732   0.00000   0.02576   1.80137
   A188       2.07093  -0.01496  -0.02134   0.00000  -0.02134   2.04959
   A189       2.10660   0.01303   0.01330   0.00000   0.01330   2.11990
   A190       1.91558  -0.00795  -0.00805   0.00000  -0.00798   1.90759
   A191       1.86494  -0.00465  -0.01159   0.00000  -0.01153   1.85341
   A192       1.94378   0.00284   0.00560   0.00000   0.00559   1.94938
   A193       1.88807   0.01083   0.01485   0.00000   0.01481   1.90288
   A194       1.93654   0.00273   0.00226   0.00000   0.00224   1.93878
   A195       1.91274  -0.00381  -0.00325   0.00000  -0.00332   1.90942
   A196       1.95095  -0.00250  -0.00278   0.00000  -0.00277   1.94819
   A197       1.89252   0.00732   0.00835   0.00000   0.00833   1.90085
   A198       1.89437   0.00421   0.00500   0.00000   0.00498   1.89935
   A199       1.92948  -0.00459  -0.00536   0.00000  -0.00535   1.92413
   A200       1.94197  -0.00272  -0.00325   0.00000  -0.00325   1.93872
   A201       1.85106  -0.00125  -0.00141   0.00000  -0.00147   1.84959
   A202       1.83326   0.00451   0.00503   0.00000   0.00502   1.83827
   A203       1.82165   0.00673   0.00891   0.00000   0.00884   1.83049
   A204       1.87124   0.00375   0.00436   0.00000   0.00438   1.87562
   A205       1.88372   0.00426   0.00466   0.00000   0.00456   1.88828
   A206       2.09181  -0.01495  -0.01723   0.00000  -0.01725   2.07456
   A207       1.94054  -0.00106  -0.00169   0.00000  -0.00177   1.93877
   A208       1.99571  -0.00366  -0.00375   0.00000  -0.00377   1.99194
   A209       1.91428  -0.00131  -0.00110   0.00000  -0.00110   1.91319
   A210       1.96539  -0.00387  -0.00440   0.00000  -0.00442   1.96098
   A211       1.83883   0.00384   0.00413   0.00000   0.00414   1.84296
   A212       1.91850   0.00093   0.00053   0.00000   0.00049   1.91900
   A213       1.81833   0.00543   0.00612   0.00000   0.00612   1.82445
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    D1       -0.01530  -0.00042  -0.00062   0.00000  -0.00064  -0.01594
    D2        2.86770   0.00339   0.00414   0.00000   0.00409   2.87180
    D3        3.07839   0.00066   0.00078   0.00000   0.00077   3.07916
    D4       -0.32179   0.00447   0.00555   0.00000   0.00550  -0.31629
    D5        0.13863  -0.00295  -0.00340   0.00000  -0.00339   0.13524
    D6        3.10482   0.00238   0.00288   0.00000   0.00285   3.10766
    D7       -2.95445  -0.00379  -0.00454   0.00000  -0.00456  -2.95900
    D8        0.01174   0.00154   0.00174   0.00000   0.00168   0.01343
    D9        2.67499  -0.00588  -0.00762   0.00000  -0.00759   2.66739
   D10       -0.55601  -0.00284  -0.00384   0.00000  -0.00385  -0.55985
   D11       -0.52147  -0.00379  -0.00515   0.00000  -0.00514  -0.52662
   D12        2.53072  -0.00075  -0.00137   0.00000  -0.00140   2.52932
   D13       -0.18090   0.00557   0.00689   0.00000   0.00685  -0.17406
   D14        3.10579   0.00120   0.00127   0.00000   0.00124   3.10703
   D15       -3.04489  -0.00022  -0.00021   0.00000  -0.00027  -3.04516
   D16        0.24180  -0.00458  -0.00583   0.00000  -0.00587   0.23593
   D17        0.23678  -0.00342  -0.00480   0.00000  -0.00492   0.23186
   D18       -3.05212  -0.00221  -0.00263   0.00000  -0.00270  -3.05482
   D19       -3.03770  -0.00123  -0.00178   0.00000  -0.00179  -3.03948
   D20       -0.04341  -0.00002   0.00040   0.00000   0.00043  -0.04298
   D21        3.00048   0.00254   0.00345   0.00000   0.00343   3.00391
   D22       -0.05126  -0.00065  -0.00049   0.00000  -0.00053  -0.05180
   D23        0.00454  -0.00162  -0.00180   0.00000  -0.00183   0.00271
   D24       -3.04720  -0.00481  -0.00575   0.00000  -0.00579  -3.05300
   D25       -0.13339   0.00338   0.00410   0.00000   0.00405  -0.12934
   D26        3.06075   0.00172   0.00217   0.00000   0.00215   3.06290
   D27       -3.12416   0.00150   0.00135   0.00000   0.00128  -3.12288
   D28        0.06998  -0.00016  -0.00058   0.00000  -0.00062   0.06937
   D29       -0.03727   0.00098   0.00079   0.00000   0.00081  -0.03646
   D30        3.13071   0.00090   0.00066   0.00000   0.00061   3.13132
   D31        2.94253   0.00450   0.00522   0.00000   0.00523   2.94776
   D32       -0.17267   0.00442   0.00508   0.00000   0.00503  -0.16764
   D33       -0.06767   0.00237   0.00279   0.00000   0.00278  -0.06489
   D34       -3.05795  -0.00007  -0.00021   0.00000  -0.00026  -3.05822
   D35        3.02675   0.00321   0.00380   0.00000   0.00379   3.03054
   D36        0.03647   0.00077   0.00080   0.00000   0.00075   0.03721
   D37        0.12845   0.00010  -0.00009   0.00000  -0.00020   0.12825
   D38       -2.86948  -0.00245  -0.00318   0.00000  -0.00330  -2.87277
   D39       -3.09582   0.00202   0.00254   0.00000   0.00251  -3.09332
   D40        0.18943  -0.00053  -0.00055   0.00000  -0.00059   0.18885
   D41        3.03765   0.00161   0.00223   0.00000   0.00227   3.03992
   D42       -0.18145   0.00211   0.00267   0.00000   0.00269  -0.17876
   D43       -0.01539  -0.00160  -0.00172   0.00000  -0.00169  -0.01708
   D44        3.04870  -0.00110  -0.00128   0.00000  -0.00127   3.04743
   D45       -0.19125  -0.00300  -0.00302   0.00000  -0.00307  -0.19432
   D46        2.88430   0.00057   0.00071   0.00000   0.00060   2.88490
   D47        2.81165  -0.00257  -0.00224   0.00000  -0.00237   2.80928
   D48       -0.39599   0.00100   0.00148   0.00000   0.00130  -0.39468
   D49       -0.18188   0.00054   0.00070   0.00000   0.00077  -0.18111
   D50        2.79853   0.00339   0.00386   0.00000   0.00381   2.80234
   D51        3.08401   0.00248   0.00251   0.00000   0.00254   3.08655
   D52       -0.21877   0.00533   0.00567   0.00000   0.00559  -0.21318
   D53        0.14210   0.00264   0.00282   0.00000   0.00290   0.14500
   D54       -3.02769   0.00293   0.00333   0.00000   0.00350  -3.02418
   D55       -2.94772   0.00254   0.00265   0.00000   0.00246  -2.94526
   D56        0.16567   0.00284   0.00317   0.00000   0.00307   0.16874
   D57        3.00466  -0.00661  -0.00712   0.00000  -0.00700   2.99766
   D58       -0.27350  -0.01122  -0.01299   0.00000  -0.01293  -0.28643
   D59       -0.20543  -0.00228  -0.00242   0.00000  -0.00233  -0.20776
   D60        2.79960  -0.00689  -0.00829   0.00000  -0.00826   2.79134
   D61        3.07310  -0.00225  -0.00260   0.00000  -0.00248   3.07061
   D62       -0.04293  -0.00188  -0.00228   0.00000  -0.00224  -0.04518
   D63       -0.15666   0.00121   0.00124   0.00000   0.00125  -0.15541
   D64        3.03826   0.00065   0.00066   0.00000   0.00063   3.03888
   D65        3.06164   0.00096   0.00111   0.00000   0.00114   3.06278
   D66       -0.02663   0.00041   0.00052   0.00000   0.00053  -0.02611
   D67        0.16312   0.00052   0.00046   0.00000   0.00041   0.16353
   D68       -2.98728   0.00281   0.00348   0.00000   0.00342  -2.98386
   D69       -3.02311  -0.00114  -0.00141   0.00000  -0.00143  -3.02453
   D70        0.10967   0.00115   0.00160   0.00000   0.00159   0.11126
   D71       -2.54436   0.00369   0.00579   0.00000   0.00579  -2.53857
   D72        0.57480   0.00280   0.00418   0.00000   0.00418   0.57898
   D73        0.65253   0.00354   0.00573   0.00000   0.00573   0.65826
   D74       -2.51149   0.00265   0.00412   0.00000   0.00412  -2.50737
   D75       -0.00338   0.00041   0.00027   0.00000   0.00027  -0.00311
   D76       -3.02640   0.00305   0.00305   0.00000   0.00296  -3.02344
   D77       -3.13645  -0.00180  -0.00265   0.00000  -0.00264  -3.13910
   D78        0.12371   0.00084   0.00013   0.00000   0.00005   0.12376
   D79        0.12725  -0.00054  -0.00026   0.00000  -0.00027   0.12698
   D80       -2.78609  -0.00633  -0.00801   0.00000  -0.00799  -2.79409
   D81       -2.87909   0.00333   0.00494   0.00000   0.00497  -2.87412
   D82        0.49075  -0.00246  -0.00281   0.00000  -0.00275   0.48800
   D83       -0.39344  -0.00145  -0.00296   0.00000  -0.00283  -0.39627
   D84       -2.55888  -0.00587  -0.00660   0.00000  -0.00620  -2.56508
   D85        1.62573   0.01315   0.01675   0.00000   0.01623   1.64196
   D86        2.61495  -0.00429  -0.00721   0.00000  -0.00708   2.60787
   D87        0.44951  -0.00871  -0.01085   0.00000  -0.01045   0.43906
   D88       -1.64906   0.01031   0.01251   0.00000   0.01197  -1.63709
   D89        0.00816   0.00102   0.00102   0.00000   0.00096   0.00911
   D90       -3.11366  -0.00024  -0.00068   0.00000  -0.00070  -3.11436
   D91        2.95006   0.00307   0.00422   0.00000   0.00430   2.95436
   D92       -0.17176   0.00181   0.00252   0.00000   0.00264  -0.16912
   D93       -3.02065  -0.00453  -0.00512   0.00000  -0.00508  -3.02573
   D94       -0.23528   0.00406   0.00565   0.00000   0.00567  -0.22961
   D95        0.34429  -0.00992  -0.01217   0.00000  -0.01211   0.33218
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   D317      -0.76404  -0.00183  -0.00187   0.00000  -0.00189  -0.76594
   D318       1.36732  -0.00422  -0.00469   0.00000  -0.00473   1.36258
   D319      -2.91240   0.00034   0.00059   0.00000   0.00059  -2.91181
   D320      -0.82217   0.00919   0.01489   0.00000   0.01495  -0.80722
   D321       1.23926   0.00299   0.00702   0.00000   0.00699   1.24625
   D322      -2.93044   0.01069   0.01692   0.00000   0.01688  -2.91356
   D323      -2.70665   0.00109   0.00138   0.00000   0.00141  -2.70524
   D324      -0.64594   0.00269   0.00345   0.00000   0.00347  -0.64247
   D325       1.37026   0.00628   0.00770   0.00000   0.00771   1.37797
   D326       1.64061  -0.01028  -0.01280   0.00000  -0.01279   1.62781
   D327      -2.58187  -0.00868  -0.01073   0.00000  -0.01073  -2.59260
   D328      -0.56567  -0.00509  -0.00649   0.00000  -0.00649  -0.57216
   D329      -0.60356   0.00006   0.00012   0.00000   0.00011  -0.60345
   D330       1.45715   0.00166   0.00219   0.00000   0.00217   1.45932
   D331      -2.80983   0.00524   0.00644   0.00000   0.00641  -2.80343
         Item               Value     Threshold  Converged?
 Maximum Force            0.132888     0.000450     NO 
 RMS     Force            0.026426     0.000300     NO 
 Maximum Displacement     0.584299     0.001800     NO 
 RMS     Displacement     0.129874     0.001200     NO 
 Predicted change in Energy=-2.932022D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.531696    3.361311    0.157019
      2          6           0       -2.666312    1.996075    0.040236
      3          6           0       -1.679090    1.044687    0.029962
      4          6           0       -0.353364    1.498893   -0.064580
      5          6           0       -0.186679    2.847448    0.150857
      6          6           0       -1.211704    3.742981    0.294524
      7          6           0       -1.904496   -0.333344   -0.053814
      8          6           0       -0.797606   -1.192926   -0.224458
      9          6           0        0.543681   -0.820786   -0.178248
     10          6           0        0.718506    0.602541   -0.186161
     11          6           0       -3.151175   -0.906992   -0.077614
     12          6           0       -3.452905   -2.236544   -0.269103
     13          6           0       -2.351202   -2.983135   -0.643807
     14          6           0       -1.049399   -2.509454   -0.632655
     15          7           0        1.685903   -1.548820   -0.065281
     16          6           0        2.912149   -0.980546   -0.205539
     17          6           0        2.966955    0.389271   -0.314793
     18          7           0        1.895788    1.137041   -0.277456
     19          6           0        4.091521   -1.642625   -0.493335
     20          6           0        5.330098   -1.045508   -0.497501
     21          6           0        5.413404    0.344475   -0.489452
     22          6           0        4.195552    0.998126   -0.491476
     23          7           0       -3.579756    4.218650    0.084644
     24          7           0       -4.649408   -2.856164   -0.193814
     25          7           0        6.651736    0.929025   -0.525669
     26          6           0       -4.864011   -4.143576    0.263390
     27          6           0       -6.247391   -4.405604    0.234299
     28          6           0       -6.859484   -3.243945   -0.262378
     29          6           0       -5.850102   -2.346201   -0.517452
     30          6           0       -3.690860    5.452408    0.658754
     31          6           0       -4.867599    6.072065    0.376839
     32          6           0       -5.549124    5.206104   -0.496276
     33          6           0       -4.720206    4.087544   -0.648064
     34          6           0        6.910645    2.174436   -0.072261
     35          6           0        8.234499    2.497150   -0.288011
     36          6           0        8.790649    1.391956   -0.913818
     37          6           0        7.803075    0.413264   -1.029156
     38          6           0       -8.170535   -2.985624   -0.629382
     39          6           0       -8.437360   -1.785359   -1.178697
     40          6           0       -7.486204   -0.783197   -1.399682
     41          6           0       -6.202643   -1.150708   -1.110750
     42          6           0       -4.100001   -5.129655    0.826052
     43          6           0       -4.633887   -6.323753    1.237072
     44          6           0       -6.004074   -6.513366    1.218015
     45          6           0       -6.816349   -5.560563    0.660204
     46          6           0       -6.729628    5.320586   -1.188033
     47          6           0       -7.061637    4.390837   -2.171565
     48          6           0       -6.193953    3.329899   -2.358885
     49          6           0       -5.078447    3.149456   -1.595248
     50          6           0       -2.882435    6.091749    1.576214
     51          6           0       -3.161961    7.379667    1.946556
     52          6           0       -4.300402    8.042033    1.539871
     53          6           0       -5.209510    7.345783    0.788184
     54          6           0       10.072617    1.096314   -1.322071
     55          6           0       10.433959   -0.100979   -1.840834
     56          6           0        9.446337   -1.027362   -2.075516
     57          6           0        8.152561   -0.769312   -1.688882
     58          6           0        6.178694    3.024089    0.738039
     59          6           0        6.785063    4.144931    1.298211
     60          6           0        8.083845    4.416065    0.935876
     61          6           0        8.822933    3.706396    0.026393
     62          8           0        0.394352   -3.591607    1.276529
     63         15           0        1.601486   -3.232934    0.486246
     64          8           0        2.962600   -3.605022    1.360753
     65          8           0        1.516745   -4.498055   -0.662382
     66          6           0        2.779342   -4.092933    2.674293
     67          6           0        3.986047   -3.761261    3.498622
     68          6           0        2.692524   -4.963754   -1.358381
     69          6           0        2.183181   -5.944379   -2.392175
     70          1           0       -3.720093    1.676753    0.207557
     71          1           0        0.808374    3.330401    0.179801
     72          1           0       -0.841065    4.801289    0.375630
     73          1           0       -3.979538   -0.265536    0.140714
     74          1           0       -2.487469   -4.046327   -0.978305
     75          1           0       -0.426191   -3.272059   -1.088111
     76          1           0        4.134989   -2.735646   -0.417613
     77          1           0        6.109376   -1.753263   -0.414922
     78          1           0        4.292073    2.046307   -0.610838
     79          1           0       -8.976530   -3.688637   -0.439699
     80          1           0       -9.497911   -1.539765   -1.416028
     81          1           0       -7.759351    0.235039   -1.780979
     82          1           0       -5.527771   -0.290720   -1.177474
     83          1           0       -2.984267   -4.931956    1.007312
     84          1           0       -3.892480   -7.057639    1.575674
     85          1           0       -6.378993   -7.475029    1.579149
     86          1           0       -7.877727   -5.787800    0.569786
     87          1           0       -7.422036    6.213346   -1.081223
     88          1           0       -8.009590    4.538714   -2.713111
     89          1           0       -6.473201    2.537279   -3.093516
     90          1           0       -4.388404    2.322375   -1.858579
     91          1           0       -1.978678    5.681656    2.097892
     92          1           0       -2.561851    7.985875    2.627659
     93          1           0       -4.464981    9.078581    1.781424
     94          1           0       -6.176994    7.757286    0.509354
     95          1           0       10.878478    1.865442   -1.380738
     96          1           0       11.438881   -0.357954   -2.214172
     97          1           0        9.638172   -1.954399   -2.650096
     98          1           0        7.404642   -1.531258   -1.979826
     99          1           0        5.183038    2.817659    1.115545
    100          1           0        6.240282    4.816335    1.944235
    101          1           0        8.551662    5.298069    1.356295
    102          1           0        9.863062    3.990606   -0.191037
    103          1           0        1.885567   -3.543729    3.092403
    104          1           0        2.575737   -5.197573    2.682223
    105          1           0        3.985917   -4.298779    4.443030
    106          1           0        4.929191   -4.016295    2.896701
    107          1           0        4.016547   -2.660820    3.664227
    108          1           0        3.078052   -4.078322   -1.885483
    109          1           0        3.413532   -5.318224   -0.593618
    110          1           0        2.934655   -6.704899   -2.708125
    111          1           0        1.354829   -6.506830   -1.982226
    112          1           0        1.755439   -5.430003   -3.294895
    113         17           0        1.639086   -0.523946    2.764563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0364520           0.0188789           0.0134122
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10739.2540859876 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.39D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999990    0.003614    0.000490   -0.002567 Ang=   0.51 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.22601116     A.U. after   18 cycles
            NFock= 18  Conv=0.21D-08     -V/T= 2.0070
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.038257593   -0.014876220   -0.004024993
      2        6          -0.072925258   -0.022693133    0.025022432
      3        6           0.013611937    0.032382750   -0.009298628
      4        6          -0.033293632    0.001571295    0.014910588
      5        6           0.033337475    0.034469038   -0.003328565
      6        6           0.021449464    0.055067229   -0.006270322
      7        6           0.010799510   -0.035522428   -0.006339017
      8        6           0.017800234   -0.048771454   -0.015273850
      9        6          -0.001992365    0.047927738    0.018837963
     10        6           0.034025165   -0.006871200    0.002133777
     11        6          -0.044858038    0.018125814    0.014840023
     12        6           0.048584707    0.005993574   -0.007890562
     13        6           0.025833303   -0.046475626   -0.014026206
     14        6          -0.043411638   -0.031930951   -0.006284435
     15        7          -0.009443303   -0.050798232   -0.018293728
     16        6           0.015025614   -0.004172998   -0.019754195
     17        6           0.019648268    0.011349732   -0.002367626
     18        7          -0.016140967    0.041633245   -0.006511935
     19        6           0.011826730   -0.044112660    0.024853424
     20        6          -0.023760182   -0.013863469    0.002803079
     21        6          -0.011208853   -0.030985091   -0.002286554
     22        6           0.035291689    0.027303849   -0.003456306
     23        7          -0.012958660    0.007706024    0.005276569
     24        7           0.011236934   -0.006344962    0.011296799
     25        7          -0.029614060   -0.012922514   -0.001626283
     26        6          -0.019890693   -0.028944887    0.016490880
     27        6          -0.000198857    0.015237123   -0.008528058
     28        6          -0.017511661   -0.016266831   -0.009551365
     29        6          -0.044626843    0.031861182   -0.019071240
     30        6           0.040088716    0.025267579    0.045855945
     31        6          -0.035060702    0.012163988   -0.015630782
     32        6          -0.007322112   -0.009788942    0.000620784
     33        6          -0.028971049   -0.022916224   -0.031216167
     34        6          -0.011373570    0.045552257    0.033971884
     35        6           0.019553616    0.019286321   -0.028011602
     36        6           0.025833392   -0.025793525   -0.011735899
     37        6           0.034415867   -0.020284992   -0.023735252
     38        6           0.000988173   -0.017601846    0.013661436
     39        6          -0.065086744    0.035933882   -0.021737275
     40        6          -0.016740814   -0.009917603   -0.004295303
     41        6           0.027738463    0.066146187   -0.001275167
     42        6           0.079376196    0.030777049    0.003117231
     43        6           0.016892208   -0.004293524    0.010043568
     44        6           0.009290234   -0.036282643    0.004154785
     45        6          -0.016588803   -0.031219697    0.012933119
     46        6          -0.041950835    0.022803061   -0.018555729
     47        6          -0.015922653    0.014303662    0.011057998
     48        6          -0.027265841   -0.034844005   -0.028611554
     49        6           0.042202728   -0.026244243   -0.008786554
     50        6           0.056729679    0.000021683    0.030327593
     51        6           0.002114396    0.029100597    0.017613677
     52        6          -0.015044259    0.006462545   -0.007535835
     53        6          -0.013915896    0.006990503   -0.002452742
     54        6           0.041632272    0.050096225   -0.006958993
     55        6           0.025350512   -0.022740539   -0.022000740
     56        6          -0.005734427   -0.027226074   -0.011161591
     57        6          -0.034973633   -0.032278373   -0.004908561
     58        6          -0.029081537    0.006334196    0.026672853
     59        6          -0.005782574   -0.016124685   -0.012899330
     60        6           0.016235443    0.054157257    0.005126401
     61        6           0.005516197   -0.003455410    0.022390978
     62        8          -0.003073487    0.023809647   -0.005275153
     63       15          -0.010198877   -0.085297449    0.059737074
     64        8          -0.006918138    0.020672691   -0.060427859
     65        8           0.008841556    0.046175210    0.007544785
     66        6          -0.037722429   -0.008037198    0.041080697
     67        6           0.032057509    0.020151025   -0.025389832
     68        6          -0.003118012    0.016804158   -0.005884126
     69        6           0.002808286   -0.012719143   -0.018410236
     70        1           0.015899420   -0.000024642   -0.010534574
     71        1          -0.006179592   -0.018138908   -0.000157854
     72        1          -0.016424036   -0.021837145    0.001558745
     73        1          -0.006817705    0.006625965    0.002076431
     74        1          -0.002302814    0.023029134    0.005107982
     75        1           0.015153921    0.017331938    0.004993854
     76        1          -0.005227257    0.006881009   -0.003673065
     77        1           0.023241119    0.001109323   -0.003968786
     78        1          -0.016620446    0.016516231   -0.001147059
     79        1           0.003026004   -0.001555702   -0.000535964
     80        1           0.014246325   -0.003126665    0.001958709
     81        1           0.010223703   -0.021057087    0.007947438
     82        1           0.009962157   -0.012031291   -0.004789633
     83        1          -0.030442391   -0.013727260   -0.006992213
     84        1          -0.012938863   -0.001364916    0.003805817
     85        1          -0.004639059    0.004883319   -0.002929822
     86        1          -0.000572670    0.008557739    0.000695725
     87        1           0.023030380   -0.017149005    0.002929456
     88        1           0.012463139   -0.005489268    0.001026798
     89        1           0.006320989    0.014821096    0.008042303
     90        1          -0.011889325    0.007685439    0.006549065
     91        1          -0.017509942   -0.005008161   -0.018243909
     92        1           0.011235817   -0.012293005   -0.000856550
     93        1          -0.002069088    0.004460898    0.005634102
     94        1           0.002164541    0.001257829   -0.001377666
     95        1          -0.014839277   -0.006557796    0.012524811
     96        1          -0.007349541    0.010846303    0.007560488
     97        1          -0.000882394    0.010471606    0.009969964
     98        1           0.005256025    0.012905552    0.006116442
     99        1          -0.001521592   -0.005554166   -0.007294864
    100        1          -0.001539920   -0.001355741    0.004169918
    101        1          -0.000909770    0.005813523    0.001549252
    102        1          -0.009497974   -0.008534620   -0.000522618
    103        1           0.017113391   -0.014320904   -0.003585934
    104        1          -0.000505581    0.015466619   -0.007272111
    105        1           0.000343470   -0.001123020    0.002932903
    106        1          -0.019954087    0.000250494    0.019473901
    107        1           0.001156972   -0.012389570    0.002397564
    108        1           0.012586022   -0.005168544    0.001584574
    109        1          -0.004228823   -0.004070001   -0.012404253
    110        1          -0.006631421    0.012793839    0.001249655
    111        1          -0.004252582   -0.005848715    0.007275641
    112        1           0.012719090   -0.003938797    0.013658499
    113       17          -0.001109004   -0.001062470    0.002200643
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.085297449 RMS     0.021876256

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.059480717 RMS     0.013429930
 Search for a local minimum.
 Step number   3 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 ITU=  0  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.720 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  1.20017.
 Iteration  1 RMS(Cart)=  0.15416414 RMS(Int)=  0.00091910
 Iteration  2 RMS(Cart)=  0.00277123 RMS(Int)=  0.00026334
 Iteration  3 RMS(Cart)=  0.00000242 RMS(Int)=  0.00026334
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00026334
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60181   0.02558   0.06070   0.00000   0.06075   2.66256
    R2        2.60957   0.02938   0.07173   0.00000   0.07177   2.68134
    R3        2.56244   0.03853   0.07720   0.00000   0.07720   2.63965
    R4        2.59096   0.02592   0.05869   0.00000   0.05871   2.64967
    R5        2.10466  -0.01626  -0.02296   0.00000  -0.02296   2.08170
    R6        2.65423   0.02132   0.06965   0.00000   0.06963   2.72387
    R7        2.64345   0.05058   0.10801   0.00000   0.10797   2.75142
    R8        2.59987   0.02680   0.06506   0.00000   0.06501   2.66487
    R9        2.65043   0.04317   0.11087   0.00000   0.11092   2.76135
   R10        2.58644   0.02083   0.04960   0.00000   0.04957   2.63601
   R11        2.09087  -0.01504  -0.02543   0.00000  -0.02543   2.06544
   R12        2.12455  -0.02478  -0.03878   0.00000  -0.03878   2.08577
   R13        2.66793   0.02152   0.05425   0.00000   0.05422   2.72215
   R14        2.59371   0.02303   0.05237   0.00000   0.05245   2.64616
   R15        2.63186   0.04167   0.08386   0.00000   0.08383   2.71570
   R16        2.64782   0.02044   0.05190   0.00000   0.05184   2.69966
   R17        2.70995   0.02875   0.07368   0.00000   0.07349   2.78344
   R18        2.56854   0.01914   0.04168   0.00000   0.04133   2.60987
   R19        2.44938   0.03164   0.09488   0.00000   0.09500   2.54438
   R20        2.60166   0.02198   0.05886   0.00000   0.05891   2.66058
   R21        2.02238   0.00950   0.01853   0.00000   0.01853   2.04091
   R22        2.61271   0.02944   0.07713   0.00000   0.07711   2.68982
   R23        2.55023   0.04444   0.10254   0.00000   0.10254   2.65278
   R24        2.61793   0.00030   0.00833   0.00000   0.00825   2.62618
   R25        2.12191  -0.02353  -0.03849   0.00000  -0.03849   2.08343
   R26        2.05050  -0.00341  -0.00537   0.00000  -0.00537   2.04513
   R27        2.56772   0.03799   0.06874   0.00000   0.06861   2.63634
   R28        3.35263   0.00422   0.00232   0.00000   0.00232   3.35495
   R29        2.59886   0.04665   0.10412   0.00000   0.10443   2.70330
   R30        2.61309   0.01791   0.03629   0.00000   0.03620   2.64928
   R31        2.46966   0.04473   0.10125   0.00000   0.10162   2.57128
   R32        2.61259   0.02419   0.06750   0.00000   0.06762   2.68022
   R33        2.59838   0.01678   0.04194   0.00000   0.04182   2.64021
   R34        2.07209  -0.00797  -0.00760   0.00000  -0.00760   2.06449
   R35        2.63144   0.03012   0.08296   0.00000   0.08292   2.71436
   R36        1.99544   0.01803   0.03170   0.00000   0.03170   2.02714
   R37        2.61195   0.01122   0.03599   0.00000   0.03607   2.64801
   R38        2.58863   0.03489   0.08844   0.00000   0.08844   2.67708
   R39        2.00190   0.01706   0.03132   0.00000   0.03132   2.03323
   R40        2.58009   0.03934   0.08972   0.00000   0.09014   2.67023
   R41        2.57355   0.04756   0.10812   0.00000   0.10793   2.68149
   R42        2.61337   0.02834   0.07190   0.00000   0.07162   2.68499
   R43        2.53989   0.05948   0.12428   0.00000   0.12457   2.66446
   R44        2.55194   0.05779   0.12686   0.00000   0.12701   2.67896
   R45        2.56689   0.04861   0.10803   0.00000   0.10798   2.67487
   R46        2.66126   0.01793   0.05333   0.00000   0.05299   2.71425
   R47        2.58599   0.02945   0.07121   0.00000   0.07125   2.65724
   R48        2.65289   0.04417   0.10057   0.00000   0.10056   2.75346
   R49        2.56268   0.03957   0.08809   0.00000   0.08817   2.65085
   R50        2.59785   0.03559   0.07964   0.00000   0.08013   2.67797
   R51        2.61867   0.02027   0.05782   0.00000   0.05774   2.67641
   R52        2.60857   0.02163   0.06032   0.00000   0.06042   2.66899
   R53        2.56903   0.04871   0.10674   0.00000   0.10738   2.67640
   R54        2.60758   0.02388   0.06790   0.00000   0.06790   2.67547
   R55        2.65686   0.04615   0.11426   0.00000   0.11411   2.77097
   R56        2.61061   0.01915   0.04755   0.00000   0.04772   2.65833
   R57        2.64651   0.02039   0.05213   0.00000   0.05157   2.69808
   R58        2.59466   0.02167   0.04936   0.00000   0.04928   2.64394
   R59        2.60858   0.02137   0.05570   0.00000   0.05575   2.66433
   R60        2.60706   0.03558   0.08720   0.00000   0.08747   2.69453
   R61        2.61456   0.02066   0.05945   0.00000   0.05934   2.67390
   R62        2.62011   0.05468   0.11920   0.00000   0.11914   2.73925
   R63        2.60986   0.02295   0.06083   0.00000   0.06107   2.67093
   R64        2.63645   0.03127   0.08225   0.00000   0.08207   2.71852
   R65        2.60311   0.01985   0.04849   0.00000   0.04867   2.65177
   R66        2.64283   0.00608   0.02753   0.00000   0.02736   2.67018
   R67        2.54488   0.04052   0.08236   0.00000   0.08227   2.62715
   R68        2.05262  -0.00096  -0.00134   0.00000  -0.00134   2.05128
   R69        2.64417   0.01377   0.04063   0.00000   0.04061   2.68479
   R70        2.10551  -0.01459  -0.01905   0.00000  -0.01905   2.08645
   R71        2.58145   0.02871   0.06339   0.00000   0.06347   2.64492
   R72        2.11852  -0.02467  -0.04132   0.00000  -0.04132   2.07720
   R73        2.06965  -0.00464  -0.00405   0.00000  -0.00405   2.06560
   R74        2.59095   0.02583   0.05847   0.00000   0.05838   2.64933
   R75        2.16850  -0.03376  -0.04944   0.00000  -0.04944   2.11906
   R76        2.61420   0.01921   0.04294   0.00000   0.04280   2.65700
   R77        2.07261  -0.00788  -0.01287   0.00000  -0.01287   2.05974
   R78        2.59022   0.02556   0.06110   0.00000   0.06106   2.65128
   R79        2.06644  -0.00444  -0.00588   0.00000  -0.00588   2.06057
   R80        2.05827  -0.00230  -0.00315   0.00000  -0.00315   2.05512
   R81        2.63344   0.00614   0.02027   0.00000   0.02023   2.65367
   R82        2.14453  -0.02802  -0.04376   0.00000  -0.04376   2.10077
   R83        2.61408   0.01866   0.03932   0.00000   0.03934   2.65343
   R84        2.08192  -0.01154  -0.01959   0.00000  -0.01959   2.06233
   R85        2.57728   0.02769   0.05719   0.00000   0.05726   2.63454
   R86        2.10932  -0.01740  -0.02630   0.00000  -0.02630   2.08302
   R87        2.09544  -0.01504  -0.02360   0.00000  -0.02360   2.07184
   R88        2.58694   0.02113   0.04405   0.00000   0.04388   2.63082
   R89        2.11877  -0.02201  -0.03353   0.00000  -0.03353   2.08524
   R90        2.60492   0.03445   0.08274   0.00000   0.08257   2.68749
   R91        2.06276  -0.00283  -0.00183   0.00000  -0.00183   2.06094
   R92        2.58849   0.02477   0.06190   0.00000   0.06189   2.65038
   R93        2.03518   0.00587   0.01146   0.00000   0.01146   2.04664
   R94        2.05547  -0.00137  -0.00186   0.00000  -0.00186   2.05361
   R95        2.55860   0.03367   0.06835   0.00000   0.06852   2.62713
   R96        2.10805  -0.01560  -0.02172   0.00000  -0.02172   2.08633
   R97        2.59702   0.03506   0.08240   0.00000   0.08240   2.67942
   R98        2.08323  -0.01093  -0.01650   0.00000  -0.01650   2.06673
   R99        2.59790   0.01801   0.03872   0.00000   0.03855   2.63644
   R100       2.09269  -0.01385  -0.02201   0.00000  -0.02201   2.07067
   R101       2.09120  -0.01446  -0.02321   0.00000  -0.02321   2.06799
   R102       2.63057   0.00857   0.02822   0.00000   0.02798   2.65855
   R103       2.04968   0.00017   0.00021   0.00000   0.00021   2.04989
   R104       2.59907   0.02726   0.05816   0.00000   0.05804   2.65711
   R105       2.03961   0.00256   0.00380   0.00000   0.00380   2.04341
   R106       2.58902   0.02443   0.05637   0.00000   0.05648   2.64550
   R107       2.04714   0.00531   0.01442   0.00000   0.01442   2.06156
   R108       2.07863  -0.01155  -0.02102   0.00000  -0.02102   2.05761
   R109       2.80951  -0.00823  -0.00350   0.00000  -0.00350   2.80601
   R110       3.13708  -0.02989  -0.04100   0.00000  -0.04100   3.09609
   R111       3.23307  -0.02964  -0.02884   0.00000  -0.02884   3.20423
   R112       2.67049   0.03093   0.02469   0.00000   0.02469   2.69518
   R113       2.72785   0.01517   0.02605   0.00000   0.02605   2.75391
   R114       2.83185   0.01270   0.02290   0.00000   0.02290   2.85475
   R115       2.13403  -0.02004  -0.03867   0.00000  -0.03867   2.09536
   R116       2.12268  -0.01571  -0.02401   0.00000  -0.02401   2.09868
   R117       2.05349   0.00314   0.00489   0.00000   0.00489   2.05838
   R118       2.16856  -0.02712  -0.04110   0.00000  -0.04110   2.12746
   R119       2.10374  -0.01208  -0.01965   0.00000  -0.01965   2.08408
   R120       2.85954   0.00315   0.00571   0.00000   0.00571   2.86525
   R121       2.07909  -0.00209  -0.00167   0.00000  -0.00167   2.07742
   R122       2.09612  -0.01053  -0.01712   0.00000  -0.01712   2.07900
   R123       2.10679  -0.01303  -0.02107   0.00000  -0.02107   2.08573
   R124       2.04455   0.00944   0.01693   0.00000   0.01693   2.06148
   R125       2.12327  -0.01828  -0.02929   0.00000  -0.02929   2.09398
   R126       5.75896  -0.00110  -0.00235   0.00000  -0.00235   5.75661
    A1        1.95624   0.02120   0.03081   0.00000   0.03088   1.98711
    A2        2.14939  -0.01297  -0.02062   0.00000  -0.02066   2.12873
    A3        2.17654  -0.00819  -0.01011   0.00000  -0.01014   2.16640
    A4        2.23737  -0.02113  -0.03026   0.00000  -0.03021   2.20716
    A5        1.94343   0.01794   0.02779   0.00000   0.02777   1.97119
    A6        2.07539   0.00369   0.00325   0.00000   0.00327   2.07866
    A7        2.04399   0.00449   0.00612   0.00000   0.00615   2.05014
    A8        2.17486  -0.00978  -0.01744   0.00000  -0.01737   2.15749
    A9        2.05627   0.00557   0.01198   0.00000   0.01187   2.06814
   A10        2.00512   0.01292   0.01671   0.00000   0.01662   2.02174
   A11        2.11824  -0.00122  -0.00530   0.00000  -0.00528   2.11296
   A12        2.15008  -0.01142  -0.01093   0.00000  -0.01087   2.13921
   A13        2.17372  -0.00923  -0.01345   0.00000  -0.01356   2.16016
   A14        2.14231  -0.00777  -0.01197   0.00000  -0.01192   2.13039
   A15        1.96619   0.01704   0.02548   0.00000   0.02553   1.99173
   A16        2.12301  -0.00698  -0.00788   0.00000  -0.00790   2.11511
   A17        2.19257  -0.00832  -0.01380   0.00000  -0.01381   2.17877
   A18        1.95691   0.01574   0.02237   0.00000   0.02239   1.97930
   A19        2.07224   0.00542   0.00824   0.00000   0.00804   2.08029
   A20        2.16413  -0.01164  -0.01524   0.00000  -0.01518   2.14895
   A21        2.04381   0.00638   0.00730   0.00000   0.00743   2.05124
   A22        2.19984  -0.02138  -0.03375   0.00000  -0.03386   2.16598
   A23        2.05601  -0.00304  -0.00432   0.00000  -0.00429   2.05172
   A24        2.01950   0.02444   0.03812   0.00000   0.03822   2.05771
   A25        1.96322   0.02438   0.05068   0.00000   0.05097   2.01419
   A26        2.30360  -0.02814  -0.05798   0.00000  -0.05765   2.24595
   A27        2.01489   0.00391   0.00745   0.00000   0.00684   2.02172
   A28        2.14203  -0.01330  -0.03226   0.00000  -0.03212   2.10990
   A29        2.02273   0.00390   0.03372   0.00000   0.03377   2.05650
   A30        2.11813   0.00942  -0.00145   0.00000  -0.00164   2.11649
   A31        2.22069  -0.01703  -0.02091   0.00000  -0.02081   2.19987
   A32        2.03645   0.00638   0.00520   0.00000   0.00516   2.04161
   A33        2.02370   0.01066   0.01569   0.00000   0.01564   2.03933
   A34        1.96551   0.01535   0.01496   0.00000   0.01500   1.98051
   A35        2.25229  -0.02789  -0.05124   0.00000  -0.05126   2.20103
   A36        2.06425   0.01253   0.03625   0.00000   0.03623   2.10049
   A37        2.16756  -0.01157  -0.01449   0.00000  -0.01461   2.15295
   A38        2.08901   0.00330   0.00655   0.00000   0.00661   2.09562
   A39        2.02660   0.00828   0.00796   0.00000   0.00802   2.03462
   A40        2.08573   0.01008   0.01769   0.00000   0.01754   2.10327
   A41        2.31778  -0.02825  -0.04353   0.00000  -0.04347   2.27431
   A42        1.87132   0.01822   0.02589   0.00000   0.02599   1.89731
   A43        2.12445  -0.00256   0.01167   0.00000   0.01119   2.13563
   A44        2.08783   0.00639  -0.00124   0.00000  -0.00100   2.08683
   A45        2.06239  -0.00419  -0.01117   0.00000  -0.01096   2.05143
   A46        2.04962   0.00337   0.00678   0.00000   0.00687   2.05649
   A47        2.20302  -0.00931  -0.01915   0.00000  -0.01923   2.18379
   A48        2.01129   0.00662   0.01366   0.00000   0.01363   2.02492
   A49        2.13528  -0.00604  -0.02449   0.00000  -0.02399   2.11129
   A50        2.07627   0.00276   0.00301   0.00000   0.00294   2.07920
   A51        2.07150   0.00329   0.02151   0.00000   0.02108   2.09258
   A52        2.10659  -0.00834  -0.00025   0.00000   0.00045   2.10704
   A53        2.16636  -0.01325  -0.02318   0.00000  -0.02335   2.14301
   A54        2.09061   0.00385   0.00404   0.00000   0.00415   2.09476
   A55        1.97946   0.01091   0.02152   0.00000   0.02159   2.00105
   A56        2.07985   0.00847   0.02193   0.00000   0.02183   2.10168
   A57        1.95353   0.01017   0.00904   0.00000   0.00910   1.96264
   A58        2.24522  -0.01855  -0.03091   0.00000  -0.03086   2.21436
   A59        2.00351   0.01065   0.00917   0.00000   0.00925   2.01276
   A60        2.07132   0.01199   0.02949   0.00000   0.02945   2.10077
   A61        2.20766  -0.02259  -0.03855   0.00000  -0.03859   2.16906
   A62        2.18285  -0.01339  -0.02132   0.00000  -0.02107   2.16178
   A63        2.13071  -0.00936  -0.01623   0.00000  -0.01636   2.11435
   A64        1.96905   0.02281   0.03767   0.00000   0.03755   2.00659
   A65        2.22912  -0.00902  -0.02265   0.00000  -0.02277   2.20634
   A66        2.23331  -0.01063  -0.02348   0.00000  -0.02363   2.20968
   A67        1.81840   0.01971   0.04626   0.00000   0.04653   1.86493
   A68        2.19377  -0.00586  -0.01032   0.00000  -0.01035   2.18342
   A69        2.21981   0.00008  -0.00196   0.00000  -0.00199   2.21782
   A70        1.86941   0.00577   0.01225   0.00000   0.01231   1.88171
   A71        2.16275   0.00477   0.01234   0.00000   0.01227   2.17502
   A72        2.23192  -0.00496  -0.01262   0.00000  -0.01269   2.21923
   A73        1.88822   0.00017   0.00027   0.00000   0.00040   1.88862
   A74        1.89528  -0.00020  -0.00421   0.00000  -0.00491   1.89037
   A75        2.37475  -0.01933  -0.02372   0.00000  -0.02344   2.35131
   A76        2.00739   0.01954   0.02791   0.00000   0.02833   2.03572
   A77        1.85631   0.00779   0.01682   0.00000   0.01635   1.87266
   A78        2.17015  -0.01766  -0.03389   0.00000  -0.03356   2.13659
   A79        2.25612   0.00985   0.01704   0.00000   0.01718   2.27330
   A80        1.86072   0.00014  -0.00177   0.00000  -0.00131   1.85942
   A81        2.29223   0.00630   0.01240   0.00000   0.01212   2.30436
   A82        2.12210  -0.00611  -0.01001   0.00000  -0.01022   2.11187
   A83        1.94279  -0.01347  -0.02300   0.00000  -0.02237   1.92042
   A84        2.29194  -0.00015   0.00539   0.00000   0.00493   2.29687
   A85        2.04631   0.01355   0.01746   0.00000   0.01730   2.06360
   A86        1.97700  -0.02331  -0.05296   0.00000  -0.05229   1.92471
   A87        2.27916   0.00390   0.01652   0.00000   0.01600   2.29516
   A88        2.01951   0.01958   0.03675   0.00000   0.03660   2.05612
   A89        1.84172   0.00786   0.02003   0.00000   0.02014   1.86186
   A90        2.18064  -0.01945  -0.03854   0.00000  -0.03828   2.14236
   A91        2.25599   0.01178   0.01887   0.00000   0.01850   2.27449
   A92        1.84662   0.00632   0.00959   0.00000   0.00910   1.85571
   A93        2.31623   0.00105   0.00567   0.00000   0.00607   2.32231
   A94        2.11868  -0.00737  -0.01526   0.00000  -0.01516   2.10351
   A95        1.93955  -0.01049  -0.02272   0.00000  -0.02328   1.91627
   A96        2.28091   0.00019   0.00985   0.00000   0.01019   2.29110
   A97        2.05279   0.01044   0.01308   0.00000   0.01329   2.06608
   A98        1.92538  -0.00842  -0.01556   0.00000  -0.01528   1.91010
   A99        2.29369  -0.00161   0.00617   0.00000   0.00599   2.29968
   A100       2.04384   0.01042   0.01002   0.00000   0.00990   2.05374
   A101       1.84319   0.00782   0.01482   0.00000   0.01473   1.85792
   A102       2.18715  -0.02096  -0.03758   0.00000  -0.03727   2.14989
   A103       2.25207   0.01323   0.02294   0.00000   0.02269   2.27476
   A104       1.88867  -0.00289  -0.00572   0.00000  -0.00599   1.88267
   A105       2.31603  -0.00214  -0.00403   0.00000  -0.00401   2.31202
   A106       2.07569   0.00508   0.00986   0.00000   0.01010   2.08579
   A107       1.87862   0.00332   0.00623   0.00000   0.00617   1.88479
   A108       2.35709  -0.01535  -0.02169   0.00000  -0.02151   2.33558
   A109       2.04349   0.01207   0.01550   0.00000   0.01538   2.05887
   A110       2.05063   0.00562   0.01188   0.00000   0.01180   2.06242
   A111       2.13547  -0.00573  -0.01073   0.00000  -0.01069   2.12477
   A112       2.09562   0.00018  -0.00101   0.00000  -0.00098   2.09464
   A113       2.17497  -0.01598  -0.02875   0.00000  -0.02876   2.14621
   A114       2.06229   0.00669   0.01295   0.00000   0.01296   2.07525
   A115       2.04376   0.00939   0.01596   0.00000   0.01596   2.05972
   A116       1.99614   0.02607   0.04534   0.00000   0.04552   2.04165
   A117       2.13959  -0.01169  -0.02157   0.00000  -0.02166   2.11793
   A118       2.14746  -0.01438  -0.02377   0.00000  -0.02386   2.12360
   A119       2.16987  -0.02283  -0.03535   0.00000  -0.03506   2.13480
   A120       2.15179   0.00006  -0.00076   0.00000  -0.00086   2.15094
   A121       1.93356   0.02368   0.03772   0.00000   0.03758   1.97114
   A122       2.13345  -0.01269  -0.01533   0.00000  -0.01546   2.11799
   A123       2.07561   0.00891   0.01392   0.00000   0.01399   2.08960
   A124       2.07293   0.00380   0.00143   0.00000   0.00149   2.07443
   A125       2.09546   0.00472   0.00721   0.00000   0.00689   2.10235
   A126       1.99554   0.00823   0.01353   0.00000   0.01368   2.00922
   A127       2.19208  -0.01293  -0.02070   0.00000  -0.02054   2.17154
   A128       2.09126   0.00170   0.00282   0.00000   0.00253   2.09379
   A129       2.04382   0.00530   0.00715   0.00000   0.00728   2.05110
   A130       2.14424  -0.00672  -0.00945   0.00000  -0.00933   2.13492
   A131       2.06145   0.00477   0.01194   0.00000   0.01188   2.07333
   A132       2.16572  -0.00971  -0.01704   0.00000  -0.01702   2.14871
   A133       2.05582   0.00496   0.00513   0.00000   0.00516   2.06098
   A134       2.09993  -0.00011   0.00462   0.00000   0.00440   2.10433
   A135       2.14451  -0.00720  -0.01300   0.00000  -0.01290   2.13161
   A136       2.03300   0.00758   0.00886   0.00000   0.00897   2.04197
   A137       2.04634   0.01093   0.01816   0.00000   0.01803   2.06438
   A138       2.05146   0.00208   0.00214   0.00000   0.00220   2.05366
   A139       2.18474  -0.01295  -0.02019   0.00000  -0.02013   2.16461
   A140       2.13968  -0.00542  -0.00924   0.00000  -0.00924   2.13043
   A141       2.06783   0.00444   0.00656   0.00000   0.00655   2.07438
   A142       2.07052   0.00124   0.00311   0.00000   0.00310   2.07362
   A143       2.10198  -0.00818  -0.01083   0.00000  -0.01081   2.09116
   A144       2.10405   0.00387   0.00620   0.00000   0.00619   2.11024
   A145       2.06543   0.00475   0.00532   0.00000   0.00531   2.07073
   A146       2.08996  -0.00868  -0.01482   0.00000  -0.01492   2.07504
   A147       2.22956  -0.00949  -0.01191   0.00000  -0.01187   2.21769
   A148       1.96365   0.01816   0.02672   0.00000   0.02677   1.99042
   A149       2.14229  -0.00404  -0.00976   0.00000  -0.01001   2.13228
   A150       2.18833  -0.01497  -0.02434   0.00000  -0.02422   2.16411
   A151       1.95118   0.01906   0.03417   0.00000   0.03430   1.98548
   A152       2.05532   0.01048   0.02230   0.00000   0.02221   2.07753
   A153       2.12059  -0.00676  -0.01315   0.00000  -0.01310   2.10749
   A154       2.10700  -0.00372  -0.00915   0.00000  -0.00910   2.09790
   A155       2.05758   0.00303   0.00561   0.00000   0.00589   2.06347
   A156       2.08590  -0.00074  -0.00339   0.00000  -0.00353   2.08237
   A157       2.13970  -0.00229  -0.00222   0.00000  -0.00236   2.13735
   A158       2.15521  -0.01697  -0.02926   0.00000  -0.02893   2.12628
   A159       2.14113  -0.00282  -0.00433   0.00000  -0.00448   2.13664
   A160       1.97877   0.01993   0.03376   0.00000   0.03360   2.01237
   A161       2.05978   0.00488   0.00795   0.00000   0.00809   2.06787
   A162       2.18851  -0.01299  -0.02146   0.00000  -0.02155   2.16695
   A163       2.02655   0.00856   0.01424   0.00000   0.01416   2.04071
   A164       2.09643   0.00552   0.01117   0.00000   0.01096   2.10738
   A165       2.12752  -0.00454  -0.00643   0.00000  -0.00632   2.12120
   A166       2.05566  -0.00083  -0.00450   0.00000  -0.00440   2.05126
   A167       2.12536  -0.01031  -0.01481   0.00000  -0.01519   2.11016
   A168       2.13809   0.00041   0.00162   0.00000   0.00181   2.13989
   A169       2.01847   0.00993   0.01321   0.00000   0.01340   2.03187
   A170       2.09405  -0.00441  -0.00214   0.00000  -0.00251   2.09154
   A171       2.18046  -0.00601  -0.00902   0.00000  -0.00889   2.17157
   A172       1.99659   0.01129   0.01263   0.00000   0.01279   2.00938
   A173       2.05337   0.01502   0.02729   0.00000   0.02695   2.08032
   A174       2.11984  -0.00957  -0.01693   0.00000  -0.01675   2.10309
   A175       2.10795  -0.00539  -0.01026   0.00000  -0.01010   2.09785
   A176       2.19222  -0.01994  -0.03436   0.00000  -0.03433   2.15788
   A177       2.05563   0.00775   0.01258   0.00000   0.01257   2.06820
   A178       2.03354   0.01234   0.02203   0.00000   0.02200   2.05554
   A179       1.95499   0.02186   0.04020   0.00000   0.04062   1.99561
   A180       2.19460  -0.01559  -0.02660   0.00000  -0.02689   2.16770
   A181       2.10307  -0.00448  -0.01043   0.00000  -0.01066   2.09241
   A182       2.01849  -0.00490  -0.02144   0.00000  -0.02036   1.99813
   A183       1.91507  -0.01865  -0.04536   0.00000  -0.04591   1.86916
   A184       2.08931  -0.03685  -0.03803   0.00000  -0.03819   2.05112
   A185       1.90882   0.02159   0.04363   0.00000   0.04149   1.95032
   A186       1.70950   0.03131   0.05171   0.00000   0.05013   1.75963
   A187       1.80137   0.01695   0.03092   0.00000   0.02796   1.82933
   A188       2.04959   0.00904  -0.02561   0.00000  -0.02561   2.02399
   A189       2.11990   0.01049   0.01596   0.00000   0.01596   2.13586
   A190       1.90759  -0.00786  -0.00958   0.00000  -0.00947   1.89812
   A191       1.85341   0.01313  -0.01384   0.00000  -0.01373   1.83968
   A192       1.94938  -0.00579   0.00671   0.00000   0.00669   1.95607
   A193       1.90288   0.00033   0.01778   0.00000   0.01770   1.92058
   A194       1.93878   0.00595   0.00269   0.00000   0.00264   1.94142
   A195       1.90942  -0.00538  -0.00399   0.00000  -0.00412   1.90530
   A196       1.94819  -0.00240  -0.00332   0.00000  -0.00331   1.94488
   A197       1.90085   0.00561   0.01000   0.00000   0.00996   1.91080
   A198       1.89935   0.00296   0.00597   0.00000   0.00593   1.90528
   A199       1.92413  -0.00359  -0.00642   0.00000  -0.00640   1.91773
   A200       1.93872  -0.00211  -0.00390   0.00000  -0.00389   1.93483
   A201       1.84959  -0.00012  -0.00176   0.00000  -0.00187   1.84772
   A202       1.83827   0.00362   0.00602   0.00000   0.00598   1.84426
   A203       1.83049   0.00561   0.01061   0.00000   0.01049   1.84097
   A204       1.87562   0.00312   0.00525   0.00000   0.00528   1.88089
   A205       1.88828   0.00402   0.00547   0.00000   0.00530   1.89359
   A206       2.07456  -0.01278  -0.02070   0.00000  -0.02075   2.05382
   A207       1.93877  -0.00112  -0.00212   0.00000  -0.00227   1.93650
   A208       1.99194  -0.00394  -0.00453   0.00000  -0.00456   1.98738
   A209       1.91319  -0.00118  -0.00132   0.00000  -0.00131   1.91187
   A210       1.96098  -0.00312  -0.00530   0.00000  -0.00533   1.95564
   A211       1.84296   0.00366   0.00496   0.00000   0.00497   1.84793
   A212       1.91900   0.00088   0.00059   0.00000   0.00053   1.91953
   A213       1.82445   0.00490   0.00735   0.00000   0.00735   1.83180
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    D2        2.87180   0.00360   0.00491   0.00000   0.00483   2.87662
    D3        3.07916   0.00057   0.00092   0.00000   0.00090   3.08006
    D4       -0.31629   0.00443   0.00660   0.00000   0.00652  -0.30977
    D5        0.13524  -0.00295  -0.00407   0.00000  -0.00406   0.13118
    D6        3.10766   0.00193   0.00342   0.00000   0.00336   3.11102
    D7       -2.95900  -0.00366  -0.00547   0.00000  -0.00550  -2.96450
    D8        0.01343   0.00122   0.00202   0.00000   0.00192   0.01534
    D9        2.66739  -0.00454  -0.00912   0.00000  -0.00907   2.65832
   D10       -0.55985  -0.00244  -0.00462   0.00000  -0.00463  -0.56449
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   D13       -0.17406   0.00481   0.00822   0.00000   0.00815  -0.16591
   D14        3.10703   0.00195   0.00149   0.00000   0.00144   3.10847
   D15       -3.04516  -0.00070  -0.00032   0.00000  -0.00041  -3.04557
   D16        0.23593  -0.00356  -0.00705   0.00000  -0.00712   0.22881
   D17        0.23186  -0.00351  -0.00591   0.00000  -0.00612   0.22574
   D18       -3.05482  -0.00236  -0.00324   0.00000  -0.00338  -3.05820
   D19       -3.03948  -0.00212  -0.00214   0.00000  -0.00215  -3.04164
   D20       -0.04298  -0.00096   0.00052   0.00000   0.00059  -0.04239
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   D22       -0.05180  -0.00034  -0.00064   0.00000  -0.00072  -0.05252
   D23        0.00271  -0.00057  -0.00220   0.00000  -0.00225   0.00046
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   D25       -0.12934   0.00305   0.00486   0.00000   0.00478  -0.12456
   D26        3.06290   0.00157   0.00258   0.00000   0.00254   3.06544
   D27       -3.12288   0.00087   0.00154   0.00000   0.00142  -3.12146
   D28        0.06937  -0.00061  -0.00074   0.00000  -0.00081   0.06855
   D29       -0.03646   0.00037   0.00098   0.00000   0.00103  -0.03543
   D30        3.13132  -0.00083   0.00073   0.00000   0.00067   3.13199
   D31        2.94776   0.00376   0.00628   0.00000   0.00631   2.95407
   D32       -0.16764   0.00256   0.00603   0.00000   0.00595  -0.16170
   D33       -0.06489   0.00201   0.00333   0.00000   0.00332  -0.06157
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   D35        3.03054   0.00280   0.00455   0.00000   0.00453   3.03507
   D36        0.03721   0.00038   0.00090   0.00000   0.00080   0.03802
   D37        0.12825   0.00064  -0.00024   0.00000  -0.00044   0.12781
   D38       -2.87277  -0.00164  -0.00396   0.00000  -0.00417  -2.87695
   D39       -3.09332   0.00214   0.00301   0.00000   0.00296  -3.09035
   D40        0.18885  -0.00015  -0.00070   0.00000  -0.00077   0.18807
   D41        3.03992   0.00047   0.00273   0.00000   0.00281   3.04273
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   D43       -0.01708  -0.00203  -0.00203   0.00000  -0.00196  -0.01904
   D44        3.04743  -0.00116  -0.00152   0.00000  -0.00150   3.04593
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   D46        2.88490   0.00014   0.00072   0.00000   0.00052   2.88542
   D47        2.80928  -0.00309  -0.00284   0.00000  -0.00306   2.80622
   D48       -0.39468   0.00052   0.00156   0.00000   0.00124  -0.39344
   D49       -0.18111   0.00060   0.00092   0.00000   0.00103  -0.18008
   D50        2.80234   0.00319   0.00457   0.00000   0.00448   2.80683
   D51        3.08655   0.00202   0.00305   0.00000   0.00312   3.08967
   D52       -0.21318   0.00461   0.00670   0.00000   0.00657  -0.20661
   D53        0.14500   0.00356   0.00348   0.00000   0.00362   0.14862
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   D55       -2.94526   0.00198   0.00296   0.00000   0.00265  -2.94261
   D56        0.16874   0.00314   0.00368   0.00000   0.00352   0.17226
   D57        2.99766  -0.00536  -0.00840   0.00000  -0.00819   2.98947
   D58       -0.28643  -0.00873  -0.01552   0.00000  -0.01542  -0.30185
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   D71       -2.53857   0.00201   0.00695   0.00000   0.00695  -2.53163
   D72        0.57898   0.00156   0.00502   0.00000   0.00502   0.58400
   D73        0.65826   0.00186   0.00688   0.00000   0.00688   0.66514
   D74       -2.50737   0.00141   0.00495   0.00000   0.00495  -2.50242
   D75       -0.00311   0.00056   0.00032   0.00000   0.00033  -0.00278
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   D77       -3.13910  -0.00106  -0.00317   0.00000  -0.00316   3.14092
   D78        0.12376   0.00084   0.00006   0.00000  -0.00007   0.12369
   D79        0.12698  -0.00028  -0.00033   0.00000  -0.00035   0.12663
   D80       -2.79409  -0.00503  -0.00959   0.00000  -0.00955  -2.80364
   D81       -2.87412   0.00222   0.00596   0.00000   0.00601  -2.86811
   D82        0.48800  -0.00253  -0.00330   0.00000  -0.00320   0.48480
   D83       -0.39627   0.00298  -0.00339   0.00000  -0.00315  -0.39942
   D84       -2.56508  -0.00694  -0.00744   0.00000  -0.00673  -2.57180
   D85        1.64196   0.01259   0.01947   0.00000   0.01855   1.66050
   D86        2.60787  -0.00018  -0.00850   0.00000  -0.00827   2.59960
   D87        0.43906  -0.01010  -0.01254   0.00000  -0.01185   0.42721
   D88       -1.63709   0.00943   0.01437   0.00000   0.01342  -1.62367
   D89        0.00911   0.00062   0.00115   0.00000   0.00106   0.01017
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   D91        2.95436   0.00286   0.00516   0.00000   0.00531   2.95967
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   D93       -3.02573  -0.00395  -0.00610   0.00000  -0.00602  -3.03176
   D94       -0.22961   0.00371   0.00681   0.00000   0.00684  -0.22277
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   D96        3.12830  -0.00065  -0.00163   0.00000  -0.00157   3.12673
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   D101       3.08689   0.00154   0.00186   0.00000   0.00187   3.08876
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   D110       0.13825  -0.00252  -0.00357   0.00000  -0.00358   0.13466
   D111       0.16487  -0.00401  -0.00748   0.00000  -0.00743   0.15744
   D112      -3.01262  -0.00198  -0.00397   0.00000  -0.00381  -3.01644
   D113      -3.01774  -0.00219  -0.00331   0.00000  -0.00338  -3.02112
   D114       0.08795  -0.00016   0.00020   0.00000   0.00024   0.08819
   D115      -2.72643   0.00592   0.01280   0.00000   0.01275  -2.71368
   D116       0.44481   0.00641   0.01340   0.00000   0.01337   0.45818
   D117       0.45761   0.00411   0.00902   0.00000   0.00904   0.46665
   D118      -2.65434   0.00460   0.00961   0.00000   0.00966  -2.64468
   D119       3.12451  -0.00106  -0.00242   0.00000  -0.00226   3.12225
   D120      -0.15637   0.00167   0.00235   0.00000   0.00240  -0.15397
   D121       0.05255  -0.00184  -0.00396   0.00000  -0.00379   0.04876
   D122       3.05485   0.00089   0.00081   0.00000   0.00088   3.05572
   D123      -3.10541  -0.00037  -0.00072   0.00000  -0.00062  -3.10603
   D124      -0.12160   0.00149   0.00152   0.00000   0.00156  -0.12005
   D125      -0.03368   0.00051   0.00088   0.00000   0.00097  -0.03271
   D126       2.95013   0.00236   0.00312   0.00000   0.00314   2.95328
   D127       3.10315   0.00032   0.00029   0.00000   0.00031   3.10346
   D128       0.08767  -0.00166  -0.00189   0.00000  -0.00192   0.08575
   D129      -0.01841   0.00074   0.00200   0.00000   0.00204  -0.01638
   D130      -3.03388  -0.00125  -0.00018   0.00000  -0.00020  -3.03408
   D131      -3.09820  -0.00092  -0.00133   0.00000  -0.00131  -3.09951
   D132       0.11724  -0.00025   0.00068   0.00000   0.00065   0.11790
   D133       0.02297  -0.00143  -0.00318   0.00000  -0.00320   0.01977
   D134      -3.04477  -0.00075  -0.00117   0.00000  -0.00123  -3.04601
   D135      -3.10447  -0.00003   0.00041   0.00000   0.00042  -3.10404
   D136       0.26360  -0.00337  -0.00370   0.00000  -0.00365   0.25995
   D137       0.01249  -0.00054  -0.00033   0.00000  -0.00034   0.01215
   D138      -2.90262  -0.00388  -0.00443   0.00000  -0.00442  -2.90704
   D139       3.08575   0.00002   0.00019   0.00000   0.00023   3.08597
   D140       0.04686  -0.00149  -0.00175   0.00000  -0.00170   0.04516
   D141      -0.02995   0.00037   0.00050   0.00000   0.00055  -0.02940
   D142      -3.06884  -0.00113  -0.00143   0.00000  -0.00138  -3.07022
   D143       0.00740   0.00010  -0.00028   0.00000  -0.00029   0.00712
   D144      -3.09981   0.00034   0.00015   0.00000   0.00009  -3.09972
   D145       3.05253  -0.00121  -0.00226   0.00000  -0.00221   3.05032
   D146      -0.05468  -0.00097  -0.00183   0.00000  -0.00183  -0.05651
   D147       3.09167   0.00066   0.00050   0.00000   0.00047   3.09213
   D148       0.00332   0.00007  -0.00010   0.00000  -0.00013   0.00318
   D149       0.08202  -0.00020   0.00010   0.00000   0.00014   0.08216
   D150      -3.00633  -0.00079  -0.00050   0.00000  -0.00046  -3.00679
   D151       0.00618  -0.00079  -0.00134   0.00000  -0.00142   0.00476
   D152       3.00906   0.00139   0.00267   0.00000   0.00262   3.01168
   D153       3.11110  -0.00179  -0.00314   0.00000  -0.00320   3.10790
   D154      -0.16920   0.00039   0.00088   0.00000   0.00084  -0.16836
   D155       0.05930  -0.00113  -0.00166   0.00000  -0.00164   0.05767
   D156      -3.06100  -0.00204  -0.00324   0.00000  -0.00320  -3.06419
   D157      -3.03967  -0.00058  -0.00076   0.00000  -0.00076  -3.04043
   D158       0.12321  -0.00149  -0.00233   0.00000  -0.00232   0.12089
   D159      -0.01833   0.00157   0.00323   0.00000   0.00318  -0.01515
   D160       3.06089   0.00056   0.00129   0.00000   0.00122   3.06211
   D161      -3.03774  -0.00148  -0.00245   0.00000  -0.00238  -3.04013
   D162       0.04148  -0.00250  -0.00440   0.00000  -0.00434   0.03713
   D163      -3.05076  -0.00065  -0.00110   0.00000  -0.00109  -3.05185
   D164       0.14921  -0.00211  -0.00370   0.00000  -0.00372   0.14549
   D165      -0.06534   0.00240   0.00434   0.00000   0.00436  -0.06099
   D166       3.13463   0.00094   0.00174   0.00000   0.00172   3.13635
   D167       3.11954  -0.00313  -0.00612   0.00000  -0.00604   3.11350
   D168      -0.29738   0.00481   0.00742   0.00000   0.00749  -0.28990
   D169       0.05535  -0.00148  -0.00266   0.00000  -0.00258   0.05277
   D170       2.92160   0.00647   0.01089   0.00000   0.01095   2.93256
   D171      -0.05017   0.00221   0.00490   0.00000   0.00470  -0.04547
   D172      -3.09447  -0.00077  -0.00060   0.00000  -0.00065  -3.09512
   D173      -3.07447   0.00064   0.00126   0.00000   0.00130  -3.07317
   D174       0.16442  -0.00235  -0.00425   0.00000  -0.00406   0.16036
   D175       3.07123   0.00346   0.00636   0.00000   0.00609   3.07732
   D176      -0.07754   0.00176   0.00283   0.00000   0.00269  -0.07485
   D177      -0.21240   0.00347   0.00528   0.00000   0.00530  -0.20710
   D178       2.92202   0.00176   0.00174   0.00000   0.00189   2.92391
   D179       0.02608  -0.00086  -0.00185   0.00000  -0.00198   0.02411
   D180      -3.05224  -0.00064  -0.00141   0.00000  -0.00155  -3.05380
   D181       3.06465  -0.00010  -0.00060   0.00000  -0.00040   3.06425
   D182      -0.01368   0.00012  -0.00016   0.00000   0.00002  -0.01366
   D183      -0.00274  -0.00008   0.00027   0.00000   0.00013  -0.00260
   D184       3.13906   0.00099   0.00194   0.00000   0.00186   3.14092
   D185      -3.02315  -0.00290  -0.00536   0.00000  -0.00544  -3.02859
   D186       0.11865  -0.00183  -0.00369   0.00000  -0.00371   0.11494
   D187       0.00505   0.00004   0.00023   0.00000   0.00023   0.00529
   D188      -3.00166  -0.00082  -0.00190   0.00000  -0.00186  -3.00352
   D189       3.09220   0.00015   0.00065   0.00000   0.00067   3.09287
   D190       0.08548  -0.00072  -0.00148   0.00000  -0.00142   0.08406
   D191       2.94690   0.00332   0.00557   0.00000   0.00555   2.95245
   D192      -0.07568  -0.00007   0.00004   0.00000   0.00007  -0.07561
   D193      -0.12337   0.00312   0.00520   0.00000   0.00519  -0.11818
   D194       3.13724  -0.00027  -0.00033   0.00000  -0.00029   3.13695
   D195      -2.96138  -0.00252  -0.00336   0.00000  -0.00332  -2.96471
   D196       0.01349   0.00102   0.00200   0.00000   0.00203   0.01552
   D197       0.01403  -0.00216  -0.00366   0.00000  -0.00366   0.01038
   D198       2.98891   0.00138   0.00169   0.00000   0.00169   2.99060
   D199       0.01010   0.00026  -0.00036   0.00000  -0.00035   0.00975
   D200       3.11260   0.00300   0.00479   0.00000   0.00459   3.11719
   D201       2.96139   0.00175   0.00314   0.00000   0.00309   2.96448
   D202      -0.21930   0.00449   0.00829   0.00000   0.00804  -0.21126
   D203       2.89947   0.00661   0.01062   0.00000   0.01054   2.91001
   D204      -0.06604  -0.00077  -0.00113   0.00000  -0.00100  -0.06704
   D205      -0.00331   0.00514   0.00898   0.00000   0.00880   0.00548
   D206      -2.96881  -0.00224  -0.00278   0.00000  -0.00275  -2.97156
   D207      -0.02827  -0.00006   0.00061   0.00000   0.00066  -0.02761
   D208      -3.08610  -0.00106  -0.00145   0.00000  -0.00136  -3.08746
   D209      -3.12879  -0.00189  -0.00275   0.00000  -0.00292  -3.13171
   D210       0.09657  -0.00289  -0.00482   0.00000  -0.00494   0.09163
   D211       0.32468  -0.00795  -0.01340   0.00000  -0.01331   0.31137
   D212      -3.08085  -0.00026  -0.00038   0.00000  -0.00041  -3.08126
   D213      -2.86540  -0.00495  -0.00778   0.00000  -0.00780  -2.87320
   D214       0.01226   0.00274   0.00525   0.00000   0.00510   0.01737
   D215       0.03644  -0.00035  -0.00098   0.00000  -0.00102   0.03542
   D216       3.09659  -0.00092  -0.00190   0.00000  -0.00186   3.09473
   D217       3.10772   0.00015   0.00010   0.00000   0.00003   3.10775
   D218      -0.11531  -0.00041  -0.00082   0.00000  -0.00081  -0.11612
   D219       3.05620   0.00198   0.00378   0.00000   0.00371   3.05991
   D220      -0.23071   0.00481   0.00800   0.00000   0.00801  -0.22270
   D221       0.00554   0.00124   0.00222   0.00000   0.00219   0.00773
   D222       3.00181   0.00406   0.00643   0.00000   0.00649   3.00830
   D223      -3.12631   0.00010  -0.00016   0.00000  -0.00020  -3.12651
   D224       0.07179  -0.00067  -0.00095   0.00000  -0.00095   0.07084
   D225       0.12525  -0.00095  -0.00158   0.00000  -0.00161   0.12363
   D226      -2.95984  -0.00172  -0.00237   0.00000  -0.00237  -2.96220
   D227      -0.00371   0.00079   0.00110   0.00000   0.00100  -0.00270
   D228      -3.07242  -0.00135  -0.00239   0.00000  -0.00247  -3.07489
   D229       3.08089   0.00201   0.00327   0.00000   0.00324   3.08413
   D230       0.01219  -0.00013  -0.00022   0.00000  -0.00024   0.01195
   D231       0.08963  -0.00157  -0.00257   0.00000  -0.00264   0.08699
   D232      -3.05087  -0.00178  -0.00290   0.00000  -0.00291  -3.05378
   D233      -3.12414   0.00046   0.00080   0.00000   0.00072  -3.12343
   D234       0.01854   0.00025   0.00047   0.00000   0.00045   0.01899
   D235      -0.11587   0.00235   0.00389   0.00000   0.00390  -0.11198
   D236      -3.01193  -0.00246  -0.00445   0.00000  -0.00436  -3.01629
   D237       3.02462   0.00256   0.00422   0.00000   0.00417   3.02879
   D238       0.12857  -0.00225  -0.00412   0.00000  -0.00409   0.12448
   D239      -0.11675   0.00342   0.00545   0.00000   0.00548  -0.11127
   D240       3.03965   0.00226   0.00335   0.00000   0.00333   3.04298
   D241       2.97167   0.00416   0.00642   0.00000   0.00645   2.97813
   D242      -0.15511   0.00300   0.00431   0.00000   0.00429  -0.15081
   D243       0.11712  -0.00417  -0.00738   0.00000  -0.00740   0.10972
   D244      -3.11613  -0.00112  -0.00197   0.00000  -0.00191  -3.11804
   D245      -3.04107  -0.00266  -0.00463   0.00000  -0.00469  -3.04576
   D246       0.00887   0.00039   0.00079   0.00000   0.00080   0.00967
   D247      -0.08789   0.00328   0.00550   0.00000   0.00548  -0.08241
   D248       3.03376   0.00396   0.00668   0.00000   0.00668   3.04045
   D249      -3.13235  -0.00064  -0.00124   0.00000  -0.00122  -3.13357
   D250      -0.01069   0.00003  -0.00007   0.00000  -0.00002  -0.01071
   D251       0.05895  -0.00215  -0.00349   0.00000  -0.00356   0.05539
   D252      -3.11911  -0.00072  -0.00113   0.00000  -0.00115  -3.12026
   D253       3.08889   0.00008   0.00021   0.00000   0.00021   3.08911
   D254      -0.08916   0.00151   0.00256   0.00000   0.00262  -0.08654
   D255       0.04090  -0.00012  -0.00003   0.00000  -0.00007   0.04083
   D256       3.07193   0.00278   0.00467   0.00000   0.00465   3.07657
   D257      -3.06113  -0.00207  -0.00324   0.00000  -0.00324  -3.06437
   D258      -0.03011   0.00083   0.00146   0.00000   0.00149  -0.02863
   D259      -0.07792   0.00268   0.00441   0.00000   0.00441  -0.07351
   D260      -3.05643  -0.00073  -0.00096   0.00000  -0.00094  -3.05737
   D261      -3.10878  -0.00042  -0.00051   0.00000  -0.00052  -3.10930
   D262       0.19590  -0.00382  -0.00588   0.00000  -0.00587   0.19002
   D263       0.11138  -0.00331  -0.00567   0.00000  -0.00566   0.10572
   D264      -3.09150  -0.00167  -0.00295   0.00000  -0.00296  -3.09446
   D265      -3.02407  -0.00176  -0.00257   0.00000  -0.00256  -3.02663
   D266       0.05624  -0.00012   0.00014   0.00000   0.00014   0.05638
   D267       0.05664  -0.00135  -0.00213   0.00000  -0.00206   0.05458
   D268      -3.05997  -0.00142  -0.00227   0.00000  -0.00224  -3.06221
   D269      -3.03115  -0.00181  -0.00282   0.00000  -0.00280  -3.03395
   D270       0.13543  -0.00188  -0.00296   0.00000  -0.00298   0.13245
   D271      -0.10890   0.00277   0.00411   0.00000   0.00410  -0.10480
   D272       3.03248   0.00166   0.00238   0.00000   0.00231   3.03479
   D273       3.00791   0.00279   0.00419   0.00000   0.00422   3.01213
   D274      -0.13389   0.00168   0.00246   0.00000   0.00243  -0.13146
   D275       0.09925  -0.00308  -0.00515   0.00000  -0.00507   0.09418
   D276       3.09645   0.00162   0.00245   0.00000   0.00240   3.09886
   D277      -2.90916  -0.00427  -0.00672   0.00000  -0.00663  -2.91580
   D278       0.08804   0.00043   0.00088   0.00000   0.00084   0.08888
   D279      -0.08934   0.00146   0.00199   0.00000   0.00212  -0.08722
   D280       2.95935   0.00341   0.00493   0.00000   0.00503   2.96438
   D281      -3.09993  -0.00103  -0.00184   0.00000  -0.00187  -3.10180
   D282      -0.05124   0.00092   0.00110   0.00000   0.00104  -0.05020
   D283      -0.02275  -0.00001  -0.00021   0.00000  -0.00018  -0.02293
   D284       3.06598   0.00048   0.00025   0.00000   0.00024   3.06622
   D285      -3.07521  -0.00166  -0.00288   0.00000  -0.00283  -3.07804
   D286       0.01353  -0.00117  -0.00242   0.00000  -0.00241   0.01111
   D287       0.08221  -0.00370  -0.00619   0.00000  -0.00614   0.07607
   D288      -3.12716  -0.00281  -0.00496   0.00000  -0.00489  -3.13205
   D289       3.06544   0.00143   0.00235   0.00000   0.00241   3.06786
   D290      -0.14393   0.00232   0.00358   0.00000   0.00367  -0.14026
   D291       0.04755  -0.00437  -0.00767   0.00000  -0.00751   0.04004
   D292       3.12219  -0.00109  -0.00209   0.00000  -0.00199   3.12020
   D293      -3.02675  -0.00508  -0.00860   0.00000  -0.00848  -3.03523
   D294       0.04789  -0.00180  -0.00301   0.00000  -0.00296   0.04493
   D295      -0.23426   0.00626   0.01031   0.00000   0.01052  -0.22374
   D296      -3.12757   0.00122   0.00161   0.00000   0.00147  -3.12610
   D297       2.97353   0.00315   0.00509   0.00000   0.00535   2.97887
   D298       0.08022  -0.00189  -0.00361   0.00000  -0.00371   0.07651
   D299       2.16447   0.01537  -0.00946   0.00000  -0.00970   2.15477
   D300      -0.06681   0.01947   0.01848   0.00000   0.02036  -0.04645
   D301      -1.87283  -0.02936  -0.06274   0.00000  -0.06437  -1.93720
   D302       1.37923  -0.01149  -0.01909   0.00000  -0.01905   1.36018
   D303      -2.71088  -0.01410  -0.02650   0.00000  -0.02829  -2.73917
   D304      -0.75383   0.02258   0.04008   0.00000   0.04183  -0.71201
   D305      -2.67502  -0.00020   0.00413   0.00000   0.00404  -2.67098
   D306      -0.62470   0.00334   0.01252   0.00000   0.01262  -0.61207
   D307       1.45564   0.00172   0.00287   0.00000   0.00285   1.45849
   D308      -3.02016  -0.00782  -0.01232   0.00000  -0.01237  -3.03254
   D309      -1.02940   0.00051   0.00057   0.00000   0.00059  -1.02881
   D310       1.03498   0.00350   0.00581   0.00000   0.00584   1.04082
   D311      -2.92472   0.00622  -0.00594   0.00000  -0.00597  -2.93070
   D312      -0.79621   0.00396  -0.00936   0.00000  -0.00942  -0.80563
   D313       1.21259   0.00842  -0.00297   0.00000  -0.00297   1.20962
   D314       1.33953  -0.00530   0.00589   0.00000   0.00597   1.34549
   D315      -2.81514  -0.00756   0.00248   0.00000   0.00252  -2.81262
   D316      -0.80635  -0.00310   0.00886   0.00000   0.00897  -0.79738
   D317      -0.76594  -0.00257  -0.00227   0.00000  -0.00231  -0.76825
   D318       1.36258  -0.00483  -0.00568   0.00000  -0.00576   1.35682
   D319      -2.91181  -0.00037   0.00070   0.00000   0.00069  -2.91112
   D320      -0.80722  -0.00188   0.01794   0.00000   0.01806  -0.78916
   D321       1.24625  -0.00383   0.00839   0.00000   0.00833   1.25458
   D322      -2.91356   0.00033   0.02026   0.00000   0.02020  -2.89336
   D323      -2.70524   0.00087   0.00169   0.00000   0.00174  -2.70350
   D324      -0.64247   0.00216   0.00416   0.00000   0.00420  -0.63827
   D325       1.37797   0.00560   0.00925   0.00000   0.00927   1.38724
   D326       1.62781  -0.00889  -0.01535   0.00000  -0.01534   1.61247
   D327      -2.59260  -0.00760  -0.01288   0.00000  -0.01288  -2.60548
   D328      -0.57216  -0.00416  -0.00779   0.00000  -0.00781  -0.57997
   D329      -0.60345  -0.00035   0.00013   0.00000   0.00011  -0.60335
   D330       1.45932   0.00094   0.00260   0.00000   0.00256   1.46188
   D331      -2.80343   0.00439   0.00769   0.00000   0.00764  -2.79579
         Item               Value     Threshold  Converged?
 Maximum Force            0.059481     0.000450     NO 
 RMS     Force            0.013430     0.000300     NO 
 Maximum Displacement     0.697357     0.001800     NO 
 RMS     Displacement     0.153700     0.001200     NO 
 Predicted change in Energy=-9.332042D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.646793    3.401567    0.139888
      2          6           0       -2.771409    2.002877    0.024452
      3          6           0       -1.723871    1.070893    0.015690
      4          6           0       -0.379501    1.582673   -0.076002
      5          6           0       -0.233919    2.969195    0.136130
      6          6           0       -1.307250    3.848919    0.276973
      7          6           0       -1.926328   -0.368565   -0.067241
      8          6           0       -0.784326   -1.230076   -0.236588
      9          6           0        0.579459   -0.780366   -0.181195
     10          6           0        0.764056    0.680884   -0.195523
     11          6           0       -3.193928   -0.963273   -0.084953
     12          6           0       -3.464340   -2.331806   -0.275281
     13          6           0       -2.320325   -3.088185   -0.656287
     14          6           0       -1.027748   -2.577920   -0.642741
     15          7           0        1.731534   -1.531345   -0.054132
     16          6           0        3.003913   -0.975953   -0.191478
     17          6           0        3.102133    0.445787   -0.315585
     18          7           0        1.990163    1.229478   -0.288082
     19          6           0        4.175049   -1.698937   -0.458255
     20          6           0        5.442787   -1.111716   -0.460088
     21          6           0        5.582043    0.317867   -0.469063
     22          6           0        4.379585    1.037065   -0.489099
     23          7           0       -3.753007    4.251229    0.065542
     24          7           0       -4.722205   -2.947660   -0.179761
     25          7           0        6.867700    0.911966   -0.501087
     26          6           0       -4.954593   -4.258176    0.317551
     27          6           0       -6.369893   -4.502491    0.301570
     28          6           0       -7.009951   -3.306529   -0.230447
     29          6           0       -5.970470   -2.388641   -0.522327
     30          6           0       -3.878617    5.519975    0.674757
     31          6           0       -5.132384    6.095988    0.355130
     32          6           0       -5.805138    5.162151   -0.553434
     33          6           0       -4.925318    4.048327   -0.707778
     34          6           0        7.164667    2.215265   -0.028930
     35          6           0        8.541684    2.502338   -0.262503
     36          6           0        9.100029    1.333602   -0.913267
     37          6           0        8.056323    0.349922   -1.025365
     38          6           0       -8.350204   -3.031320   -0.596341
     39          6           0       -8.631096   -1.803067   -1.183900
     40          6           0       -7.637323   -0.817569   -1.428189
     41          6           0       -6.311913   -1.169277   -1.147910
     42          6           0       -4.150083   -5.250673    0.904901
     43          6           0       -4.697029   -6.459576    1.357578
     44          6           0       -6.089185   -6.656571    1.356631
     45          6           0       -6.932583   -5.695168    0.779763
     46          6           0       -7.007468    5.222075   -1.266408
     47          6           0       -7.304070    4.262997   -2.248315
     48          6           0       -6.396412    3.209937   -2.445312
     49          6           0       -5.247791    3.067703   -1.668096
     50          6           0       -3.062267    6.194423    1.614536
     51          6           0       -3.398569    7.492629    1.988302
     52          6           0       -4.600667    8.117685    1.556096
     53          6           0       -5.509327    7.382719    0.780705
     54          6           0       10.401180    1.011097   -1.328150
     55          6           0       10.714197   -0.236043   -1.856700
     56          6           0        9.661213   -1.158375   -2.082395
     57          6           0        8.356736   -0.862559   -1.685828
     58          6           0        6.437648    3.108049    0.793572
     59          6           0        7.078283    4.234455    1.341295
     60          6           0        8.411573    4.505354    0.986305
     61          6           0        9.141620    3.737876    0.070971
     62          8           0        0.405948   -3.512144    1.310107
     63         15           0        1.625388   -3.208209    0.519251
     64          8           0        2.992102   -3.513890    1.369506
     65          8           0        1.559548   -4.433633   -0.650823
     66          6           0        2.806260   -3.952184    2.713932
     67          6           0        4.018675   -3.559137    3.524911
     68          6           0        2.742714   -4.893454   -1.366659
     69          6           0        2.235594   -5.865186   -2.414280
     70          1           0       -3.802072    1.648881    0.185449
     71          1           0        0.745971    3.452801    0.159784
     72          1           0       -1.000361    4.906422    0.352786
     73          1           0       -4.037522   -0.325185    0.133209
     74          1           0       -2.433754   -4.135527   -0.981429
     75          1           0       -0.362645   -3.305478   -1.089432
     76          1           0        4.177355   -2.787809   -0.369561
     77          1           0        6.229170   -1.834430   -0.360056
     78          1           0        4.488066    2.099793   -0.617480
     79          1           0       -9.154929   -3.727882   -0.383005
     80          1           0       -9.680506   -1.549868   -1.415574
     81          1           0       -7.900661    0.175531   -1.818900
     82          1           0       -5.619545   -0.328432   -1.239566
     83          1           0       -3.056691   -5.058527    1.063068
     84          1           0       -3.971113   -7.193880    1.706678
     85          1           0       -6.463915   -7.606128    1.739911
     86          1           0       -7.994010   -5.921311    0.709497
     87          1           0       -7.714089    6.074087   -1.163482
     88          1           0       -8.245964    4.366638   -2.789715
     89          1           0       -6.649205    2.418251   -3.169444
     90          1           0       -4.536987    2.272320   -1.921385
     91          1           0       -2.160942    5.801586    2.115457
     92          1           0       -2.806760    8.103235    2.671187
     93          1           0       -4.805202    9.152891    1.799988
     94          1           0       -6.485703    7.770329    0.502475
     95          1           0       11.209109    1.761747   -1.379855
     96          1           0       11.704756   -0.515024   -2.226926
     97          1           0        9.821883   -2.085392   -2.644089
     98          1           0        7.587580   -1.591335   -1.959407
     99          1           0        5.436198    2.921097    1.166185
    100          1           0        6.535253    4.918911    1.978398
    101          1           0        8.890807    5.392949    1.401799
    102          1           0       10.176759    3.994600   -0.148471
    103          1           0        1.911772   -3.408690    3.079960
    104          1           0        2.618896   -5.045161    2.774474
    105          1           0        4.023472   -4.050188    4.497179
    106          1           0        4.953144   -3.826085    2.956634
    107          1           0        4.038014   -2.462358    3.638838
    108          1           0        3.139866   -4.005123   -1.878183
    109          1           0        3.459175   -5.272203   -0.622625
    110          1           0        2.985721   -6.609149   -2.733694
    111          1           0        1.401460   -6.438274   -2.007059
    112          1           0        1.819290   -5.343445   -3.298774
    113         17           0        1.659763   -0.425728    2.515904
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0360744           0.0178450           0.0128377
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10559.7569249202 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.93D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999988    0.004076    0.000550   -0.002708 Ang=   0.56 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.34195057     A.U. after   17 cycles
            NFock= 17  Conv=0.29D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.032429507   -0.011281545   -0.004976523
      2        6          -0.032211086   -0.005605262    0.022544927
      3        6           0.016376705    0.019100360   -0.011335344
      4        6          -0.016164961   -0.004555978    0.014443745
      5        6           0.002163560    0.007688757   -0.003947666
      6        6           0.005625594    0.012828913   -0.010916993
      7        6           0.012854749   -0.016846396   -0.007755502
      8        6           0.014908784   -0.026739237   -0.015915700
      9        6          -0.004724286    0.038084403    0.017441295
     10        6           0.040682922    0.005521138    0.000620912
     11        6          -0.022635211    0.002343040    0.009867087
     12        6           0.031075764    0.002881571   -0.006923484
     13        6          -0.003267149   -0.014934334   -0.000112497
     14        6          -0.038762634   -0.006444408   -0.001125721
     15        7          -0.002420634   -0.026419574   -0.031699000
     16        6           0.002609755    0.019978057   -0.024311344
     17        6          -0.005416069   -0.003888357   -0.000184326
     18        7          -0.019489195   -0.002628401   -0.004822959
     19        6           0.009029075   -0.011941711    0.024100485
     20        6          -0.022096019    0.007286378    0.002615024
     21        6          -0.001909170   -0.028392572   -0.002416434
     22        6           0.015443670    0.006260327    0.001290956
     23        7          -0.012038472    0.005888272    0.001708358
     24        7           0.004436359    0.002613194    0.002686852
     25        7          -0.010451468    0.000588294   -0.000384248
     26        6          -0.023037250   -0.017764486    0.014660117
     27        6          -0.003348820    0.007292688   -0.004329628
     28        6           0.001543361   -0.011525549   -0.010039914
     29        6          -0.020803769    0.007541523   -0.008277166
     30        6           0.000643113    0.009292036    0.021564369
     31        6          -0.008134459   -0.005227750   -0.015250581
     32        6           0.010636200   -0.000352171    0.010892469
     33        6          -0.010707940    0.000417508   -0.012933742
     34        6           0.010322212    0.014747589    0.019259039
     35        6           0.004603918   -0.000892165   -0.025098166
     36        6          -0.003410124   -0.014438002    0.002756262
     37        6           0.017055126    0.011270680   -0.008278849
     38        6           0.014470246    0.010420652    0.003360817
     39        6          -0.019099976    0.014613852   -0.003884193
     40        6           0.000953825   -0.029783149    0.006790134
     41        6           0.006366444    0.029518561    0.009410795
     42        6           0.030932356    0.018881645   -0.003147388
     43        6          -0.000901130    0.016841622   -0.001801097
     44        6           0.007823759   -0.005482011   -0.010226779
     45        6           0.012909904   -0.007107628    0.007295242
     46        6          -0.013128076    0.009785660   -0.011984320
     47        6           0.004440612    0.007215061    0.016445403
     48        6          -0.012517463   -0.012870805   -0.002605683
     49        6           0.018042293    0.000753390   -0.003048539
     50        6           0.016031057    0.001775171    0.006126188
     51        6          -0.025038328    0.014117283   -0.002358709
     52        6           0.001560538   -0.017361574   -0.008463047
     53        6           0.013087670   -0.000101928    0.004693201
     54        6           0.016976157    0.012000522   -0.009399672
     55        6          -0.014881826   -0.017311951   -0.011041911
     56        6           0.001169963    0.009253711    0.002005685
     57        6          -0.014333412   -0.007958154   -0.000319702
     58        6          -0.002417866    0.000139662    0.010836951
     59        6           0.010837485   -0.015335607   -0.021242464
     60        6           0.003962351    0.020962247   -0.006681309
     61        6          -0.016024044   -0.016836025    0.029463224
     62        8           0.002491999    0.016058314   -0.005523699
     63       15          -0.013315335   -0.063744259    0.044030036
     64        8          -0.006356130    0.008783472   -0.045880320
     65        8           0.012833683    0.038827753    0.007484341
     66        6          -0.021102503   -0.000338946    0.034856318
     67        6           0.019613912    0.011893452   -0.020552382
     68        6          -0.009041839    0.015678669   -0.005829744
     69        6          -0.003033246   -0.011970540   -0.006922210
     70        1           0.010002416   -0.000006319   -0.008987127
     71        1          -0.000179353   -0.011741061   -0.000066759
     72        1          -0.011807593   -0.011649994    0.001731535
     73        1          -0.001245133    0.001366910    0.000629031
     74        1          -0.003397803    0.011395220    0.003036893
     75        1           0.012560316    0.014086664    0.004219443
     76        1          -0.002219325    0.007493982   -0.003914230
     77        1           0.012518932    0.006405999   -0.004940158
     78        1          -0.011598502    0.004581990    0.000532253
     79        1           0.002292108   -0.001383924   -0.000638635
     80        1           0.010195695   -0.002829398    0.001389725
     81        1           0.005499788   -0.009280113    0.003053887
     82        1           0.006823344   -0.010842954   -0.004544568
     83        1          -0.019467491   -0.008559416   -0.005814022
     84        1          -0.008138887   -0.001826153    0.004400164
     85        1          -0.004340085    0.003547559   -0.002389326
     86        1          -0.000743700    0.006998126    0.000862789
     87        1           0.014026722   -0.008645211    0.003146531
     88        1           0.006380300   -0.004208491   -0.001474516
     89        1           0.004779732    0.009131766    0.003724334
     90        1          -0.006549953    0.003070095    0.005176902
     91        1          -0.009366252   -0.006004220   -0.013479031
     92        1           0.007417436   -0.009196468   -0.001781388
     93        1          -0.000934136    0.000071892    0.004405377
     94        1           0.001832344    0.002282495   -0.000815833
     95        1          -0.009837013   -0.004181560    0.010303728
     96        1          -0.003311187    0.007701172    0.004964538
     97        1           0.001826031    0.005130699    0.006296067
     98        1           0.001435961    0.007009898    0.004691772
     99        1          -0.001374087   -0.005078008   -0.007156144
    100        1          -0.000774171   -0.001573457    0.003391661
    101        1          -0.002349180   -0.000466172   -0.001480375
    102        1          -0.002749067   -0.004992452   -0.001906185
    103        1           0.009618305   -0.009077692    0.002950644
    104        1           0.000224626    0.008438368   -0.008347753
    105        1          -0.000264804   -0.000417047    0.001699564
    106        1          -0.012261802   -0.001392888    0.012654592
    107        1          -0.000487402   -0.006297690    0.003089976
    108        1           0.009992466   -0.004786950    0.001962179
    109        1          -0.001701735   -0.003705171   -0.007354501
    110        1          -0.001865509    0.008626934    0.000063108
    111        1          -0.000119920   -0.002404069    0.004348495
    112        1           0.008180190   -0.001434332    0.006649128
    113       17          -0.003247362    0.001576485    0.018414959
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.063744259 RMS     0.012862008

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.069032049 RMS     0.008823569
 Search for a local minimum.
 Step number   4 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 ITU=  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00229   0.00641   0.00985   0.01130   0.01306
     Eigenvalues ---    0.01344   0.01694   0.01734   0.02209   0.02247
     Eigenvalues ---    0.02467   0.02497   0.02531   0.02572   0.02593
     Eigenvalues ---    0.02620   0.02666   0.02669   0.02688   0.02691
     Eigenvalues ---    0.02705   0.02708   0.02713   0.02722   0.02746
     Eigenvalues ---    0.02748   0.02759   0.02764   0.02778   0.02794
     Eigenvalues ---    0.02800   0.02821   0.02822   0.02823   0.02825
     Eigenvalues ---    0.02833   0.02836   0.02865   0.02866   0.02874
     Eigenvalues ---    0.02879   0.02881   0.02884   0.02893   0.02902
     Eigenvalues ---    0.02914   0.02916   0.02917   0.02919   0.02919
     Eigenvalues ---    0.02924   0.02940   0.02942   0.02945   0.02946
     Eigenvalues ---    0.02947   0.02950   0.02952   0.02953   0.02956
     Eigenvalues ---    0.02961   0.02967   0.02970   0.02973   0.02974
     Eigenvalues ---    0.02982   0.02986   0.02989   0.02995   0.02997
     Eigenvalues ---    0.03000   0.03001   0.03007   0.03008   0.03025
     Eigenvalues ---    0.03026   0.03039   0.03051   0.03051   0.03062
     Eigenvalues ---    0.03063   0.03067   0.03074   0.03089   0.03102
     Eigenvalues ---    0.03116   0.03120   0.03126   0.03145   0.03162
     Eigenvalues ---    0.03171   0.03185   0.03200   0.03205   0.03218
     Eigenvalues ---    0.03251   0.03257   0.03258   0.03271   0.03292
     Eigenvalues ---    0.03572   0.05073   0.05204   0.05330   0.05546
     Eigenvalues ---    0.05880   0.05887   0.06037   0.06310   0.08356
     Eigenvalues ---    0.09044   0.09225   0.11420   0.13115   0.13491
     Eigenvalues ---    0.15325   0.15377   0.15466   0.15596   0.15642
     Eigenvalues ---    0.15801   0.15803   0.15831   0.15836   0.15846
     Eigenvalues ---    0.15904   0.15906   0.15924   0.15937   0.15941
     Eigenvalues ---    0.15951   0.15963   0.15965   0.15967   0.15977
     Eigenvalues ---    0.15981   0.15982   0.15982   0.15983   0.15988
     Eigenvalues ---    0.15991   0.15993   0.15996   0.15997   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16031
     Eigenvalues ---    0.17939   0.20612   0.21761   0.21899   0.21938
     Eigenvalues ---    0.21949   0.21972   0.21976   0.21998   0.22130
     Eigenvalues ---    0.22242   0.22312   0.22367   0.22491   0.22509
     Eigenvalues ---    0.22541   0.22557   0.22570   0.22589   0.23143
     Eigenvalues ---    0.23368   0.23423   0.23760   0.23954   0.24030
     Eigenvalues ---    0.24096   0.24224   0.24269   0.24316   0.24343
     Eigenvalues ---    0.24411   0.24426   0.24500   0.24620   0.24692
     Eigenvalues ---    0.24695   0.24753   0.24758   0.24822   0.24850
     Eigenvalues ---    0.24866   0.24898   0.24909   0.24931   0.24942
     Eigenvalues ---    0.24964   0.24969   0.24975   0.24987   0.24990
     Eigenvalues ---    0.24999   0.25000   0.25745   0.26294   0.26688
     Eigenvalues ---    0.27563   0.28335   0.28392   0.28739   0.28854
     Eigenvalues ---    0.28968   0.29322   0.29393   0.29714   0.30238
     Eigenvalues ---    0.30585   0.30678   0.30702   0.30885   0.30948
     Eigenvalues ---    0.31126   0.31252   0.31366   0.31392   0.31410
     Eigenvalues ---    0.31518   0.32120   0.32209   0.32259   0.32459
     Eigenvalues ---    0.33107   0.33508   0.33537   0.33915   0.33971
     Eigenvalues ---    0.34193   0.34493   0.34666   0.34936   0.34971
     Eigenvalues ---    0.35151   0.35455   0.35583   0.36384   0.36766
     Eigenvalues ---    0.37142   0.37310   0.37518   0.38806   0.41502
     Eigenvalues ---    0.41530   0.42036   0.42492   0.42697   0.43430
     Eigenvalues ---    0.44018   0.45186   0.45517   0.46333   0.46953
     Eigenvalues ---    0.46985   0.47246   0.47640   0.48113   0.48338
     Eigenvalues ---    0.50166   0.50213   0.50628   0.50891   0.51142
     Eigenvalues ---    0.51658   0.51696   0.52071   0.52402   0.53044
     Eigenvalues ---    0.53053   0.53153   0.53727   0.54179   0.54253
     Eigenvalues ---    0.54631   0.55078   0.55351   0.55531   0.55669
     Eigenvalues ---    0.56002   0.56179   0.56298   0.56336   0.56561
     Eigenvalues ---    0.56645   0.56691   0.56945   0.57085   0.57371
     Eigenvalues ---    0.57520   0.57900   0.58182   0.58241   0.58306
     Eigenvalues ---    0.58473   0.58504   0.58597   0.58857   0.59379
     Eigenvalues ---    0.59611   0.59752   0.59798   0.59815   0.60250
     Eigenvalues ---    0.60876   0.61607   0.61802   0.62860   0.63183
     Eigenvalues ---    0.63597   0.64078   0.65272   0.65947   0.66846
     Eigenvalues ---    0.67872   0.68855   0.72000   0.73385   0.74609
     Eigenvalues ---    0.80431   0.82592   0.87106
 RFO step:  Lambda=-1.49124097D-01 EMin= 2.28972772D-03
 Quartic linear search produced a step of -0.01812.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.931
 Iteration  1 RMS(Cart)=  0.07839587 RMS(Int)=  0.01764688
 Iteration  2 RMS(Cart)=  0.08847020 RMS(Int)=  0.00999075
 Iteration  3 RMS(Cart)=  0.04932284 RMS(Int)=  0.00181285
 Iteration  4 RMS(Cart)=  0.00244672 RMS(Int)=  0.00041499
 Iteration  5 RMS(Cart)=  0.00000882 RMS(Int)=  0.00041499
 Iteration  6 RMS(Cart)=  0.00000000 RMS(Int)=  0.00041499
 Iteration  1 RMS(Cart)=  0.07936475 RMS(Int)=  0.01508628
 Iteration  2 RMS(Cart)=  0.09007028 RMS(Int)=  0.00807365
 Iteration  3 RMS(Cart)=  0.02566450 RMS(Int)=  0.00054289
 Iteration  4 RMS(Cart)=  0.00073454 RMS(Int)=  0.00033593
 Iteration  5 RMS(Cart)=  0.00000105 RMS(Int)=  0.00033593
 Iteration  6 RMS(Cart)=  0.00000000 RMS(Int)=  0.00033593
 ITry= 2 IFail=0 DXMaxC= 3.14D+00 DCOld= 3.47D+00 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08019018 RMS(Int)=  0.01256221
 Iteration  2 RMS(Cart)=  0.08677571 RMS(Int)=  0.00622778
 Iteration  3 RMS(Cart)=  0.00887769 RMS(Int)=  0.00026632
 Iteration  4 RMS(Cart)=  0.00007386 RMS(Int)=  0.00026512
 Iteration  5 RMS(Cart)=  0.00000003 RMS(Int)=  0.00026512
 ITry= 3 IFail=0 DXMaxC= 2.81D+00 DCOld= 3.14D+00 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.66256  -0.00761  -0.00110   0.00259   0.00101   2.66357
    R2        2.68134  -0.00925  -0.00130   0.00276   0.00095   2.68229
    R3        2.63965  -0.00065  -0.00140   0.01373   0.00959   2.64923
    R4        2.64967  -0.00583  -0.00106   0.00407   0.00219   2.65186
    R5        2.08170  -0.01050   0.00042  -0.02505  -0.01962   2.06208
    R6        2.72387  -0.01808  -0.00126  -0.01185  -0.01080   2.71307
    R7        2.75142   0.00128  -0.00196   0.02167   0.01538   2.76680
    R8        2.66487  -0.00853  -0.00118   0.00159   0.00005   2.66493
    R9        2.76135  -0.01064  -0.00201   0.00651   0.00316   2.76451
   R10        2.63601  -0.00719  -0.00090   0.00078  -0.00029   2.63572
   R11        2.06544  -0.00653   0.00046  -0.01764  -0.01365   2.05180
   R12        2.08577  -0.01338   0.00070  -0.03502  -0.02731   2.05845
   R13        2.72215  -0.00746  -0.00098   0.00161   0.00033   2.72248
   R14        2.64616  -0.00455  -0.00095   0.00452   0.00267   2.64883
   R15        2.71570   0.00409  -0.00152   0.02138   0.01561   2.73131
   R16        2.69966  -0.00762  -0.00094  -0.00036  -0.00125   2.69841
   R17        2.78344  -0.00544  -0.00133   0.00413   0.00201   2.78545
   R18        2.60987  -0.00438  -0.00075   0.00384   0.00235   2.61222
   R19        2.54438  -0.03459  -0.00172  -0.01356  -0.01254   2.53183
   R20        2.66058  -0.01146  -0.00107  -0.00299  -0.00344   2.65714
   R21        2.04091   0.00186  -0.00034   0.00669   0.00502   2.04592
   R22        2.68982  -0.01164  -0.00140   0.00017  -0.00123   2.68859
   R23        2.65278  -0.01017  -0.00186   0.00844   0.00489   2.65767
   R24        2.62618  -0.00756  -0.00015  -0.00902  -0.00737   2.61881
   R25        2.08343  -0.01179   0.00070  -0.03161  -0.02459   2.05883
   R26        2.04513  -0.00180   0.00010  -0.00425  -0.00330   2.04183
   R27        2.63634   0.00690  -0.00124   0.02275   0.01693   2.65326
   R28        3.35495   0.00848  -0.00004   0.01745   0.01392   3.36887
   R29        2.70330  -0.00393  -0.00189   0.01649   0.01122   2.71452
   R30        2.64928  -0.00045  -0.00066   0.00735   0.00520   2.65449
   R31        2.57128  -0.01554  -0.00184   0.00421   0.00150   2.57278
   R32        2.68022  -0.01337  -0.00123  -0.00388  -0.00434   2.67587
   R33        2.64021  -0.00730  -0.00076  -0.00104  -0.00158   2.63863
   R34        2.06449  -0.00807   0.00014  -0.01629  -0.01290   2.05159
   R35        2.71436  -0.01598  -0.00150  -0.00482  -0.00533   2.70903
   R36        2.02714   0.00597  -0.00057   0.01544   0.01178   2.03892
   R37        2.64801  -0.01110  -0.00065  -0.00850  -0.00744   2.64057
   R38        2.67708  -0.01188  -0.00160   0.00291   0.00072   2.67780
   R39        2.03323   0.00467  -0.00057   0.01341   0.01016   2.04339
   R40        2.67023  -0.00609  -0.00163   0.01009   0.00645   2.67668
   R41        2.68149  -0.00820  -0.00196   0.01105   0.00689   2.68837
   R42        2.68499  -0.00973  -0.00130   0.00104  -0.00047   2.68453
   R43        2.66446  -0.00319  -0.00226   0.01995   0.01372   2.67818
   R44        2.67896  -0.00672  -0.00230   0.01650   0.01089   2.68984
   R45        2.67487  -0.00705  -0.00196   0.01238   0.00796   2.68283
   R46        2.71425  -0.01365  -0.00096  -0.00986  -0.00883   2.70542
   R47        2.65724  -0.01001  -0.00129   0.00170   0.00011   2.65736
   R48        2.75346  -0.00412  -0.00182   0.01357   0.00903   2.76248
   R49        2.65085  -0.00797  -0.00160   0.00751   0.00440   2.65525
   R50        2.67797  -0.00416  -0.00145   0.01093   0.00729   2.68526
   R51        2.67641  -0.01305  -0.00105  -0.00549  -0.00549   2.67093
   R52        2.66899  -0.01315  -0.00109  -0.00479  -0.00489   2.66410
   R53        2.67640  -0.00558  -0.00195   0.01420   0.00943   2.68584
   R54        2.67547  -0.01463  -0.00123  -0.00484  -0.00510   2.67038
   R55        2.77097  -0.00884  -0.00207   0.01020   0.00608   2.77706
   R56        2.65833  -0.00728  -0.00086  -0.00030  -0.00109   2.65724
   R57        2.69808  -0.00855  -0.00093  -0.00225  -0.00274   2.69534
   R58        2.64394  -0.00536  -0.00089   0.00255   0.00113   2.64507
   R59        2.66433  -0.00951  -0.00101  -0.00138  -0.00210   2.66222
   R60        2.69453  -0.00979  -0.00158   0.00450   0.00197   2.69650
   R61        2.67390  -0.01339  -0.00108  -0.00586  -0.00577   2.66812
   R62        2.73925  -0.00285  -0.00216   0.01879   0.01288   2.75212
   R63        2.67093  -0.01079  -0.00111  -0.00198  -0.00269   2.66824
   R64        2.71852  -0.01368  -0.00149  -0.00196  -0.00302   2.71550
   R65        2.65177  -0.00716  -0.00088   0.00028  -0.00065   2.65112
   R66        2.67018  -0.01301  -0.00050  -0.01309  -0.01096   2.65923
   R67        2.62715  -0.00345  -0.00149   0.01172   0.00785   2.63500
   R68        2.05128  -0.00066   0.00002  -0.00143  -0.00112   2.05016
   R69        2.68479  -0.01053  -0.00074  -0.00659  -0.00599   2.67880
   R70        2.08645  -0.01053   0.00035  -0.02423  -0.01904   2.06742
   R71        2.64492  -0.00564  -0.00115   0.00534   0.00317   2.64809
   R72        2.07720  -0.01105   0.00075  -0.03074  -0.02384   2.05335
   R73        2.06560  -0.00484   0.00007  -0.00961  -0.00762   2.05798
   R74        2.64933  -0.00617  -0.00106   0.00404   0.00219   2.65152
   R75        2.11906  -0.02161   0.00090  -0.05669  -0.04445   2.07460
   R76        2.65700  -0.00370  -0.00078   0.00395   0.00236   2.65936
   R77        2.05974  -0.00364   0.00023  -0.00928  -0.00719   2.05255
   R78        2.65128  -0.00844  -0.00111   0.00155   0.00009   2.65137
   R79        2.06057  -0.00309   0.00011  -0.00678  -0.00532   2.05525
   R80        2.05512  -0.00157   0.00006  -0.00343  -0.00269   2.05243
   R81        2.65367  -0.00725  -0.00037  -0.00602  -0.00519   2.64847
   R82        2.10077  -0.01574   0.00079  -0.04173  -0.03259   2.06818
   R83        2.65343  -0.00168  -0.00071   0.00573   0.00387   2.65730
   R84        2.06233  -0.00485   0.00035  -0.01305  -0.01008   2.05225
   R85        2.63454  -0.00207  -0.00104   0.00867   0.00591   2.64046
   R86        2.08302  -0.01004   0.00048  -0.02501  -0.01953   2.06349
   R87        2.07184  -0.00794   0.00043  -0.02001  -0.01558   2.05626
   R88        2.63082  -0.00236  -0.00080   0.00567   0.00373   2.63455
   R89        2.08524  -0.01252   0.00061  -0.03186  -0.02488   2.06036
   R90        2.68749  -0.01004  -0.00150   0.00361   0.00137   2.68887
   R91        2.06094  -0.00327   0.00003  -0.00627  -0.00498   2.05596
   R92        2.65038  -0.01055  -0.00112  -0.00108  -0.00198   2.64840
   R93        2.04664   0.00126  -0.00021   0.00437   0.00329   2.04993
   R94        2.05361  -0.00097   0.00003  -0.00210  -0.00164   2.05196
   R95        2.62713  -0.00185  -0.00124   0.01111   0.00765   2.63477
   R96        2.08633  -0.01040   0.00039  -0.02463  -0.01931   2.06702
   R97        2.67942  -0.00853  -0.00149   0.00581   0.00314   2.68256
   R98        2.06673  -0.00604   0.00030  -0.01467  -0.01144   2.05529
   R99        2.63644  -0.00286  -0.00070   0.00385   0.00237   2.63881
   R100       2.07067  -0.00700   0.00040  -0.01782  -0.01386   2.05682
   R101       2.06799  -0.00715   0.00042  -0.01836  -0.01426   2.05372
   R102       2.65855  -0.00945  -0.00051  -0.00727  -0.00631   2.65224
   R103       2.04989  -0.00010  -0.00000  -0.00010  -0.00009   2.04980
   R104       2.65711  -0.00337  -0.00105   0.00738   0.00487   2.66198
   R105       2.04341   0.00151  -0.00007   0.00335   0.00261   2.04601
   R106       2.64550  -0.00666  -0.00102   0.00299   0.00138   2.64688
   R107       2.06156  -0.00175  -0.00026  -0.00022  -0.00043   2.06112
   R108       2.05761  -0.00375   0.00038  -0.01125  -0.00862   2.04900
   R109       2.80601  -0.00960   0.00006  -0.00968  -0.00768   2.79833
   R110       3.09609  -0.01386   0.00074  -0.03215  -0.02498   3.07111
   R111       3.20423  -0.02861   0.00052  -0.05935  -0.04696   3.15727
   R112       2.69518   0.04191  -0.00045   0.06489   0.05147   2.74664
   R113       2.75391   0.00559  -0.00047   0.01384   0.01060   2.76451
   R114       2.85475   0.00496  -0.00041   0.01341   0.01031   2.86506
   R115       2.09536  -0.00111   0.00070  -0.01063  -0.00780   2.08755
   R116       2.09868  -0.00910   0.00044  -0.02289  -0.01788   2.08080
   R117       2.05838   0.00169  -0.00009   0.00392   0.00305   2.06143
   R118       2.12746  -0.01669   0.00074  -0.04391  -0.03438   2.09308
   R119       2.08408  -0.00596   0.00036  -0.01544  -0.01200   2.07209
   R120       2.86525   0.00136  -0.00010   0.00370   0.00286   2.86811
   R121       2.07742  -0.00244   0.00003  -0.00478  -0.00379   2.07363
   R122       2.07900  -0.00517   0.00031  -0.01328  -0.01031   2.06869
   R123       2.08573  -0.00657   0.00038  -0.01698  -0.01320   2.07253
   R124       2.06148   0.00330  -0.00031   0.00892   0.00683   2.06831
   R125       2.09398  -0.00956   0.00053  -0.02501  -0.01948   2.07450
   R126       5.75661  -0.00162   0.00004  -0.00900  -0.00715   5.74945
    A1        1.98711   0.01658  -0.00056   0.04516   0.03560   2.02271
    A2        2.12873  -0.00895   0.00037  -0.02501  -0.01965   2.10908
    A3        2.16640  -0.00760   0.00018  -0.02000  -0.01584   2.15057
    A4        2.20716  -0.01626   0.00055  -0.04295  -0.03384   2.17332
    A5        1.97119   0.01343  -0.00050   0.04038   0.03179   2.00298
    A6        2.07866   0.00344  -0.00006   0.00670   0.00529   2.08395
    A7        2.05014   0.00361  -0.00011   0.00974   0.00765   2.05780
    A8        2.15749  -0.00648   0.00031  -0.01664  -0.01294   2.14455
    A9        2.06814   0.00297  -0.00022   0.00739   0.00566   2.07380
   A10        2.02174   0.01068  -0.00030   0.02836   0.02232   2.04406
   A11        2.11296   0.00114   0.00010  -0.00153  -0.00120   2.11176
   A12        2.13921  -0.01153   0.00020  -0.02520  -0.01987   2.11934
   A13        2.16016  -0.00703   0.00025  -0.01953  -0.01547   2.14469
   A14        2.13039  -0.00651   0.00022  -0.02256  -0.01779   2.11261
   A15        1.99173   0.01358  -0.00046   0.04229   0.03341   2.02514
   A16        2.11511  -0.00647   0.00014  -0.01522  -0.01207   2.10304
   A17        2.17877  -0.00670   0.00025  -0.02398  -0.01896   2.15980
   A18        1.97930   0.01356  -0.00041   0.04131   0.03264   2.01194
   A19        2.08029   0.00424  -0.00015   0.01180   0.00933   2.08961
   A20        2.14895  -0.01089   0.00028  -0.02910  -0.02302   2.12593
   A21        2.05124   0.00674  -0.00013   0.01773   0.01403   2.06527
   A22        2.16598  -0.01499   0.00061  -0.03822  -0.02989   2.13608
   A23        2.05172  -0.00360   0.00008  -0.00894  -0.00715   2.04457
   A24        2.05771   0.01865  -0.00069   0.04750   0.03731   2.09502
   A25        2.01419   0.00950  -0.00092   0.03124   0.02401   2.03820
   A26        2.24595  -0.00902   0.00104  -0.03182  -0.02449   2.22146
   A27        2.02172  -0.00030  -0.00012   0.00148   0.00110   2.02282
   A28        2.10990  -0.00363   0.00058  -0.01412  -0.01079   2.09911
   A29        2.05650  -0.01290  -0.00061  -0.01835  -0.01529   2.04122
   A30        2.11649   0.01659   0.00003   0.03269   0.02623   2.14271
   A31        2.19987  -0.01391   0.00038  -0.03633  -0.02866   2.17121
   A32        2.04161   0.00641  -0.00009   0.01573   0.01247   2.05408
   A33        2.03933   0.00755  -0.00028   0.02097   0.01648   2.05581
   A34        1.98051   0.01619  -0.00027   0.03964   0.03151   2.01202
   A35        2.20103  -0.01644   0.00093  -0.04639  -0.03622   2.16482
   A36        2.10049   0.00023  -0.00066   0.00671   0.00467   2.10516
   A37        2.15295  -0.01056   0.00026  -0.02828  -0.02234   2.13061
   A38        2.09562   0.00183  -0.00012   0.00401   0.00308   2.09869
   A39        2.03462   0.00873  -0.00015   0.02428   0.01926   2.05388
   A40        2.10327   0.00525  -0.00032   0.01650   0.01286   2.11613
   A41        2.27431  -0.02172   0.00079  -0.07013  -0.05534   2.21897
   A42        1.89731   0.01655  -0.00047   0.05428   0.04299   1.94030
   A43        2.13563  -0.01576  -0.00020  -0.02615  -0.02109   2.11454
   A44        2.08683   0.01402   0.00002   0.02766   0.02215   2.10898
   A45        2.05143   0.00176   0.00020  -0.00150  -0.00103   2.05040
   A46        2.05649   0.00179  -0.00012   0.01050   0.00821   2.06471
   A47        2.18379  -0.00396   0.00035  -0.01821  -0.01415   2.16964
   A48        2.02492   0.00261  -0.00025   0.01011   0.00780   2.03271
   A49        2.11129   0.00715   0.00043   0.01042   0.00873   2.12002
   A50        2.07920   0.00332  -0.00005   0.01039   0.00822   2.08742
   A51        2.09258  -0.01046  -0.00038  -0.02079  -0.01693   2.07565
   A52        2.10704  -0.00984  -0.00001  -0.03054  -0.02448   2.08257
   A53        2.14301  -0.00757   0.00042  -0.01794  -0.01407   2.12895
   A54        2.09476   0.00381  -0.00008   0.00963   0.00758   2.10234
   A55        2.00105   0.00526  -0.00039   0.01702   0.01317   2.01423
   A56        2.10168   0.00059  -0.00040   0.00605   0.00444   2.10612
   A57        1.96264   0.01258  -0.00016   0.03791   0.03017   1.99280
   A58        2.21436  -0.01308   0.00056  -0.04351  -0.03426   2.18010
   A59        2.01276   0.01102  -0.00017   0.02493   0.01978   2.03254
   A60        2.10077   0.00270  -0.00053   0.01226   0.00927   2.11005
   A61        2.16906  -0.01370   0.00070  -0.03703  -0.02893   2.14013
   A62        2.16178  -0.00843   0.00038  -0.02466  -0.01940   2.14239
   A63        2.11435  -0.00751   0.00030  -0.02636  -0.02079   2.09356
   A64        2.00659   0.01600  -0.00068   0.05136   0.04042   2.04701
   A65        2.20634  -0.00180   0.00041  -0.00827  -0.00621   2.20013
   A66        2.20968  -0.00428   0.00043  -0.01384  -0.01066   2.19903
   A67        1.86493   0.00613  -0.00084   0.02237   0.01707   1.88200
   A68        2.18342  -0.00357   0.00019  -0.00980  -0.00766   2.17576
   A69        2.21782   0.00018   0.00004   0.00024   0.00022   2.21804
   A70        1.88171   0.00338  -0.00022   0.00952   0.00741   1.88912
   A71        2.17502   0.00058  -0.00022   0.00391   0.00292   2.17794
   A72        2.21923  -0.00186   0.00023  -0.00591  -0.00448   2.21475
   A73        1.88862   0.00126  -0.00001   0.00194   0.00152   1.89013
   A74        1.89037   0.00084   0.00009  -0.00065  -0.00046   1.88991
   A75        2.35131  -0.01645   0.00042  -0.03983  -0.03148   2.31983
   A76        2.03572   0.01566  -0.00051   0.04083   0.03223   2.06794
   A77        1.87266   0.00026  -0.00030   0.00305   0.00212   1.87478
   A78        2.13659  -0.00751   0.00061  -0.02402  -0.01860   2.11799
   A79        2.27330   0.00723  -0.00031   0.02092   0.01644   2.28974
   A80        1.85942   0.00141   0.00002   0.00406   0.00329   1.86271
   A81        2.30436   0.00218  -0.00022   0.00646   0.00497   2.30933
   A82        2.11187  -0.00336   0.00019  -0.00934  -0.00737   2.10451
   A83        1.92042  -0.00587   0.00041  -0.01586  -0.01228   1.90814
   A84        2.29687  -0.00513  -0.00009  -0.01188  -0.00960   2.28726
   A85        2.06360   0.01095  -0.00031   0.02749   0.02169   2.08529
   A86        1.92471  -0.00542   0.00095  -0.02141  -0.01618   1.90853
   A87        2.29516  -0.00492  -0.00029  -0.00876  -0.00732   2.28784
   A88        2.05612   0.01047  -0.00066   0.03101   0.02415   2.08026
   A89        1.86186   0.00103  -0.00036   0.00635   0.00470   1.86656
   A90        2.14236  -0.00829   0.00069  -0.02546  -0.01967   2.12269
   A91        2.27449   0.00742  -0.00034   0.01992   0.01560   2.29009
   A92        1.85571   0.00331  -0.00016   0.00887   0.00693   1.86264
   A93        2.32231  -0.00054  -0.00011   0.00075   0.00050   2.32280
   A94        2.10351  -0.00276   0.00027  -0.00959  -0.00740   2.09611
   A95        1.91627  -0.00499   0.00042  -0.01588  -0.01229   1.90398
   A96        2.29110  -0.00517  -0.00018  -0.00889  -0.00730   2.28380
   A97        2.06608   0.01029  -0.00024   0.02545   0.02012   2.08620
   A98        1.91010  -0.00358   0.00028  -0.01002  -0.00771   1.90239
   A99        2.29968  -0.00669  -0.00011  -0.01354  -0.01095   2.28873
   A100       2.05374   0.01062  -0.00018   0.02542   0.02009   2.07383
   A101       1.85792   0.00321  -0.00027   0.01042   0.00807   1.86599
   A102       2.14989  -0.01075   0.00068  -0.03176  -0.02480   2.12509
   A103       2.27476   0.00760  -0.00041   0.02165   0.01695   2.29171
   A104       1.88267  -0.00296   0.00011  -0.00769  -0.00606   1.87662
   A105       2.31202   0.00001   0.00007  -0.00043  -0.00029   2.31173
   A106       2.08579   0.00298  -0.00018   0.00834   0.00652   2.09231
   A107       1.88479   0.00208  -0.00011   0.00545   0.00425   1.88905
   A108       2.33558  -0.01129   0.00039  -0.02845  -0.02239   2.31319
   A109       2.05887   0.00925  -0.00028   0.02332   0.01840   2.07727
   A110       2.06242   0.00268  -0.00021   0.00918   0.00704   2.06946
   A111       2.12477  -0.00357   0.00019  -0.01179  -0.00920   2.11557
   A112       2.09464   0.00095   0.00002   0.00296   0.00242   2.09706
   A113       2.14621  -0.00918   0.00052  -0.02732  -0.02135   2.12486
   A114       2.07525   0.00329  -0.00023   0.00980   0.00761   2.08286
   A115       2.05972   0.00599  -0.00029   0.01806   0.01415   2.07387
   A116       2.04165   0.01569  -0.00082   0.04666   0.03658   2.07823
   A117       2.11793  -0.00620   0.00039  -0.01838  -0.01435   2.10358
   A118       2.12360  -0.00949   0.00043  -0.02828  -0.02223   2.10137
   A119       2.13480  -0.01651   0.00064  -0.04520  -0.03548   2.09932
   A120       2.15094  -0.00015   0.00002  -0.00395  -0.00324   2.14769
   A121       1.97114   0.01753  -0.00068   0.05458   0.04292   2.01406
   A122       2.11799  -0.01231   0.00028  -0.03196  -0.02525   2.09274
   A123       2.08960   0.00688  -0.00025   0.01932   0.01518   2.10478
   A124       2.07443   0.00544  -0.00003   0.01273   0.01014   2.08456
   A125       2.10235   0.00284  -0.00012   0.00975   0.00764   2.11000
   A126       2.00922   0.00656  -0.00025   0.02134   0.01684   2.02605
   A127       2.17154  -0.00939   0.00037  -0.03104  -0.02444   2.14710
   A128       2.09379   0.00094  -0.00005   0.00389   0.00296   2.09676
   A129       2.05110   0.00504  -0.00013   0.01576   0.01250   2.06359
   A130       2.13492  -0.00574   0.00017  -0.01840  -0.01454   2.12038
   A131       2.07333   0.00070  -0.00022   0.00329   0.00234   2.07568
   A132       2.14871  -0.00624   0.00031  -0.02069  -0.01621   2.13250
   A133       2.06098   0.00555  -0.00009   0.01744   0.01390   2.07488
   A134       2.10433  -0.00422  -0.00008  -0.00939  -0.00763   2.09670
   A135       2.13161  -0.00381   0.00023  -0.01415  -0.01110   2.12052
   A136       2.04197   0.00826  -0.00016   0.02483   0.01971   2.06167
   A137       2.06438   0.00651  -0.00033   0.02000   0.01565   2.08003
   A138       2.05366   0.00295  -0.00004   0.01005   0.00800   2.06166
   A139       2.16461  -0.00942   0.00036  -0.02980  -0.02348   2.14113
   A140       2.13043  -0.00311   0.00017  -0.00801  -0.00625   2.12419
   A141       2.07438   0.00338  -0.00012   0.00988   0.00776   2.08214
   A142       2.07362  -0.00003  -0.00006  -0.00059  -0.00055   2.07307
   A143       2.09116  -0.00645   0.00020  -0.01697  -0.01338   2.07778
   A144       2.11024   0.00239  -0.00011   0.00670   0.00521   2.11545
   A145       2.07073   0.00447  -0.00010   0.01257   0.00993   2.08067
   A146       2.07504  -0.00534   0.00027  -0.01460  -0.01145   2.06359
   A147       2.21769  -0.00959   0.00022  -0.03161  -0.02506   2.19263
   A148       1.99042   0.01492  -0.00049   0.04618   0.03647   2.02689
   A149       2.13228  -0.00134   0.00018  -0.00454  -0.00351   2.12877
   A150       2.16411  -0.01120   0.00044  -0.03734  -0.02941   2.13471
   A151       1.98548   0.01258  -0.00062   0.04212   0.03310   2.01857
   A152       2.07753   0.00366  -0.00040   0.01273   0.00974   2.08727
   A153       2.10749  -0.00314   0.00024  -0.01053  -0.00816   2.09932
   A154       2.09790  -0.00051   0.00016  -0.00217  -0.00155   2.09635
   A155       2.06347   0.00156  -0.00011   0.00460   0.00357   2.06704
   A156       2.08237   0.00109   0.00006   0.00293   0.00241   2.08477
   A157       2.13735  -0.00265   0.00004  -0.00754  -0.00600   2.13135
   A158       2.12628  -0.00956   0.00052  -0.02763  -0.02158   2.10470
   A159       2.13664  -0.00337   0.00008  -0.01301  -0.01035   2.12629
   A160       2.01237   0.01312  -0.00061   0.04181   0.03285   2.04522
   A161       2.06787   0.00453  -0.00015   0.01406   0.01106   2.07893
   A162       2.16695  -0.00985   0.00039  -0.03190  -0.02517   2.14179
   A163       2.04071   0.00572  -0.00026   0.01990   0.01566   2.05637
   A164       2.10738   0.00254  -0.00020   0.00918   0.00710   2.11449
   A165       2.12120  -0.00387   0.00011  -0.01211  -0.00957   2.11163
   A166       2.05126   0.00146   0.00008   0.00362   0.00299   2.05425
   A167       2.11016  -0.00949   0.00028  -0.02592  -0.02046   2.08970
   A168       2.13989   0.00018  -0.00003  -0.00124  -0.00102   2.13887
   A169       2.03187   0.00933  -0.00024   0.02731   0.02160   2.05348
   A170       2.09154  -0.00631   0.00005  -0.01552  -0.01252   2.07902
   A171       2.17157  -0.00469   0.00016  -0.01615  -0.01280   2.15876
   A172       2.00938   0.01169  -0.00023   0.03519   0.02792   2.03730
   A173       2.08032   0.00771  -0.00049   0.02530   0.01971   2.10003
   A174       2.10309  -0.00545   0.00030  -0.01768  -0.01382   2.08927
   A175       2.09785  -0.00220   0.00018  -0.00721  -0.00558   2.09227
   A176       2.15788  -0.01259   0.00062  -0.03503  -0.02746   2.13043
   A177       2.06820   0.00522  -0.00023   0.01372   0.01076   2.07896
   A178       2.05554   0.00750  -0.00040   0.02196   0.01718   2.07271
   A179       1.99561   0.01306  -0.00074   0.04127   0.03222   2.02783
   A180       2.16770  -0.01049   0.00049  -0.03201  -0.02533   2.14237
   A181       2.09241  -0.00110   0.00019  -0.00138  -0.00098   2.09143
   A182       1.99813   0.01093   0.00037   0.03204   0.02666   2.02479
   A183       1.86916   0.00698   0.00083  -0.00329  -0.00455   1.86461
   A184       2.05112  -0.05259   0.00069  -0.15044  -0.12036   1.93076
   A185       1.95032   0.00691  -0.00075   0.04955   0.03808   1.98840
   A186       1.75963   0.02456  -0.00091   0.07773   0.06172   1.82135
   A187       1.82933   0.00331  -0.00051  -0.00209  -0.00550   1.82383
   A188       2.02399   0.05576   0.00046   0.11579   0.09310   2.11708
   A189       2.13586   0.00844  -0.00029   0.02169   0.01706   2.15293
   A190       1.89812  -0.00830   0.00017  -0.01804  -0.01477   1.88335
   A191       1.83968   0.05089   0.00025   0.17846   0.14384   1.98353
   A192       1.95607  -0.02433  -0.00012  -0.08908  -0.07106   1.88501
   A193       1.92058  -0.02080  -0.00032  -0.04979  -0.04109   1.87949
   A194       1.94142   0.01319  -0.00005   0.02271   0.01667   1.95809
   A195       1.90530  -0.00941   0.00007  -0.03776  -0.02920   1.87610
   A196       1.94488  -0.00227   0.00006  -0.00901  -0.00713   1.93775
   A197       1.91080   0.00355  -0.00018   0.01302   0.01020   1.92101
   A198       1.90528   0.00162  -0.00011   0.00662   0.00515   1.91042
   A199       1.91773  -0.00239   0.00012  -0.00981  -0.00771   1.91002
   A200       1.93483  -0.00146   0.00007  -0.00673  -0.00531   1.92952
   A201       1.84772   0.00123   0.00003   0.00708   0.00560   1.85333
   A202       1.84426   0.00253  -0.00011   0.00914   0.00711   1.85137
   A203       1.84097   0.00433  -0.00019   0.02349   0.01841   1.85939
   A204       1.88089   0.00235  -0.00010   0.00767   0.00603   1.88692
   A205       1.89359   0.00380  -0.00010   0.01405   0.01094   1.90453
   A206       2.05382  -0.01019   0.00038  -0.03920  -0.03102   2.02279
   A207       1.93650  -0.00114   0.00004  -0.00762  -0.00618   1.93032
   A208       1.98738  -0.00427   0.00008  -0.01470  -0.01175   1.97563
   A209       1.91187  -0.00100   0.00002  -0.00107  -0.00082   1.91105
   A210       1.95564  -0.00220   0.00010  -0.00793  -0.00631   1.94933
   A211       1.84793   0.00343  -0.00009   0.01173   0.00930   1.85723
   A212       1.91953   0.00083  -0.00001  -0.00091  -0.00086   1.91868
   A213       1.83180   0.00423  -0.00013   0.01666   0.01321   1.84501
   A214       2.07783   0.06903   0.00043   0.14448   0.11601   2.19384
    D1       -0.01673  -0.00007   0.00001  -0.00055  -0.00045  -0.01718
    D2        2.87662   0.00383  -0.00009   0.02130   0.01694   2.89356
    D3        3.08006   0.00048  -0.00002   0.00267   0.00210   3.08216
    D4       -0.30977   0.00438  -0.00012   0.02452   0.01949  -0.29028
    D5        0.13118  -0.00287   0.00007  -0.01366  -0.01077   0.12040
    D6        3.11102   0.00145  -0.00006   0.00692   0.00537   3.11639
    D7       -2.96450  -0.00341   0.00010  -0.01686  -0.01333  -2.97783
    D8        0.01534   0.00091  -0.00003   0.00371   0.00281   0.01815
    D9        2.65832  -0.00332   0.00016  -0.01693  -0.01334   2.64498
   D10       -0.56449  -0.00214   0.00008  -0.01121  -0.00887  -0.57336
   D11       -0.53277  -0.00210   0.00011  -0.01171  -0.00927  -0.54204
   D12        2.52760  -0.00092   0.00003  -0.00599  -0.00480   2.52280
   D13       -0.16591   0.00397  -0.00015   0.02053   0.01621  -0.14970
   D14        3.10847   0.00281  -0.00003   0.01548   0.01226   3.12073
   D15       -3.04557  -0.00117   0.00001  -0.00617  -0.00492  -3.05049
   D16        0.22881  -0.00233   0.00013  -0.01122  -0.00887   0.21994
   D17        0.22574  -0.00355   0.00011  -0.02122  -0.01705   0.20870
   D18       -3.05820  -0.00229   0.00006  -0.01079  -0.00861  -3.06681
   D19       -3.04164  -0.00319   0.00004  -0.01834  -0.01473  -3.05637
   D20       -0.04239  -0.00193  -0.00001  -0.00792  -0.00630  -0.04869
   D21        3.00799   0.00189  -0.00007   0.01057   0.00838   3.01636
   D22       -0.05252   0.00004   0.00001   0.00319   0.00259  -0.04993
   D23        0.00046   0.00068   0.00004   0.00533   0.00427   0.00473
   D24       -3.06004  -0.00117   0.00013  -0.00205  -0.00152  -3.06156
   D25       -0.12456   0.00276  -0.00009   0.01320   0.01033  -0.11424
   D26        3.06544   0.00141  -0.00005   0.00680   0.00533   3.07078
   D27       -3.12146   0.00031  -0.00003   0.00039   0.00016  -3.12130
   D28        0.06855  -0.00104   0.00001  -0.00600  -0.00483   0.06372
   D29       -0.03543  -0.00054  -0.00002  -0.00460  -0.00364  -0.03906
   D30        3.13199  -0.00307  -0.00001  -0.01473  -0.01172   3.12027
   D31        2.95407   0.00272  -0.00011   0.01112   0.00873   2.96280
   D32       -0.16170   0.00020  -0.00011   0.00099   0.00065  -0.16105
   D33       -0.06157   0.00157  -0.00006   0.00803   0.00636  -0.05521
   D34       -3.05862  -0.00074   0.00001  -0.00529  -0.00436  -3.06298
   D35        3.03507   0.00237  -0.00008   0.01248   0.00991   3.04498
   D36        0.03802   0.00005  -0.00001  -0.00084  -0.00081   0.03721
   D37        0.12781   0.00146   0.00001   0.00642   0.00503   0.13284
   D38       -2.87695  -0.00049   0.00008  -0.00035  -0.00028  -2.87723
   D39       -3.09035   0.00239  -0.00005   0.01122   0.00890  -3.08145
   D40        0.18807   0.00043   0.00001   0.00445   0.00359   0.19167
   D41        3.04273  -0.00078  -0.00005  -0.00490  -0.00394   3.03879
   D42       -0.17549   0.00047  -0.00006   0.00220   0.00169  -0.17379
   D43       -0.01904  -0.00251   0.00004  -0.01196  -0.00948  -0.02852
   D44        3.04593  -0.00126   0.00003  -0.00486  -0.00385   3.04209
   D45       -0.19810  -0.00440   0.00007  -0.02093  -0.01671  -0.21481
   D46        2.88542  -0.00027  -0.00001  -0.00086  -0.00072   2.88470
   D47        2.80622  -0.00406   0.00006  -0.01825  -0.01466   2.79156
   D48       -0.39344   0.00006  -0.00002   0.00182   0.00134  -0.39210
   D49       -0.18008   0.00055  -0.00002   0.00089   0.00076  -0.17932
   D50        2.80683   0.00292  -0.00008   0.01219   0.00951   2.81634
   D51        3.08967   0.00131  -0.00006   0.00112   0.00088   3.09055
   D52       -0.20661   0.00367  -0.00012   0.01242   0.00963  -0.19698
   D53        0.14862   0.00479  -0.00007   0.02164   0.01741   0.16603
   D54       -3.01969   0.00695  -0.00008   0.03133   0.02532  -2.99437
   D55       -2.94261   0.00157  -0.00005   0.00556   0.00426  -2.93835
   D56        0.17226   0.00373  -0.00006   0.01525   0.01218   0.18443
   D57        2.98947  -0.00474   0.00015  -0.02630  -0.02064   2.96883
   D58       -0.30185  -0.00437   0.00028  -0.02616  -0.02046  -0.32231
   D59       -0.21040  -0.00032   0.00005  -0.00534  -0.00412  -0.21452
   D60        2.78146   0.00005   0.00018  -0.00519  -0.00394   2.77752
   D61        3.06784   0.00062   0.00005  -0.00031  -0.00001   3.06783
   D62       -0.04782  -0.00160   0.00005  -0.00974  -0.00772  -0.05554
   D63       -0.15391   0.00103  -0.00003   0.00718   0.00569  -0.14822
   D64        3.03959   0.00141  -0.00001   0.00767   0.00608   3.04567
   D65        3.06422  -0.00017  -0.00003   0.00028   0.00021   3.06443
   D66       -0.02547   0.00021  -0.00001   0.00078   0.00061  -0.02487
   D67        0.16392   0.00015  -0.00001  -0.00073  -0.00067   0.16325
   D68       -2.97986   0.00124  -0.00007   0.00288   0.00212  -2.97774
   D69       -3.02626  -0.00080   0.00003  -0.00303  -0.00244  -3.02871
   D70        0.11314   0.00030  -0.00003   0.00058   0.00036   0.11350
   D71       -2.53163   0.00061  -0.00013   0.00467   0.00365  -2.52797
   D72        0.58400   0.00045  -0.00009   0.00262   0.00203   0.58603
   D73        0.66514   0.00063  -0.00012   0.00447   0.00343   0.66857
   D74       -2.50242   0.00047  -0.00009   0.00242   0.00180  -2.50061
   D75       -0.00278   0.00062  -0.00001   0.00080   0.00064  -0.00214
   D76       -3.02002   0.00173  -0.00006   0.00148   0.00092  -3.01910
   D77        3.14092  -0.00043   0.00006  -0.00267  -0.00207   3.13885
   D78        0.12369   0.00068   0.00000  -0.00200  -0.00179   0.12190
   D79        0.12663   0.00013   0.00001  -0.00042  -0.00027   0.12636
   D80       -2.80364  -0.00284   0.00017  -0.01583  -0.01244  -2.81608
   D81       -2.86811  -0.00127  -0.00011  -0.00300  -0.00242  -2.87053
   D82        0.48480  -0.00424   0.00006  -0.01841  -0.01459   0.47021
   D83       -0.39942   0.01006   0.00006   0.03843   0.03103  -0.36838
   D84       -2.57180  -0.01171   0.00012  -0.04521  -0.03503  -2.60683
   D85        1.66050   0.01131  -0.00034   0.05293   0.04080   1.70130
   D86        2.59960   0.00884   0.00015   0.03630   0.02939   2.62899
   D87        0.42721  -0.01293   0.00021  -0.04733  -0.03667   0.39054
   D88       -1.62367   0.01010  -0.00024   0.05080   0.03916  -1.58451
   D89        0.01017   0.00021  -0.00002   0.00325   0.00252   0.01269
   D90       -3.11523   0.00009   0.00002   0.00161   0.00122  -3.11401
   D91        2.95967   0.00211  -0.00010   0.01377   0.01104   2.97071
   D92       -0.16573   0.00200  -0.00006   0.01214   0.00974  -0.15599
   D93       -3.03176  -0.00352   0.00011  -0.01843  -0.01461  -3.04637
   D94       -0.22277   0.00297  -0.00012   0.01656   0.01313  -0.20964
   D95        0.31775  -0.00637   0.00026  -0.03371  -0.02669   0.29106
   D96        3.12673   0.00012   0.00003   0.00127   0.00105   3.12779
   D97       -0.04555  -0.00033  -0.00003   0.00080   0.00057  -0.04499
   D98        3.07973  -0.00009  -0.00006   0.00273   0.00208   3.08181
   D99       -0.06884   0.00248  -0.00006   0.01213   0.00961  -0.05924
   D100       3.10695  -0.00008   0.00003  -0.00119  -0.00083   3.10612
   D101       3.08876   0.00220  -0.00003   0.01022   0.00811   3.09687
   D102      -0.01864  -0.00035   0.00005  -0.00310  -0.00232  -0.02096
   D103      -0.23393   0.00515  -0.00018   0.02723   0.02158  -0.21235
   D104       2.81252   0.00537  -0.00016   0.02941   0.02345   2.83597
   D105      -3.05923  -0.00093  -0.00000  -0.00518  -0.00420  -3.06342
   D106      -0.01277  -0.00071   0.00002  -0.00300  -0.00233  -0.01510
   D107      -0.01072  -0.00002  -0.00000  -0.00073  -0.00058  -0.01129
   D108      -3.11690  -0.00050   0.00003  -0.00480  -0.00386  -3.12077
   D109      -3.04234  -0.00193   0.00003  -0.00859  -0.00675  -3.04909
   D110       0.13466  -0.00242   0.00006  -0.01266  -0.01004   0.12462
   D111       0.15744  -0.00301   0.00013  -0.01772  -0.01407   0.14337
   D112      -3.01644  -0.00099   0.00007  -0.00643  -0.00496  -3.02139
   D113      -3.02112  -0.00210   0.00006  -0.01228  -0.00983  -3.03095
   D114       0.08819  -0.00007  -0.00000  -0.00099  -0.00071   0.08748
   D115      -2.71368   0.00410  -0.00023   0.02281   0.01801  -2.69567
   D116       0.45818   0.00471  -0.00024   0.02547   0.02009   0.47828
   D117       0.46665   0.00300  -0.00016   0.01693   0.01342   0.48007
   D118      -2.64468   0.00361  -0.00018   0.01959   0.01550  -2.62918
   D119       3.12225  -0.00035   0.00004  -0.00191  -0.00147   3.12079
   D120      -0.15397   0.00173  -0.00004   0.00810   0.00642  -0.14755
   D121       0.04876  -0.00099   0.00007  -0.00554  -0.00436   0.04440
   D122       3.05572   0.00109  -0.00002   0.00447   0.00353   3.05926
   D123      -3.10603  -0.00022   0.00001  -0.00099  -0.00077  -3.10680
   D124      -0.12005   0.00169  -0.00003   0.00661   0.00523  -0.11481
   D125      -0.03271   0.00055  -0.00002   0.00293   0.00234  -0.03037
   D126       2.95328   0.00245  -0.00006   0.01054   0.00835   2.96162
   D127       3.10346   0.00036  -0.00001   0.00210   0.00168   3.10514
   D128       0.08575  -0.00159   0.00003  -0.00538  -0.00425   0.08151
   D129      -0.01638   0.00052  -0.00004   0.00387   0.00309  -0.01328
   D130      -3.03408  -0.00144   0.00000  -0.00361  -0.00283  -3.03691
   D131      -3.09951  -0.00084   0.00002  -0.00380  -0.00298  -3.10250
   D132       0.11790  -0.00050  -0.00001  -0.00097  -0.00082   0.11708
   D133       0.01977  -0.00105   0.00006  -0.00578  -0.00457   0.01520
   D134      -3.04601  -0.00072   0.00002  -0.00295  -0.00240  -3.04841
   D135      -3.10404  -0.00013  -0.00001  -0.00048  -0.00038  -3.10442
   D136       0.25995  -0.00356   0.00007  -0.01420  -0.01111   0.24883
   D137       0.01215  -0.00069   0.00001  -0.00284  -0.00223   0.00992
   D138      -2.90704  -0.00412   0.00008  -0.01656  -0.01297  -2.92001
   D139       3.08597  -0.00009  -0.00000   0.00074   0.00066   3.08664
   D140       0.04516  -0.00144   0.00003  -0.00531  -0.00413   0.04102
   D141      -0.02940   0.00044  -0.00001   0.00299   0.00243  -0.02697
   D142      -3.07022  -0.00091   0.00002  -0.00306  -0.00237  -3.07259
   D143       0.00712   0.00010   0.00001  -0.00082  -0.00066   0.00646
   D144      -3.09972   0.00029  -0.00000   0.00004  -0.00003  -3.09974
   D145       3.05032  -0.00073   0.00004  -0.00080  -0.00049   3.04983
   D146      -0.05651  -0.00054   0.00003   0.00006   0.00014  -0.05637
   D147       3.09213   0.00054  -0.00001   0.00069   0.00050   3.09263
   D148       0.00318  -0.00004   0.00000  -0.00172  -0.00142   0.00176
   D149       0.08216  -0.00053  -0.00000  -0.00452  -0.00364   0.07852
   D150      -3.00679  -0.00112   0.00001  -0.00693  -0.00556  -3.01234
   D151       0.00476  -0.00069   0.00003  -0.00255  -0.00202   0.00274
   D152       3.01168   0.00116  -0.00005   0.00710   0.00561   3.01730
   D153       3.10790  -0.00132   0.00006  -0.00477  -0.00374   3.10416
   D154      -0.16836   0.00053  -0.00002   0.00488   0.00389  -0.16447
   D155       0.05767  -0.00120   0.00003  -0.00710  -0.00564   0.05203
   D156      -3.06419  -0.00187   0.00006  -0.00970  -0.00767  -3.07187
   D157      -3.04043  -0.00070   0.00001  -0.00530  -0.00425  -3.04468
   D158       0.12089  -0.00137   0.00004  -0.00790  -0.00628   0.11461
   D159      -0.01515   0.00112  -0.00006   0.00527   0.00414  -0.01101
   D160       3.06211   0.00017  -0.00002   0.00124   0.00094   3.06305
   D161      -3.04013  -0.00094   0.00004  -0.00441  -0.00344  -3.04356
   D162       0.03713  -0.00190   0.00008  -0.00844  -0.00664   0.03049
   D163      -3.05185  -0.00055   0.00002  -0.00250  -0.00193  -3.05379
   D164       0.14549  -0.00185   0.00007  -0.00970  -0.00769   0.13780
   D165      -0.06099   0.00190  -0.00008   0.00935   0.00739  -0.05360
   D166       3.13635   0.00059  -0.00003   0.00215   0.00164   3.13799
   D167       3.11350  -0.00205   0.00011  -0.01003  -0.00780   3.10570
   D168      -0.28990   0.00467  -0.00014   0.02420   0.01916  -0.27074
   D169       0.05277  -0.00104   0.00005  -0.00534  -0.00412   0.04865
   D170       2.93256   0.00567  -0.00020   0.02888   0.02284   2.95540
   D171      -0.04547   0.00112  -0.00009   0.00605   0.00473  -0.04074
   D172      -3.09512  -0.00102   0.00001  -0.00374  -0.00291  -3.09803
   D173      -3.07317   0.00049  -0.00002   0.00035   0.00019  -3.07298
   D174       0.16036  -0.00165   0.00007  -0.00943  -0.00745   0.15291
   D175       3.07732   0.00216  -0.00011   0.01066   0.00835   3.08567
   D176      -0.07485   0.00119  -0.00005   0.00566   0.00450  -0.07035
   D177      -0.20710   0.00329  -0.00010   0.01780   0.01414  -0.19296
   D178       2.92391   0.00232  -0.00003   0.01279   0.01029   2.93421
   D179       0.02411  -0.00053   0.00004  -0.00327  -0.00261   0.02150
   D180      -3.05380  -0.00052   0.00003  -0.00358  -0.00285  -3.05665
   D181       3.06425   0.00065   0.00001   0.00414   0.00338   3.06763
   D182      -0.01366   0.00066  -0.00000   0.00383   0.00314  -0.01052
   D183      -0.00260  -0.00069  -0.00000  -0.00480  -0.00390  -0.00650
   D184       3.14092   0.00051  -0.00003   0.00191   0.00149  -3.14078
   D185      -3.02859  -0.00269   0.00010  -0.01538  -0.01223  -3.04081
   D186       0.11494  -0.00149   0.00007  -0.00866  -0.00684   0.10810
   D187       0.00529  -0.00005  -0.00000   0.00004   0.00005   0.00533
   D188      -3.00352  -0.00032   0.00003  -0.00355  -0.00280  -3.00632
   D189       3.09287   0.00000  -0.00001   0.00065   0.00051   3.09339
   D190       0.08406  -0.00027   0.00003  -0.00294  -0.00233   0.08173
   D191       2.95245   0.00291  -0.00010   0.01569   0.01243   2.96488
   D192      -0.07561  -0.00007  -0.00000   0.00023   0.00025  -0.07536
   D193      -0.11818   0.00274  -0.00009   0.01476   0.01170  -0.10648
   D194       3.13695  -0.00024   0.00001  -0.00070  -0.00048   3.13647
   D195      -2.96471  -0.00269   0.00006  -0.01457  -0.01162  -2.97633
   D196       0.01552   0.00070  -0.00004   0.00324   0.00253   0.01805
   D197       0.01038  -0.00188   0.00007  -0.00969  -0.00770   0.00267
   D198       2.99060   0.00150  -0.00003   0.00811   0.00644   2.99704
   D199       0.00975   0.00056   0.00001   0.00132   0.00098   0.01073
   D200       3.11719   0.00248  -0.00008   0.01048   0.00811   3.12531
   D201       2.96448   0.00124  -0.00006   0.00798   0.00624   2.97072
   D202      -0.21126   0.00316  -0.00015   0.01714   0.01338  -0.19788
   D203       2.91001   0.00583  -0.00019   0.02772   0.02170   2.93171
   D204      -0.06704  -0.00049   0.00002  -0.00238  -0.00176  -0.06879
   D205       0.00548   0.00382  -0.00016   0.01714   0.01335   0.01883
   D206      -2.97156  -0.00250   0.00005  -0.01296  -0.01011  -2.98167
   D207      -0.02761  -0.00024  -0.00001   0.00061   0.00058  -0.02703
   D208      -3.08746  -0.00083   0.00002  -0.00298  -0.00229  -3.08976
   D209      -3.13171  -0.00185   0.00005  -0.00797  -0.00634  -3.13805
   D210       0.09163  -0.00244   0.00009  -0.01157  -0.00921   0.08241
   D211       0.31137  -0.00681   0.00024  -0.03803  -0.03037   0.28100
   D212      -3.08126  -0.00008   0.00001  -0.00186  -0.00170  -3.08295
   D213      -2.87320  -0.00463   0.00014  -0.02716  -0.02181  -2.89500
   D214       0.01737   0.00210  -0.00009   0.00901   0.00687   0.02423
   D215       0.03542  -0.00021   0.00002  -0.00244  -0.00201   0.03340
   D216       3.09473  -0.00040   0.00003  -0.00077  -0.00057   3.09416
   D217       3.10775   0.00018  -0.00000   0.00026   0.00015   3.10790
   D218      -0.11612  -0.00002   0.00001   0.00192   0.00159  -0.11453
   D219       3.05991   0.00149  -0.00007   0.00852   0.00675   3.06666
   D220      -0.22270   0.00426  -0.00015   0.02221   0.01755  -0.20515
   D221       0.00773   0.00108  -0.00004   0.00523   0.00409   0.01182
   D222       3.00830   0.00385  -0.00012   0.01892   0.01490   3.02320
   D223      -3.12651   0.00003   0.00000  -0.00038  -0.00031  -3.12681
   D224       0.07084  -0.00078   0.00002  -0.00449  -0.00358   0.06726
   D225       0.12363  -0.00096   0.00003  -0.00574  -0.00458   0.11905
   D226      -2.96220  -0.00177   0.00004  -0.00986  -0.00786  -2.97006
   D227      -0.00270   0.00056  -0.00002   0.00193   0.00142  -0.00128
   D228      -3.07489  -0.00133   0.00004  -0.00824  -0.00665  -3.08154
   D229       3.08413   0.00169  -0.00006   0.00850   0.00672   3.09086
   D230       0.01195  -0.00020   0.00000  -0.00166  -0.00135   0.01060
   D231       0.08699  -0.00160   0.00005  -0.00984  -0.00793   0.07905
   D232      -3.05378  -0.00166   0.00005  -0.00981  -0.00787  -3.06165
   D233      -3.12343   0.00019  -0.00001  -0.00005  -0.00014  -3.12356
   D234       0.01899   0.00013  -0.00001  -0.00002  -0.00007   0.01892
   D235      -0.11198   0.00225  -0.00007   0.01254   0.00998  -0.10200
   D236      -3.01629  -0.00200   0.00008  -0.01214  -0.00969  -3.02597
   D237       3.02879   0.00231  -0.00008   0.01252   0.00992   3.03871
   D238       0.12448  -0.00194   0.00007  -0.01216  -0.00975   0.11473
   D239      -0.11127   0.00307  -0.00010   0.01538   0.01218  -0.09908
   D240       3.04298   0.00218  -0.00006   0.01114   0.00880   3.05177
   D241       2.97813   0.00370  -0.00012   0.01798   0.01424   2.99237
   D242      -0.15081   0.00281  -0.00008   0.01373   0.01086  -0.13996
   D243       0.10972  -0.00353   0.00013  -0.01899  -0.01511   0.09462
   D244      -3.11804  -0.00085   0.00003  -0.00400  -0.00309  -3.12113
   D245      -3.04576  -0.00242   0.00008  -0.01389  -0.01114  -3.05690
   D246       0.00967   0.00026  -0.00001   0.00109   0.00087   0.01054
   D247      -0.08241   0.00298  -0.00010   0.01575   0.01246  -0.06996
   D248       3.04045   0.00348  -0.00012   0.01779   0.01408   3.05453
   D249      -3.13357  -0.00040   0.00002  -0.00178  -0.00137  -3.13493
   D250      -0.01071   0.00010   0.00000   0.00026   0.00026  -0.01045
   D251       0.05539  -0.00206   0.00006  -0.01130  -0.00901   0.04638
   D252      -3.12026  -0.00073   0.00002  -0.00403  -0.00319  -3.12344
   D253       3.08911   0.00006  -0.00000   0.00104   0.00088   3.08999
   D254      -0.08654   0.00139  -0.00005   0.00832   0.00670  -0.07984
   D255       0.04083  -0.00024   0.00000  -0.00140  -0.00115   0.03968
   D256       3.07657   0.00243  -0.00008   0.01287   0.01018   3.08676
   D257      -3.06437  -0.00195   0.00006  -0.01010  -0.00796  -3.07233
   D258      -0.02863   0.00072  -0.00003   0.00418   0.00337  -0.02526
   D259      -0.07351   0.00238  -0.00008   0.01251   0.00990  -0.06361
   D260      -3.05737  -0.00077   0.00002  -0.00444  -0.00358  -3.06096
   D261      -3.10930  -0.00048   0.00001  -0.00237  -0.00187  -3.11116
   D262       0.19002  -0.00363   0.00011  -0.01932  -0.01535   0.17468
   D263       0.10572  -0.00274   0.00010  -0.01357  -0.01070   0.09501
   D264      -3.09446  -0.00133   0.00005  -0.00698  -0.00555  -3.10001
   D265      -3.02663  -0.00177   0.00005  -0.00879  -0.00689  -3.03352
   D266       0.05638  -0.00036  -0.00000  -0.00219  -0.00173   0.05465
   D267       0.05458  -0.00105   0.00004  -0.00479  -0.00371   0.05087
   D268      -3.06221  -0.00123   0.00004  -0.00630  -0.00494  -3.06715
   D269      -3.03395  -0.00164   0.00005  -0.00844  -0.00669  -3.04063
   D270       0.13245  -0.00181   0.00005  -0.00995  -0.00791   0.12454
   D271      -0.10480   0.00262  -0.00007   0.01318   0.01047  -0.09433
   D272       3.03479   0.00138  -0.00004   0.00625   0.00495   3.03974
   D273       3.01213   0.00276  -0.00008   0.01455   0.01160   3.02373
   D274      -0.13146   0.00152  -0.00004   0.00762   0.00607  -0.12539
   D275       0.09418  -0.00243   0.00009  -0.01209  -0.00954   0.08464
   D276       3.09886   0.00165  -0.00004   0.00807   0.00630   3.10515
   D277      -2.91580  -0.00391   0.00012  -0.02114  -0.01681  -2.93261
   D278       0.08888   0.00017  -0.00002  -0.00099  -0.00098   0.08790
   D279      -0.08722   0.00166  -0.00004   0.00862   0.00692  -0.08030
   D280       2.96438   0.00347  -0.00009   0.01806   0.01442   2.97880
   D281      -3.10180  -0.00090   0.00003  -0.00601  -0.00493  -3.10673
   D282      -0.05020   0.00091  -0.00002   0.00343   0.00257  -0.04763
   D283      -0.02293   0.00008   0.00000  -0.00010  -0.00007  -0.02301
   D284       3.06622   0.00060  -0.00000   0.00302   0.00243   3.06865
   D285      -3.07804  -0.00139   0.00005  -0.00836  -0.00669  -3.08473
   D286       0.01111  -0.00087   0.00004  -0.00524  -0.00419   0.00693
   D287       0.07607  -0.00321   0.00011  -0.01656  -0.01299   0.06308
   D288      -3.13205  -0.00207   0.00009  -0.00971  -0.00753  -3.13958
   D289       3.06786   0.00122  -0.00004   0.00663   0.00544   3.07329
   D290      -0.14026   0.00236  -0.00007   0.01348   0.01090  -0.12937
   D291       0.04004  -0.00319   0.00014  -0.01405  -0.01082   0.02922
   D292       3.12020  -0.00036   0.00004  -0.00027  -0.00009   3.12011
   D293      -3.03523  -0.00419   0.00015  -0.02047  -0.01597  -3.05120
   D294       0.04493  -0.00137   0.00005  -0.00669  -0.00524   0.03969
   D295      -0.22374   0.00618  -0.00019   0.03449   0.02756  -0.19618
   D296      -3.12610   0.00136  -0.00003   0.00520   0.00379  -3.12230
   D297       2.97887   0.00344  -0.00010   0.02105   0.01707   2.99594
   D298       0.07651  -0.00138   0.00007  -0.00824  -0.00669   0.06982
   D299       2.15477   0.05274   0.00018   0.21097   0.16941   2.32418
   D300      -0.04645   0.02921  -0.00037   0.13939   0.11114   0.06470
   D301      -1.93720  -0.00361   0.00117   0.03053   0.02513  -1.91207
   D302       1.36018  -0.00787   0.00035  -0.04002  -0.02976   1.33042
   D303      -2.73917  -0.00652   0.00051  -0.02943  -0.02404  -2.76321
   D304      -0.71201   0.01168  -0.00076   0.05404   0.04157  -0.67044
   D305      -2.67098  -0.00521  -0.00007  -0.04186  -0.03357  -2.70455
   D306      -0.61207  -0.00652  -0.00023  -0.01403  -0.00954  -0.62161
   D307       1.45849   0.00029  -0.00005   0.00210  -0.00028   1.45821
   D308      -3.03254  -0.00680   0.00022  -0.02964  -0.02358  -3.05612
   D309      -1.02881   0.00047  -0.00001   0.00042   0.00037  -1.02843
   D310       1.04082   0.00254  -0.00011   0.00746   0.00591   1.04673
   D311      -2.93070   0.02362   0.00011   0.09208   0.07364  -2.85705
   D312      -0.80563   0.02152   0.00017   0.08265   0.06612  -0.73950
   D313       1.20962   0.02585   0.00005   0.10202   0.08156   1.29117
   D314       1.34549  -0.02125  -0.00011  -0.08407  -0.06714   1.27835
   D315      -2.81262  -0.02335  -0.00005  -0.09351  -0.07466  -2.88728
   D316      -0.79738  -0.01902  -0.00016  -0.07414  -0.05923  -0.85661
   D317      -0.76825  -0.00410   0.00004  -0.01794  -0.01439  -0.78264
   D318       1.35682  -0.00620   0.00010  -0.02738  -0.02191   1.33491
   D319      -2.91112  -0.00186  -0.00001  -0.00801  -0.00648  -2.91760
   D320      -0.78916  -0.02834  -0.00033  -0.15855  -0.12697  -0.91613
   D321       1.25458  -0.02037  -0.00015  -0.10615  -0.08557   1.16902
   D322      -2.89336  -0.02346  -0.00037  -0.13451  -0.10767  -3.00103
   D323      -2.70350   0.00062  -0.00003   0.00223   0.00182  -2.70168
   D324      -0.63827   0.00153  -0.00008   0.00693   0.00550  -0.63276
   D325       1.38724   0.00481  -0.00017   0.02208   0.01750   1.40474
   D326       1.61247  -0.00724   0.00028  -0.03528  -0.02793   1.58454
   D327      -2.60548  -0.00633   0.00023  -0.03058  -0.02425  -2.62973
   D328      -0.57997  -0.00305   0.00014  -0.01543  -0.01226  -0.59223
   D329      -0.60335  -0.00082  -0.00000  -0.00555  -0.00443  -0.60778
   D330       1.46188   0.00008  -0.00005  -0.00085  -0.00075   1.46113
   D331      -2.79579   0.00336  -0.00014   0.01429   0.01125  -2.78455
         Item               Value     Threshold  Converged?
 Maximum Force            0.069032     0.000450     NO 
 RMS     Force            0.008824     0.000300     NO 
 Maximum Displacement     2.807513     0.001800     NO 
 RMS     Displacement     0.169259     0.001200     NO 
 Predicted change in Energy=-9.268300D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.615102    3.367044    0.127761
      2          6           0       -2.769850    1.971262    0.007206
      3          6           0       -1.709441    1.052360   -0.013208
      4          6           0       -0.372906    1.570453   -0.093671
      5          6           0       -0.206835    2.955420    0.113705
      6          6           0       -1.280789    3.834040    0.255186
      7          6           0       -1.913042   -0.393998   -0.114553
      8          6           0       -0.778240   -1.264885   -0.285804
      9          6           0        0.583490   -0.787525   -0.203023
     10          6           0        0.776773    0.673712   -0.212898
     11          6           0       -3.195316   -0.959632   -0.139017
     12          6           0       -3.457645   -2.324345   -0.353132
     13          6           0       -2.333093   -3.106041   -0.738511
     14          6           0       -1.042011   -2.603424   -0.707399
     15          7           0        1.730421   -1.547388   -0.068895
     16          6           0        3.003515   -0.971436   -0.206221
     17          6           0        3.094865    0.456496   -0.333050
     18          7           0        1.985094    1.244732   -0.307369
     19          6           0        4.178673   -1.698711   -0.457691
     20          6           0        5.435399   -1.090430   -0.474851
     21          6           0        5.556310    0.337902   -0.493123
     22          6           0        4.362279    1.063600   -0.506766
     23          7           0       -3.725325    4.221015    0.068592
     24          7           0       -4.736495   -2.903108   -0.266644
     25          7           0        6.828798    0.959931   -0.535895
     26          6           0       -5.000197   -4.210666    0.222056
     27          6           0       -6.416149   -4.421007    0.200813
     28          6           0       -7.031412   -3.204181   -0.326228
     29          6           0       -5.972336   -2.300253   -0.609871
     30          6           0       -3.840455    5.483756    0.699878
     31          6           0       -5.102086    6.055882    0.382058
     32          6           0       -5.776181    5.124833   -0.533548
     33          6           0       -4.900048    4.012669   -0.706314
     34          6           0        7.109333    2.269228   -0.053068
     35          6           0        8.479708    2.574604   -0.307891
     36          6           0        9.053158    1.418216   -0.982362
     37          6           0        8.021857    0.423054   -1.087168
     38          6           0       -8.361081   -2.890236   -0.688304
     39          6           0       -8.618654   -1.649222   -1.269546
     40          6           0       -7.586601   -0.705431   -1.501056
     41          6           0       -6.260638   -1.064874   -1.224855
     42          6           0       -4.183616   -5.200998    0.796401
     43          6           0       -4.752116   -6.402611    1.245504
     44          6           0       -6.147034   -6.588582    1.239650
     45          6           0       -6.985196   -5.614251    0.676893
     46          6           0       -6.982008    5.185140   -1.241742
     47          6           0       -7.274702    4.221100   -2.216006
     48          6           0       -6.369774    3.166341   -2.430329
     49          6           0       -5.208777    3.027915   -1.665289
     50          6           0       -3.006090    6.132598    1.637802
     51          6           0       -3.344956    7.423832    2.039694
     52          6           0       -4.552933    8.049867    1.623188
     53          6           0       -5.465715    7.336708    0.834291
     54          6           0       10.353398    1.126152   -1.420816
     55          6           0       10.653442   -0.118904   -1.971977
     56          6           0        9.604834   -1.052748   -2.180495
     57          6           0        8.301922   -0.782310   -1.757153
     58          6           0        6.362907    3.132235    0.778531
     59          6           0        6.982813    4.273868    1.309768
     60          6           0        8.308124    4.593530    0.955240
     61          6           0        9.041823    3.820448    0.046446
     62          8           0        0.431175   -3.601674    1.264640
     63         15           0        1.647767   -3.233161    0.505091
     64          8           0        3.034934   -3.528733    1.298536
     65          8           0        1.668844   -4.295549   -0.784217
     66          6           0        3.037378   -4.177176    2.599330
     67          6           0        4.303179   -3.763502    3.324079
     68          6           0        2.879767   -4.622907   -1.536958
     69          6           0        2.434874   -5.514844   -2.681532
     70          1           0       -3.788993    1.610016    0.154091
     71          1           0        0.781645    3.404248    0.132206
     72          1           0       -1.013064    4.887011    0.333434
     73          1           0       -4.034663   -0.313254    0.084221
     74          1           0       -2.467962   -4.134295   -1.072409
     75          1           0       -0.341985   -3.298364   -1.148399
     76          1           0        4.186047   -2.780635   -0.368032
     77          1           0        6.260898   -1.778849   -0.381239
     78          1           0        4.434675    2.134747   -0.635780
     79          1           0       -9.176992   -3.574187   -0.479716
     80          1           0       -9.650516   -1.370285   -1.502693
     81          1           0       -7.819328    0.283485   -1.886487
     82          1           0       -5.530354   -0.262192   -1.316435
     83          1           0       -3.109690   -5.024978    0.941103
     84          1           0       -4.055787   -7.157869    1.598290
     85          1           0       -6.542245   -7.529585    1.615388
     86          1           0       -8.050539   -5.814418    0.609150
     87          1           0       -7.673368    6.025225   -1.123146
     88          1           0       -8.211801    4.308910   -2.757794
     89          1           0       -6.619895    2.386025   -3.152066
     90          1           0       -4.499071    2.241677   -1.914618
     91          1           0       -2.112663    5.706345    2.094794
     92          1           0       -2.729738    7.998701    2.728680
     93          1           0       -4.757319    9.079859    1.895379
     94          1           0       -6.439199    7.739357    0.571080
     95          1           0       11.134963    1.890493   -1.457928
     96          1           0       11.640553   -0.370629   -2.352961
     97          1           0        9.774158   -1.969160   -2.742791
     98          1           0        7.530028   -1.505399   -2.006989
     99          1           0        5.365900    2.905351    1.140600
    100          1           0        6.419877    4.941178    1.950118
    101          1           0        8.763768    5.496319    1.363878
    102          1           0       10.065948    4.089502   -0.186891
    103          1           0        2.179234   -3.896641    3.235897
    104          1           0        2.987585   -5.265165    2.437320
    105          1           0        4.505404   -4.425302    4.167349
    106          1           0        5.163532   -3.781634    2.626756
    107          1           0        4.206906   -2.725428    3.663859
    108          1           0        3.259249   -3.677432   -1.944606
    109          1           0        3.603907   -5.061272   -0.842815
    110          1           0        3.230717   -6.172919   -3.050852
    111          1           0        1.625666   -6.168799   -2.341740
    112          1           0        2.016555   -4.931084   -3.511801
    113         17           0        1.321976   -1.056157    3.909278
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0356376           0.0177364           0.0129452
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10482.7404813061 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.97D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999957   -0.009218    0.000698   -0.000827 Ang=  -1.06 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 EnCoef did     8 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 Problem detected with inexpensive integrals.
 Switching to full accuracy and repeating last cycle.
 EnCoef did   100 forward-backward iterations
 Rare condition: small coef for last iteration:  0.000D+00
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 Rare condition: small coef for last iteration: -0.911D-15
 EnCoef did     4 forward-backward iterations
 Restarting incremental Fock formation.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3LYP) =  -3613.37706512     A.U. after   47 cycles
            NFock= 47  Conv=0.52D-09     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.020654753   -0.008933173   -0.004280050
      2        6          -0.015896166    0.000833572    0.020048333
      3        6           0.012246905    0.011273532   -0.010459046
      4        6          -0.011314139   -0.006222405    0.012568847
      5        6          -0.005267642    0.004925423   -0.003229562
      6        6           0.004343439   -0.000111522   -0.010633290
      7        6           0.007109815   -0.008378838   -0.005475566
      8        6           0.014452522   -0.012983736   -0.011949732
      9        6          -0.015062191    0.031522102    0.009518579
     10        6           0.016871279   -0.001121138    0.000912422
     11        6          -0.012391043    0.001270938    0.007297382
     12        6           0.016862958    0.001452371   -0.004511605
     13        6          -0.002499212   -0.002924499    0.002781675
     14        6          -0.026955855   -0.005103312   -0.001852695
     15        7           0.005327653   -0.012957752   -0.008255398
     16        6           0.002072648    0.015917255   -0.021667880
     17        6          -0.003270174   -0.005266194    0.000551309
     18        7          -0.009443449   -0.008566963    0.004093571
     19        6           0.010842691   -0.001958755    0.022715660
     20        6          -0.016014303    0.004875001    0.002619354
     21        6           0.002915864   -0.017140099   -0.002875287
     22        6           0.010587333    0.003648550    0.001271309
     23        7          -0.006855131    0.003551496    0.001747019
     24        7           0.004535859    0.003126437    0.000882471
     25        7          -0.007389135   -0.000055921   -0.000186832
     26        6          -0.017890895   -0.009685976    0.011406441
     27        6          -0.002555269    0.004589476   -0.002757913
     28        6           0.003036554   -0.009182989   -0.009422777
     29        6          -0.010732588    0.001882489   -0.004898861
     30        6          -0.004794766    0.002084360    0.013699884
     31        6          -0.003187792   -0.005125699   -0.012557000
     32        6           0.009597787    0.000771311    0.009990265
     33        6          -0.004295842    0.004615914   -0.007006897
     34        6           0.011253233    0.005870024    0.014277188
     35        6          -0.000531972   -0.000149457   -0.019915993
     36        6          -0.006002290   -0.009181486    0.005730437
     37        6           0.009983680    0.012965778   -0.005171036
     38        6           0.011695191    0.009029990    0.002731621
     39        6          -0.005166957    0.009040297   -0.000109447
     40        6           0.001976072   -0.024451388    0.005729438
     41        6          -0.000082852    0.017097046    0.010965881
     42        6           0.011295055    0.009350657   -0.003278728
     43        6          -0.002374345    0.014879671   -0.002272518
     44        6           0.005928689   -0.001594742   -0.010655347
     45        6           0.011636757   -0.003171173    0.004901688
     46        6          -0.003598831    0.003499238   -0.009825480
     47        6           0.005526313    0.004009700    0.013047103
     48        6          -0.008058528   -0.005678702    0.004043524
     49        6           0.008927225    0.005510246   -0.002644915
     50        6           0.004578423    0.002887223    0.000536915
     51        6          -0.021717097    0.008853182   -0.003144002
     52        6           0.004118397   -0.013450267   -0.005625494
     53        6           0.011342461   -0.001523388    0.003957383
     54        6           0.007286680    0.002948660   -0.008589326
     55        6          -0.016476554   -0.012189034   -0.007381288
     56        6           0.002179209    0.012162187    0.002689764
     57        6          -0.005909836   -0.002495262    0.000019903
     58        6           0.001172857   -0.000243377    0.006775248
     59        6           0.008475829   -0.008640992   -0.015089301
     60        6          -0.000578650    0.010647178   -0.008415339
     61        6          -0.011028170   -0.014212781    0.025432052
     62        8           0.004088576    0.015670773   -0.005773539
     63       15          -0.006842152   -0.060365246    0.033370815
     64        8          -0.014731716    0.014246006   -0.021693171
     65        8           0.010635477    0.028691926    0.007434058
     66        6          -0.004853855   -0.009529798    0.024756976
     67        6           0.008418817    0.010776120   -0.015854361
     68        6          -0.012298970    0.010394847   -0.004858576
     69        6          -0.004613291   -0.009938633   -0.000942341
     70        1           0.004932540    0.000064806   -0.006997491
     71        1           0.001750215   -0.006591248    0.000221265
     72        1          -0.007693525   -0.003728804    0.001480252
     73        1           0.001306408   -0.001241769    0.000486803
     74        1          -0.002349946    0.004202878    0.000495760
     75        1           0.009703825    0.009696961    0.003949182
     76        1          -0.000754803    0.006718150   -0.002766847
     77        1           0.006229871    0.006412504   -0.004778626
     78        1          -0.007949290   -0.000204596    0.000533086
     79        1           0.001296360   -0.001568734   -0.000635766
     80        1           0.004829863   -0.001611932    0.000386927
     81        1           0.001739644   -0.001671328   -0.000109910
     82        1           0.003918699   -0.008322584   -0.005004509
     83        1          -0.007343477   -0.004386469   -0.003725385
     84        1          -0.004828429   -0.001831629    0.004484543
     85        1          -0.003043170    0.001791183   -0.001456351
     86        1          -0.001061094    0.004920342    0.001339021
     87        1           0.005489991   -0.002388107    0.002723716
     88        1           0.002498091   -0.003091749   -0.002348083
     89        1           0.002896159    0.004513315   -0.000327493
     90        1          -0.003035888    0.000227787    0.003377011
     91        1          -0.003124964   -0.004767343   -0.008008702
     92        1           0.005048139   -0.005673646   -0.001232192
     93        1          -0.000839899   -0.000991059    0.003735346
     94        1           0.001159910    0.002416881   -0.000900311
     95        1          -0.004345832   -0.001535862    0.008204692
     96        1          -0.000353254    0.004648069    0.002667278
     97        1           0.002714398    0.001185575    0.003600733
     98        1           0.000047370    0.003062521    0.002677658
     99        1          -0.000330789   -0.002824226   -0.005333568
    100        1          -0.000119462   -0.001295940    0.003098555
    101        1          -0.002142454   -0.001461069   -0.001853137
    102        1           0.000474573   -0.002608697   -0.002095667
    103        1          -0.000131110    0.003559176   -0.013728622
    104        1           0.001067794    0.003971791   -0.003622214
    105        1          -0.000894027   -0.000135609    0.001385361
    106        1          -0.002896371   -0.004634653    0.006636200
    107        1          -0.001395950   -0.003246582    0.003000002
    108        1           0.006795497   -0.004763843    0.000866079
    109        1           0.000035791   -0.002679466   -0.003537666
    110        1           0.000558440    0.005469988   -0.000586643
    111        1           0.001616131   -0.001061298    0.002501169
    112        1           0.004345342    0.000153132    0.001737208
    113       17           0.002883340   -0.001033093   -0.005782584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.060365246 RMS     0.009058446

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.028559406 RMS     0.005328642
 Search for a local minimum.
 Step number   5 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -3.51D-02 DEPred=-9.27D-02 R= 3.79D-01
 Trust test= 3.79D-01 RLast= 5.51D-01 DXMaxT set to 5.05D-01
 ITU=  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00260   0.00641   0.00985   0.01132   0.01305
     Eigenvalues ---    0.01343   0.01694   0.01735   0.02185   0.02432
     Eigenvalues ---    0.02469   0.02494   0.02534   0.02569   0.02591
     Eigenvalues ---    0.02617   0.02659   0.02683   0.02688   0.02691
     Eigenvalues ---    0.02704   0.02709   0.02711   0.02722   0.02738
     Eigenvalues ---    0.02748   0.02760   0.02763   0.02772   0.02796
     Eigenvalues ---    0.02799   0.02816   0.02817   0.02820   0.02821
     Eigenvalues ---    0.02830   0.02834   0.02863   0.02865   0.02873
     Eigenvalues ---    0.02875   0.02881   0.02882   0.02892   0.02897
     Eigenvalues ---    0.02901   0.02913   0.02916   0.02918   0.02921
     Eigenvalues ---    0.02924   0.02938   0.02940   0.02940   0.02944
     Eigenvalues ---    0.02945   0.02946   0.02948   0.02952   0.02955
     Eigenvalues ---    0.02959   0.02964   0.02967   0.02971   0.02974
     Eigenvalues ---    0.02982   0.02985   0.02987   0.02989   0.02989
     Eigenvalues ---    0.02991   0.02995   0.03007   0.03013   0.03020
     Eigenvalues ---    0.03025   0.03034   0.03046   0.03049   0.03053
     Eigenvalues ---    0.03064   0.03068   0.03076   0.03089   0.03098
     Eigenvalues ---    0.03115   0.03119   0.03126   0.03140   0.03159
     Eigenvalues ---    0.03170   0.03184   0.03197   0.03203   0.03209
     Eigenvalues ---    0.03245   0.03254   0.03257   0.03270   0.03290
     Eigenvalues ---    0.03567   0.05265   0.05319   0.05809   0.05852
     Eigenvalues ---    0.05902   0.05922   0.06195   0.06432   0.08569
     Eigenvalues ---    0.09063   0.10375   0.11337   0.12585   0.13541
     Eigenvalues ---    0.14833   0.15411   0.15600   0.15646   0.15668
     Eigenvalues ---    0.15829   0.15851   0.15856   0.15861   0.15898
     Eigenvalues ---    0.15920   0.15925   0.15947   0.15950   0.15958
     Eigenvalues ---    0.15961   0.15968   0.15971   0.15974   0.15981
     Eigenvalues ---    0.15983   0.15985   0.15986   0.15987   0.15991
     Eigenvalues ---    0.15994   0.15995   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16006   0.16426
     Eigenvalues ---    0.18421   0.20576   0.20992   0.21914   0.21951
     Eigenvalues ---    0.21961   0.21979   0.21980   0.22005   0.22019
     Eigenvalues ---    0.22184   0.22272   0.22348   0.22399   0.22513
     Eigenvalues ---    0.22549   0.22554   0.22575   0.22589   0.22934
     Eigenvalues ---    0.23385   0.23444   0.23833   0.24048   0.24113
     Eigenvalues ---    0.24138   0.24263   0.24293   0.24338   0.24348
     Eigenvalues ---    0.24423   0.24443   0.24552   0.24663   0.24716
     Eigenvalues ---    0.24735   0.24765   0.24811   0.24844   0.24863
     Eigenvalues ---    0.24875   0.24911   0.24924   0.24937   0.24948
     Eigenvalues ---    0.24973   0.24975   0.24980   0.24985   0.24989
     Eigenvalues ---    0.25000   0.25369   0.26130   0.26580   0.27485
     Eigenvalues ---    0.28176   0.28381   0.28689   0.28844   0.28858
     Eigenvalues ---    0.29269   0.29338   0.29680   0.30194   0.30526
     Eigenvalues ---    0.30641   0.30687   0.30853   0.30936   0.31101
     Eigenvalues ---    0.31231   0.31344   0.31365   0.31407   0.31504
     Eigenvalues ---    0.32092   0.32174   0.32224   0.32318   0.33103
     Eigenvalues ---    0.33483   0.33535   0.33908   0.33969   0.34183
     Eigenvalues ---    0.34491   0.34665   0.34936   0.34970   0.35151
     Eigenvalues ---    0.35454   0.35582   0.36381   0.36758   0.36858
     Eigenvalues ---    0.37138   0.37310   0.38799   0.41418   0.41503
     Eigenvalues ---    0.41916   0.42015   0.42628   0.42809   0.43458
     Eigenvalues ---    0.44134   0.45276   0.46084   0.46474   0.47015
     Eigenvalues ---    0.47040   0.47225   0.47668   0.48021   0.48432
     Eigenvalues ---    0.50158   0.50299   0.50609   0.50908   0.51133
     Eigenvalues ---    0.51710   0.51804   0.52113   0.52401   0.53024
     Eigenvalues ---    0.53077   0.53156   0.53732   0.54213   0.54256
     Eigenvalues ---    0.54651   0.55053   0.55367   0.55493   0.55668
     Eigenvalues ---    0.55891   0.56127   0.56184   0.56287   0.56387
     Eigenvalues ---    0.56585   0.56742   0.56955   0.57223   0.57384
     Eigenvalues ---    0.57629   0.58190   0.58206   0.58311   0.58318
     Eigenvalues ---    0.58505   0.58578   0.58765   0.58959   0.59423
     Eigenvalues ---    0.59685   0.59712   0.59815   0.59839   0.60632
     Eigenvalues ---    0.60897   0.61829   0.62361   0.63029   0.63545
     Eigenvalues ---    0.63776   0.64053   0.65580   0.65969   0.66882
     Eigenvalues ---    0.67870   0.68864   0.72014   0.73389   0.74614
     Eigenvalues ---    0.80395   0.82431   0.86670
 RFO step:  Lambda=-1.07303895D-01 EMin= 2.60436866D-03
 Quartic linear search produced a step of  0.41946.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.957
 Iteration  1 RMS(Cart)=  0.16374422 RMS(Int)=  0.00255679
 Iteration  2 RMS(Cart)=  0.00789081 RMS(Int)=  0.00081135
 Iteration  3 RMS(Cart)=  0.00002228 RMS(Int)=  0.00081132
 Iteration  4 RMS(Cart)=  0.00000019 RMS(Int)=  0.00081132
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.66357  -0.00832   0.00042  -0.02329  -0.02272   2.64084
    R2        2.68229  -0.00970   0.00040  -0.02756  -0.02700   2.65529
    R3        2.64923  -0.00146   0.00402  -0.01049  -0.00647   2.64277
    R4        2.65186  -0.00448   0.00092  -0.01575  -0.01485   2.63701
    R5        2.06208  -0.00562  -0.00823  -0.02270  -0.03093   2.03115
    R6        2.71307  -0.01587  -0.00453  -0.04593  -0.05068   2.66239
    R7        2.76680  -0.00219   0.00645  -0.01321  -0.00673   2.76007
    R8        2.66493  -0.00669   0.00002  -0.02213  -0.02227   2.64266
    R9        2.76451  -0.00872   0.00133  -0.03251  -0.03129   2.73322
   R10        2.63572  -0.00890  -0.00012  -0.02361  -0.02374   2.61198
   R11        2.05180  -0.00189  -0.00573  -0.00872  -0.01445   2.03735
   R12        2.05845  -0.00470  -0.01146  -0.02257  -0.03403   2.02443
   R13        2.72248  -0.00661   0.00014  -0.01943  -0.01925   2.70323
   R14        2.64883  -0.00442   0.00112  -0.01435  -0.01324   2.63559
   R15        2.73131  -0.00615   0.00655  -0.01683  -0.01021   2.72110
   R16        2.69841  -0.00695  -0.00053  -0.02201  -0.02267   2.67574
   R17        2.78545  -0.01603   0.00084  -0.04614  -0.04526   2.74019
   R18        2.61222   0.00425   0.00099   0.00326   0.00433   2.61656
   R19        2.53183  -0.02214  -0.00526  -0.05119  -0.05642   2.47541
   R20        2.65714  -0.00867  -0.00144  -0.02592  -0.02728   2.62985
   R21        2.04592  -0.00163   0.00210  -0.00414  -0.00203   2.04389
   R22        2.68859  -0.01023  -0.00052  -0.03070  -0.03107   2.65752
   R23        2.65767  -0.01016   0.00205  -0.02997  -0.02792   2.62976
   R24        2.61881  -0.00773  -0.00309  -0.02056  -0.02364   2.59517
   R25        2.05883  -0.00413  -0.01032  -0.01955  -0.02986   2.02897
   R26        2.04183  -0.00037  -0.00138  -0.00179  -0.00318   2.03865
   R27        2.65326   0.00858   0.00710   0.01316   0.02023   2.67349
   R28        3.36887   0.00551   0.00584   0.02268   0.02852   3.39739
   R29        2.71452  -0.00761   0.00471  -0.02188  -0.01731   2.69721
   R30        2.65449   0.00013   0.00218  -0.00174   0.00031   2.65480
   R31        2.57278  -0.00962   0.00063  -0.02998  -0.02938   2.54340
   R32        2.67587  -0.00902  -0.00182  -0.02847  -0.03028   2.64560
   R33        2.63863  -0.00777  -0.00066  -0.02122  -0.02184   2.61679
   R34        2.05159  -0.00705  -0.00541  -0.02420  -0.02961   2.02198
   R35        2.70903  -0.01527  -0.00224  -0.04346  -0.04560   2.66343
   R36        2.03892   0.00127   0.00494   0.00394   0.00888   2.04780
   R37        2.64057  -0.00830  -0.00312  -0.02553  -0.02861   2.61197
   R38        2.67780  -0.01168   0.00030  -0.03307  -0.03277   2.64503
   R39        2.04339   0.00010   0.00426   0.00060   0.00487   2.04825
   R40        2.67668  -0.00737   0.00270  -0.02323  -0.02054   2.65613
   R41        2.68837  -0.00978   0.00289  -0.02967  -0.02678   2.66159
   R42        2.68453  -0.00823  -0.00020  -0.02616  -0.02634   2.65819
   R43        2.67818  -0.00624   0.00575  -0.02334  -0.01756   2.66062
   R44        2.68984  -0.00852   0.00457  -0.02865  -0.02414   2.66571
   R45        2.68283  -0.00805   0.00334  -0.02646  -0.02305   2.65978
   R46        2.70542  -0.01227  -0.00370  -0.03758  -0.04116   2.66427
   R47        2.65736  -0.00934   0.00005  -0.02688  -0.02666   2.63069
   R48        2.76248  -0.00845   0.00379  -0.02705  -0.02329   2.73920
   R49        2.65525  -0.00919   0.00184  -0.02711  -0.02530   2.62995
   R50        2.68526  -0.00602   0.00306  -0.01882  -0.01580   2.66946
   R51        2.67093  -0.01238  -0.00230  -0.03395  -0.03645   2.63448
   R52        2.66410  -0.01059  -0.00205  -0.03033  -0.03222   2.63188
   R53        2.68584  -0.00823   0.00396  -0.02572  -0.02173   2.66411
   R54        2.67038  -0.01271  -0.00214  -0.03493  -0.03707   2.63331
   R55        2.77706  -0.01304   0.00255  -0.03845  -0.03590   2.74116
   R56        2.65724  -0.00683  -0.00046  -0.02046  -0.02085   2.63638
   R57        2.69534  -0.00795  -0.00115  -0.02494  -0.02608   2.66926
   R58        2.64507  -0.00457   0.00047  -0.01534  -0.01491   2.63016
   R59        2.66222  -0.00883  -0.00088  -0.02555  -0.02639   2.63584
   R60        2.69650  -0.01085   0.00083  -0.03172  -0.03108   2.66542
   R61        2.66812  -0.01103  -0.00242  -0.03196  -0.03434   2.63378
   R62        2.75212  -0.00779   0.00540  -0.02641  -0.02101   2.73111
   R63        2.66824  -0.01071  -0.00113  -0.03000  -0.03122   2.63701
   R64        2.71550  -0.01434  -0.00127  -0.04025  -0.04142   2.67408
   R65        2.65112  -0.00642  -0.00027  -0.01946  -0.01972   2.63140
   R66        2.65923  -0.00831  -0.00460  -0.02578  -0.03033   2.62890
   R67        2.63500  -0.00546   0.00329  -0.01838  -0.01523   2.61977
   R68        2.05016   0.00008  -0.00047  -0.00012  -0.00059   2.04957
   R69        2.67880  -0.01050  -0.00251  -0.02953  -0.03199   2.64680
   R70        2.06742  -0.00498  -0.00799  -0.02090  -0.02889   2.03853
   R71        2.64809  -0.00690   0.00133  -0.02023  -0.01873   2.62936
   R72        2.05335  -0.00196  -0.01000  -0.01232  -0.02232   2.03103
   R73        2.05798  -0.00374  -0.00319  -0.01308  -0.01627   2.04171
   R74        2.65152  -0.00721   0.00092  -0.02016  -0.01922   2.63230
   R75        2.07460  -0.00860  -0.01865  -0.04315  -0.06180   2.01280
   R76        2.65936  -0.00509   0.00099  -0.01437  -0.01351   2.64585
   R77        2.05255  -0.00087  -0.00302  -0.00413  -0.00715   2.04540
   R78        2.65137  -0.00918   0.00004  -0.02536  -0.02549   2.62588
   R79        2.05525  -0.00138  -0.00223  -0.00542  -0.00765   2.04760
   R80        2.05243  -0.00048  -0.00113  -0.00210  -0.00323   2.04920
   R81        2.64847  -0.00646  -0.00218  -0.01820  -0.02043   2.62804
   R82        2.06818  -0.00532  -0.01367  -0.02691  -0.04058   2.02760
   R83        2.65730  -0.00362   0.00162  -0.01066  -0.00904   2.64826
   R84        2.05225  -0.00094  -0.00423  -0.00495  -0.00918   2.04307
   R85        2.64046  -0.00352   0.00248  -0.01211  -0.00958   2.63087
   R86        2.06349  -0.00372  -0.00819  -0.01684  -0.02504   2.03845
   R87        2.05626  -0.00308  -0.00654  -0.01324  -0.01978   2.03648
   R88        2.63455  -0.00304   0.00156  -0.01026  -0.00876   2.62579
   R89        2.06036  -0.00471  -0.01044  -0.02177  -0.03221   2.02815
   R90        2.68887  -0.01265   0.00058  -0.03409  -0.03357   2.65530
   R91        2.05596  -0.00163  -0.00209  -0.00640  -0.00848   2.04747
   R92        2.64840  -0.01014  -0.00083  -0.02837  -0.02919   2.61921
   R93        2.04993   0.00012   0.00138   0.00033   0.00172   2.05165
   R94        2.05196  -0.00026  -0.00069  -0.00119  -0.00188   2.05009
   R95        2.63477  -0.00436   0.00321  -0.01444  -0.01124   2.62353
   R96        2.06702  -0.00461  -0.00810  -0.01974  -0.02784   2.03918
   R97        2.68256  -0.01206   0.00132  -0.03172  -0.03044   2.65212
   R98        2.05529  -0.00197  -0.00480  -0.00877  -0.01357   2.04172
   R99        2.63881  -0.00317   0.00099  -0.01043  -0.00945   2.62936
   R100       2.05682  -0.00209  -0.00581  -0.00974  -0.01556   2.04126
   R101       2.05372  -0.00282  -0.00598  -0.01189  -0.01787   2.03585
   R102       2.65224  -0.00776  -0.00265  -0.02206  -0.02459   2.62765
   R103       2.04980  -0.00083  -0.00004  -0.00224  -0.00228   2.04753
   R104       2.66198  -0.00572   0.00204  -0.01643  -0.01432   2.64766
   R105       2.04601   0.00111   0.00109   0.00354   0.00464   2.05065
   R106       2.64688  -0.00793   0.00058  -0.02173  -0.02120   2.62568
   R107       2.06112  -0.00260  -0.00018  -0.00865  -0.00884   2.05229
   R108       2.04900   0.00006  -0.00361  -0.00129  -0.00490   2.04410
   R109       2.79833  -0.01127  -0.00322  -0.01797  -0.02119   2.77714
   R110       3.07111  -0.02365  -0.01048  -0.06618  -0.07665   2.99446
   R111       3.15727  -0.01895  -0.01970  -0.07079  -0.09049   3.06678
   R112       2.74664  -0.00266   0.02159   0.01310   0.03469   2.78133
   R113       2.76451  -0.00007   0.00445   0.00110   0.00555   2.77005
   R114       2.86506   0.00154   0.00433   0.00600   0.01033   2.87539
   R115       2.08755  -0.01311  -0.00327  -0.04095  -0.04423   2.04332
   R116       2.08080  -0.00350  -0.00750  -0.01587  -0.02337   2.05743
   R117       2.06143   0.00093   0.00128   0.00321   0.00448   2.06591
   R118       2.09308  -0.00670  -0.01442  -0.03293  -0.04735   2.04572
   R119       2.07209  -0.00199  -0.00503  -0.00896  -0.01399   2.05809
   R120       2.86811   0.00109   0.00120   0.00377   0.00497   2.87308
   R121       2.07363  -0.00293  -0.00159  -0.00952  -0.01111   2.06252
   R122       2.06869  -0.00143  -0.00433  -0.00677  -0.01109   2.05760
   R123       2.07253  -0.00227  -0.00554  -0.01019  -0.01573   2.05680
   R124       2.06831   0.00053   0.00286   0.00226   0.00512   2.07343
   R125       2.07450  -0.00325  -0.00817  -0.01536  -0.02353   2.05097
   R126       5.74945  -0.00312  -0.00300  -0.03432  -0.03732   5.71213
    A1        2.02271   0.00970   0.01493   0.04777   0.06283   2.08554
    A2        2.10908  -0.00390  -0.00824  -0.02083  -0.02916   2.07992
    A3        2.15057  -0.00578  -0.00664  -0.02664  -0.03336   2.11721
    A4        2.17332  -0.00954  -0.01419  -0.04440  -0.05890   2.11442
    A5        2.00298   0.00756   0.01333   0.04246   0.05562   2.05860
    A6        2.08395   0.00257   0.00222   0.00958   0.01157   2.09552
    A7        2.05780   0.00193   0.00321   0.01019   0.01319   2.07099
    A8        2.14455  -0.00165  -0.00543  -0.01000  -0.01519   2.12937
    A9        2.07380  -0.00012   0.00238   0.00123   0.00349   2.07729
   A10        2.04406   0.00607   0.00936   0.03090   0.03987   2.08393
   A11        2.11176   0.00085  -0.00050   0.00027  -0.00045   2.11132
   A12        2.11934  -0.00670  -0.00833  -0.02855  -0.03659   2.08275
   A13        2.14469  -0.00394  -0.00649  -0.02015  -0.02704   2.11765
   A14        2.11261  -0.00470  -0.00746  -0.03005  -0.03732   2.07529
   A15        2.02514   0.00866   0.01401   0.05048   0.06467   2.08980
   A16        2.10304  -0.00342  -0.00506  -0.01581  -0.02110   2.08194
   A17        2.15980  -0.00549  -0.00796  -0.03399  -0.04216   2.11764
   A18        2.01194   0.00920   0.01369   0.05309   0.06675   2.07870
   A19        2.08961   0.00126   0.00391   0.00951   0.01343   2.10304
   A20        2.12593  -0.00390  -0.00966  -0.02460  -0.03428   2.09164
   A21        2.06527   0.00274   0.00588   0.01597   0.02176   2.08703
   A22        2.13608  -0.00748  -0.01254  -0.03445  -0.04690   2.08918
   A23        2.04457  -0.00109  -0.00300  -0.00609  -0.00945   2.03512
   A24        2.09502   0.00869   0.01565   0.04175   0.05761   2.15263
   A25        2.03820   0.00602   0.01007   0.02428   0.03420   2.07240
   A26        2.22146  -0.00863  -0.01027  -0.03358  -0.04404   2.17742
   A27        2.02282   0.00265   0.00046   0.00983   0.01039   2.03322
   A28        2.09911  -0.00095  -0.00453  -0.00540  -0.01008   2.08903
   A29        2.04122  -0.00383  -0.00641  -0.01709  -0.02335   2.01786
   A30        2.14271   0.00479   0.01100   0.02257   0.03354   2.17625
   A31        2.17121  -0.00829  -0.01202  -0.03941  -0.05136   2.11985
   A32        2.05408   0.00449   0.00523   0.02094   0.02613   2.08021
   A33        2.05581   0.00381   0.00691   0.01888   0.02574   2.08155
   A34        2.01202   0.01019   0.01322   0.04814   0.06170   2.07371
   A35        2.16482  -0.00795  -0.01519  -0.03814  -0.05348   2.11133
   A36        2.10516  -0.00224   0.00196  -0.00993  -0.00814   2.09702
   A37        2.13061  -0.00617  -0.00937  -0.03186  -0.04111   2.08951
   A38        2.09869   0.00070   0.00129   0.00161   0.00283   2.10152
   A39        2.05388   0.00547   0.00808   0.03026   0.03826   2.09214
   A40        2.11613   0.00275   0.00539   0.01412   0.01933   2.13546
   A41        2.21897  -0.01535  -0.02321  -0.08985  -0.11317   2.10580
   A42        1.94030   0.01274   0.01803   0.07737   0.09561   2.03591
   A43        2.11454  -0.00813  -0.00885  -0.03137  -0.04011   2.07443
   A44        2.10898  -0.00773   0.00929  -0.02230  -0.01342   2.09555
   A45        2.05040   0.01517  -0.00043   0.04711   0.04581   2.09621
   A46        2.06471  -0.00534   0.00345  -0.00795  -0.00489   2.05982
   A47        2.16964   0.00669  -0.00593   0.01264   0.00675   2.17640
   A48        2.03271  -0.00052   0.00327   0.00335   0.00577   2.03848
   A49        2.12002   0.00538   0.00366   0.02361   0.02730   2.14732
   A50        2.08742   0.00244   0.00345   0.01539   0.01851   2.10593
   A51        2.07565  -0.00780  -0.00710  -0.03883  -0.04572   2.02993
   A52        2.08257   0.00027  -0.01027  -0.02032  -0.03070   2.05187
   A53        2.12895  -0.00277  -0.00590  -0.00839  -0.01559   2.11336
   A54        2.10234   0.00250   0.00318   0.01375   0.01647   2.11881
   A55        2.01423   0.00171   0.00553   0.01070   0.01557   2.02979
   A56        2.10612   0.00122   0.00186   0.00498   0.00663   2.11275
   A57        1.99280   0.00868   0.01265   0.05269   0.06547   2.05828
   A58        2.18010  -0.00983  -0.01437  -0.05704  -0.07137   2.10873
   A59        2.03254   0.00515   0.00830   0.02363   0.03171   2.06424
   A60        2.11005   0.00091   0.00389   0.00511   0.00906   2.11911
   A61        2.14013  -0.00603  -0.01213  -0.02838  -0.04045   2.09968
   A62        2.14239  -0.00379  -0.00814  -0.02020  -0.02867   2.11371
   A63        2.09356  -0.00620  -0.00872  -0.03810  -0.04680   2.04675
   A64        2.04701   0.01003   0.01695   0.05874   0.07570   2.12271
   A65        2.20013   0.00049  -0.00261   0.00091  -0.00171   2.19842
   A66        2.19903  -0.00116  -0.00447  -0.00650  -0.01097   2.18805
   A67        1.88200   0.00071   0.00716   0.00599   0.01314   1.89514
   A68        2.17576  -0.00204  -0.00321  -0.00960  -0.01284   2.16292
   A69        2.21804   0.00171   0.00009   0.00587   0.00593   2.22398
   A70        1.88912   0.00032   0.00311   0.00367   0.00682   1.89594
   A71        2.17794   0.00134   0.00122   0.00448   0.00573   2.18367
   A72        2.21475  -0.00097  -0.00188  -0.00388  -0.00568   2.20907
   A73        1.89013  -0.00038   0.00064  -0.00069  -0.00017   1.88996
   A74        1.88991   0.00166  -0.00019   0.00458   0.00431   1.89422
   A75        2.31983  -0.01102  -0.01320  -0.04789  -0.06129   2.25854
   A76        2.06794   0.00941   0.01352   0.04398   0.05777   2.12571
   A77        1.87478  -0.00058   0.00089  -0.00400  -0.00314   1.87164
   A78        2.11799  -0.00380  -0.00780  -0.01857  -0.02636   2.09163
   A79        2.28974   0.00437   0.00690   0.02248   0.02939   2.31913
   A80        1.86271   0.00162   0.00138   0.00767   0.00908   1.87179
   A81        2.30933   0.00037   0.00208   0.00205   0.00417   2.31349
   A82        2.10451  -0.00180  -0.00309  -0.00783  -0.01119   2.09331
   A83        1.90814  -0.00301  -0.00515  -0.01177  -0.01697   1.89117
   A84        2.28726  -0.00275  -0.00403  -0.01564  -0.01975   2.26752
   A85        2.08529   0.00571   0.00910   0.02696   0.03616   2.12145
   A86        1.90853  -0.00101  -0.00679  -0.00489  -0.01170   1.89684
   A87        2.28784  -0.00395  -0.00307  -0.01928  -0.02237   2.26547
   A88        2.08026   0.00507   0.01013   0.02552   0.03560   2.11587
   A89        1.86656   0.00012   0.00197   0.00019   0.00210   1.86866
   A90        2.12269  -0.00444  -0.00825  -0.01913  -0.02749   2.09519
   A91        2.29009   0.00445   0.00654   0.02033   0.02685   2.31694
   A92        1.86264   0.00181   0.00291   0.00757   0.01051   1.87315
   A93        2.32280  -0.00119   0.00021  -0.00358  -0.00337   2.31944
   A94        2.09611  -0.00062  -0.00310  -0.00393  -0.00708   2.08904
   A95        1.90398  -0.00160  -0.00515  -0.00841  -0.01359   1.89039
   A96        2.28380  -0.00369  -0.00306  -0.01623  -0.01935   2.26446
   A97        2.08620   0.00537   0.00844   0.02571   0.03418   2.12038
   A98        1.90239  -0.00168  -0.00323  -0.00624  -0.00936   1.89303
   A99        2.28873  -0.00417  -0.00459  -0.01948  -0.02412   2.26461
   A100       2.07383   0.00616   0.00843   0.02897   0.03706   2.11089
   A101       1.86599   0.00173   0.00338   0.00783   0.01123   1.87722
   A102       2.12509  -0.00555  -0.01040  -0.02642  -0.03734   2.08775
   A103       2.29171   0.00386   0.00711   0.01903   0.02646   2.31817
   A104       1.87662  -0.00124  -0.00254  -0.00698  -0.00957   1.86705
   A105       2.31173  -0.00022  -0.00012   0.00026   0.00009   2.31182
   A106       2.09231   0.00151   0.00273   0.00722   0.01003   2.10234
   A107       1.88905   0.00158   0.00178   0.00627   0.00809   1.89713
   A108       2.31319  -0.00655  -0.00939  -0.02951  -0.03900   2.27418
   A109       2.07727   0.00501   0.00772   0.02378   0.03155   2.10881
   A110       2.06946   0.00164   0.00295   0.00833   0.01095   2.08041
   A111       2.11557  -0.00239  -0.00386  -0.01332  -0.01706   2.09851
   A112       2.09706   0.00080   0.00102   0.00557   0.00670   2.10376
   A113       2.12486  -0.00486  -0.00896  -0.02481  -0.03389   2.09097
   A114       2.08286   0.00187   0.00319   0.00886   0.01203   2.09489
   A115       2.07387   0.00308   0.00594   0.01692   0.02280   2.09668
   A116       2.07823   0.00843   0.01534   0.04339   0.05901   2.13724
   A117       2.10358  -0.00313  -0.00602  -0.01513  -0.02128   2.08230
   A118       2.10137  -0.00530  -0.00932  -0.02826  -0.03773   2.06365
   A119       2.09932  -0.00891  -0.01488  -0.04362  -0.05862   2.04070
   A120       2.14769  -0.00034  -0.00136  -0.00592  -0.00810   2.13960
   A121       2.01406   0.01010   0.01800   0.05962   0.07711   2.09117
   A122       2.09274  -0.00780  -0.01059  -0.03752  -0.04800   2.04474
   A123       2.10478   0.00448   0.00637   0.02219   0.02852   2.13330
   A124       2.08456   0.00333   0.00425   0.01544   0.01963   2.10419
   A125       2.11000   0.00175   0.00321   0.01117   0.01416   2.12415
   A126       2.02605   0.00495   0.00706   0.02879   0.03595   2.06200
   A127       2.14710  -0.00670  -0.01025  -0.03991  -0.05007   2.09703
   A128       2.09676   0.00059   0.00124   0.00446   0.00512   2.10188
   A129       2.06359   0.00344   0.00524   0.02064   0.02590   2.08949
   A130       2.12038  -0.00385  -0.00610  -0.02313  -0.02924   2.09114
   A131       2.07568   0.00009   0.00098  -0.00070  -0.00001   2.07566
   A132       2.13250  -0.00396  -0.00680  -0.02324  -0.02990   2.10260
   A133       2.07488   0.00388   0.00583   0.02401   0.02998   2.10486
   A134       2.09670  -0.00324  -0.00320  -0.01549  -0.01892   2.07777
   A135       2.12052  -0.00219  -0.00465  -0.01496  -0.01972   2.10079
   A136       2.06167   0.00561   0.00827   0.03257   0.04080   2.10248
   A137       2.08003   0.00349   0.00657   0.01904   0.02550   2.10553
   A138       2.06166   0.00281   0.00336   0.01743   0.02077   2.08243
   A139       2.14113  -0.00627  -0.00985  -0.03609  -0.04596   2.09517
   A140       2.12419  -0.00133  -0.00262  -0.00576  -0.00851   2.11568
   A141       2.08214   0.00162   0.00326   0.00952   0.01262   2.09477
   A142       2.07307  -0.00009  -0.00023  -0.00160  -0.00200   2.07107
   A143       2.07778  -0.00347  -0.00561  -0.01719  -0.02290   2.05488
   A144       2.11545   0.00122   0.00219   0.00634   0.00827   2.12372
   A145       2.08067   0.00260   0.00417   0.01475   0.01870   2.09936
   A146       2.06359  -0.00250  -0.00480  -0.01143  -0.01646   2.04713
   A147       2.19263  -0.00717  -0.01051  -0.04467  -0.05508   2.13755
   A148       2.02689   0.00966   0.01530   0.05599   0.07137   2.09825
   A149       2.12877  -0.00061  -0.00147  -0.00238  -0.00412   2.12465
   A150       2.13471  -0.00742  -0.01234  -0.04552  -0.05774   2.07696
   A151       2.01857   0.00807   0.01388   0.04829   0.06228   2.08085
   A152       2.08727   0.00176   0.00409   0.00813   0.01203   2.09930
   A153       2.09932  -0.00177  -0.00342  -0.00940  -0.01273   2.08659
   A154       2.09635   0.00002  -0.00065   0.00136   0.00080   2.09715
   A155       2.06704   0.00128   0.00150   0.00522   0.00663   2.07367
   A156       2.08477   0.00124   0.00101   0.00773   0.00873   2.09350
   A157       2.13135  -0.00253  -0.00251  -0.01304  -0.01556   2.11579
   A158       2.10470  -0.00491  -0.00905  -0.02468  -0.03379   2.07092
   A159       2.12629  -0.00279  -0.00434  -0.01912  -0.02363   2.10266
   A160       2.04522   0.00790   0.01378   0.04610   0.05987   2.10509
   A161       2.07893   0.00298   0.00464   0.01633   0.02073   2.09966
   A162       2.14179  -0.00638  -0.01056  -0.03732  -0.04817   2.09361
   A163       2.05637   0.00371   0.00657   0.02428   0.03072   2.08709
   A164       2.11449   0.00113   0.00298   0.00728   0.01015   2.12464
   A165       2.11163  -0.00296  -0.00401  -0.01687  -0.02093   2.09070
   A166       2.05425   0.00194   0.00125   0.01077   0.01201   2.06626
   A167       2.08970  -0.00552  -0.00858  -0.02773  -0.03629   2.05341
   A168       2.13887   0.00002  -0.00043  -0.00301  -0.00345   2.13542
   A169       2.05348   0.00552   0.00906   0.03101   0.04005   2.09353
   A170       2.07902  -0.00385  -0.00525  -0.01864  -0.02465   2.05436
   A171       2.15876  -0.00310  -0.00537  -0.02018  -0.02592   2.13284
   A172       2.03730   0.00743   0.01171   0.04399   0.05553   2.09283
   A173       2.10003   0.00378   0.00827   0.02234   0.03030   2.13033
   A174       2.08927  -0.00284  -0.00580  -0.01677  -0.02244   2.06683
   A175       2.09227  -0.00087  -0.00234  -0.00479  -0.00709   2.08518
   A176       2.13043  -0.00688  -0.01152  -0.03245  -0.04452   2.08590
   A177       2.07896   0.00283   0.00451   0.01269   0.01732   2.09628
   A178       2.07271   0.00414   0.00720   0.02074   0.02804   2.10076
   A179       2.02783   0.00774   0.01352   0.04184   0.05426   2.08209
   A180       2.14237  -0.00669  -0.01062  -0.03518  -0.04682   2.09555
   A181       2.09143   0.00008  -0.00041   0.00578   0.00482   2.09624
   A182       2.02479  -0.00976   0.01118  -0.03655  -0.02164   2.00315
   A183       1.86461  -0.01663  -0.00191  -0.08136  -0.08593   1.77868
   A184       1.93076  -0.00576  -0.05048  -0.07534  -0.12719   1.80357
   A185       1.98840   0.01292   0.01597   0.07103   0.08170   2.07010
   A186       1.82135   0.01239   0.02589   0.09436   0.11567   1.93702
   A187       1.82383   0.00937  -0.00231   0.03547   0.02067   1.84450
   A188       2.11708  -0.02282   0.03905  -0.03753   0.00152   2.11861
   A189       2.15293   0.01855   0.00716   0.06901   0.07617   2.22910
   A190       1.88335   0.00284  -0.00620  -0.00013  -0.00647   1.87688
   A191       1.98353  -0.02132   0.06034  -0.07373  -0.01300   1.97053
   A192       1.88501   0.00534  -0.02981   0.00422  -0.02537   1.85964
   A193       1.87949   0.01057  -0.01724   0.03257   0.01472   1.89421
   A194       1.95809  -0.00321   0.00699   0.00713   0.01320   1.97129
   A195       1.87610   0.00525  -0.01225   0.02903   0.01675   1.89284
   A196       1.93775  -0.00232  -0.00299  -0.01712  -0.02011   1.91764
   A197       1.92101   0.00278   0.00428   0.01884   0.02296   1.94396
   A198       1.91042  -0.00023   0.00216   0.00199   0.00384   1.91426
   A199       1.91002  -0.00144  -0.00323  -0.01190  -0.01500   1.89502
   A200       1.92952  -0.00088  -0.00223  -0.01071  -0.01308   1.91644
   A201       1.85333   0.00231   0.00235   0.02075   0.02262   1.87595
   A202       1.85137   0.00153   0.00298   0.01085   0.01325   1.86462
   A203       1.85939   0.00329   0.00772   0.03578   0.04255   1.90193
   A204       1.88692   0.00158   0.00253   0.00871   0.01106   1.89798
   A205       1.90453   0.00227   0.00459   0.01757   0.02111   1.92564
   A206       2.02279  -0.00718  -0.01301  -0.05386  -0.06708   1.95571
   A207       1.93032  -0.00056  -0.00259  -0.01068  -0.01388   1.91644
   A208       1.97563  -0.00382  -0.00493  -0.02488  -0.03018   1.94544
   A209       1.91105  -0.00064  -0.00034   0.00023  -0.00009   1.91096
   A210       1.94933  -0.00099  -0.00265  -0.00777  -0.01079   1.93854
   A211       1.85723   0.00272   0.00390   0.01735   0.02127   1.87850
   A212       1.91868   0.00031  -0.00036  -0.00478  -0.00583   1.91284
   A213       1.84501   0.00308   0.00554   0.02464   0.03022   1.87523
   A214       2.19384  -0.02856   0.04866  -0.04829   0.00037   2.19421
    D1       -0.01718  -0.00024  -0.00019  -0.00274  -0.00315  -0.02033
    D2        2.89356   0.00325   0.00710   0.03756   0.04474   2.93830
    D3        3.08216   0.00038   0.00088   0.00429   0.00504   3.08721
    D4       -0.29028   0.00387   0.00818   0.04458   0.05293  -0.23735
    D5        0.12040  -0.00215  -0.00452  -0.02213  -0.02618   0.09422
    D6        3.11639   0.00111   0.00225   0.01059   0.01212   3.12851
    D7       -2.97783  -0.00285  -0.00559  -0.02956  -0.03473  -3.01256
    D8        0.01815   0.00041   0.00118   0.00316   0.00357   0.02172
    D9        2.64498  -0.00416  -0.00560  -0.04166  -0.04703   2.59795
   D10       -0.57336  -0.00342  -0.00372  -0.03377  -0.03734  -0.61070
   D11       -0.54204  -0.00311  -0.00389  -0.03226  -0.03630  -0.57834
   D12        2.52280  -0.00237  -0.00201  -0.02437  -0.02661   2.49619
   D13       -0.14970   0.00329   0.00680   0.03575   0.04224  -0.10746
   D14        3.12073   0.00185   0.00514   0.02267   0.02747  -3.13499
   D15       -3.05049  -0.00087  -0.00206  -0.00983  -0.01177  -3.06226
   D16        0.21994  -0.00231  -0.00372  -0.02292  -0.02655   0.19339
   D17        0.20870  -0.00332  -0.00715  -0.03941  -0.04743   0.16126
   D18       -3.06681  -0.00201  -0.00361  -0.01977  -0.02353  -3.09034
   D19       -3.05637  -0.00207  -0.00618  -0.02776  -0.03456  -3.09093
   D20       -0.04869  -0.00076  -0.00264  -0.00812  -0.01065  -0.05935
   D21        3.01636   0.00173   0.00351   0.01986   0.02324   3.03960
   D22       -0.04993   0.00007   0.00108   0.00517   0.00644  -0.04349
   D23        0.00473   0.00013   0.00179   0.00605   0.00774   0.01246
   D24       -3.06156  -0.00152  -0.00064  -0.00865  -0.00906  -3.07063
   D25       -0.11424   0.00198   0.00433   0.02073   0.02442  -0.08982
   D26        3.07078   0.00105   0.00224   0.01109   0.01304   3.08382
   D27       -3.12130   0.00004   0.00007  -0.00139  -0.00192  -3.12322
   D28        0.06372  -0.00089  -0.00203  -0.01103  -0.01330   0.05042
   D29       -0.03906  -0.00033  -0.00153  -0.00739  -0.00868  -0.04774
   D30        3.12027  -0.00074  -0.00492  -0.01254  -0.01751   3.10276
   D31        2.96280   0.00205   0.00366   0.01779   0.02111   2.98391
   D32       -0.16105   0.00164   0.00027   0.01265   0.01228  -0.14877
   D33       -0.05521   0.00125   0.00267   0.01346   0.01609  -0.03912
   D34       -3.06298  -0.00067  -0.00183  -0.01015  -0.01283  -3.07582
   D35        3.04498   0.00185   0.00416   0.02088   0.02519   3.07017
   D36        0.03721  -0.00007  -0.00034  -0.00272  -0.00374   0.03347
   D37        0.13284   0.00068   0.00211   0.00811   0.00968   0.14252
   D38       -2.87723  -0.00101  -0.00012  -0.00565  -0.00590  -2.88313
   D39       -3.08145   0.00199   0.00373   0.02056   0.02403  -3.05743
   D40        0.19167   0.00030   0.00151   0.00680   0.00845   0.20012
   D41        3.03879  -0.00020  -0.00165  -0.00434  -0.00600   3.03278
   D42       -0.17379   0.00036   0.00071   0.00373   0.00432  -0.16948
   D43       -0.02852  -0.00177  -0.00398  -0.01860  -0.02233  -0.05085
   D44        3.04209  -0.00121  -0.00161  -0.01053  -0.01201   3.03008
   D45       -0.21481  -0.00233  -0.00701  -0.02528  -0.03229  -0.24710
   D46        2.88470  -0.00090  -0.00030  -0.00909  -0.00954   2.87516
   D47        2.79156  -0.00136  -0.00615  -0.01484  -0.02121   2.77036
   D48       -0.39210   0.00007   0.00056   0.00135   0.00154  -0.39057
   D49       -0.17932   0.00038   0.00032   0.00209   0.00271  -0.17660
   D50        2.81634   0.00275   0.00399   0.02409   0.02702   2.84336
   D51        3.09055   0.00000   0.00037  -0.00540  -0.00498   3.08556
   D52       -0.19698   0.00237   0.00404   0.01660   0.01933  -0.17765
   D53        0.16603   0.00263   0.00730   0.02699   0.03482   0.20084
   D54       -2.99437   0.00297   0.01062   0.03201   0.04386  -2.95052
   D55       -2.93835   0.00166   0.00179   0.01380   0.01535  -2.92300
   D56        0.18443   0.00200   0.00511   0.01882   0.02439   0.20882
   D57        2.96883  -0.00331  -0.00866  -0.03459  -0.04283   2.92600
   D58       -0.32231  -0.00755  -0.00858  -0.08320  -0.09006  -0.41237
   D59       -0.21452  -0.00182  -0.00173  -0.01821  -0.02001  -0.23453
   D60        2.77752  -0.00605  -0.00165  -0.06681  -0.06724   2.71028
   D61        3.06783   0.00053  -0.00000   0.00271   0.00350   3.07133
   D62       -0.05554   0.00017  -0.00324  -0.00225  -0.00532  -0.06085
   D63       -0.14822   0.00105   0.00239   0.01376   0.01612  -0.13210
   D64        3.04567   0.00107   0.00255   0.01224   0.01461   3.06028
   D65        3.06443   0.00046   0.00009   0.00561   0.00578   3.07021
   D66       -0.02487   0.00048   0.00025   0.00409   0.00427  -0.02060
   D67        0.16325  -0.00019  -0.00028  -0.00403  -0.00469   0.15856
   D68       -2.97774   0.00060   0.00089   0.00152   0.00174  -2.97600
   D69       -3.02871  -0.00041  -0.00102  -0.00356  -0.00469  -3.03339
   D70        0.11350   0.00038   0.00015   0.00198   0.00174   0.11523
   D71       -2.52797   0.00142   0.00153   0.01496   0.01667  -2.51131
   D72        0.58603   0.00129   0.00085   0.01183   0.01274   0.59877
   D73        0.66857   0.00110   0.00144   0.01179   0.01317   0.68175
   D74       -2.50061   0.00098   0.00076   0.00866   0.00925  -2.49137
   D75       -0.00214   0.00034   0.00027   0.00048   0.00068  -0.00146
   D76       -3.01910   0.00039   0.00038  -0.00599  -0.00691  -3.02601
   D77        3.13885  -0.00044  -0.00087  -0.00494  -0.00572   3.13313
   D78        0.12190  -0.00038  -0.00075  -0.01141  -0.01331   0.10859
   D79        0.12636   0.00102  -0.00011   0.00906   0.00907   0.13543
   D80       -2.81608  -0.00389  -0.00522  -0.04027  -0.04564  -2.86172
   D81       -2.87053   0.00694  -0.00101   0.06158   0.06122  -2.80931
   D82        0.47021   0.00203  -0.00612   0.01225   0.00652   0.47673
   D83       -0.36838  -0.00247   0.01302  -0.00718   0.00632  -0.36206
   D84       -2.60683   0.00185  -0.01469  -0.00518  -0.01570  -2.62253
   D85        1.70130   0.00262   0.01711   0.03388   0.04812   1.74942
   D86        2.62899  -0.00841   0.01233  -0.06034  -0.04871   2.58028
   D87        0.39054  -0.00409  -0.01538  -0.05834  -0.07073   0.31981
   D88       -1.58451  -0.00332   0.01642  -0.01928  -0.00692  -1.59143
   D89        0.01269  -0.00017   0.00106   0.00367   0.00483   0.01752
   D90       -3.11401  -0.00170   0.00051  -0.00949  -0.00904  -3.12305
   D91        2.97071   0.00524   0.00463   0.05034   0.05542   3.02614
   D92       -0.15599   0.00371   0.00409   0.03718   0.04155  -0.11443
   D93       -3.04637  -0.00307  -0.00613  -0.02866  -0.03396  -3.08033
   D94       -0.20964   0.00295   0.00551   0.03661   0.04285  -0.16679
   D95        0.29106  -0.00737  -0.01119  -0.07597  -0.08695   0.20411
   D96        3.12779  -0.00135   0.00044  -0.01070  -0.01014   3.11765
   D97       -0.04499  -0.00131   0.00024  -0.00935  -0.00963  -0.05462
   D98        3.08181   0.00029   0.00087   0.00416   0.00418   3.08599
   D99       -0.05924   0.00178   0.00403   0.01960   0.02342  -0.03582
   D100       3.10612  -0.00026  -0.00035  -0.00362  -0.00338   3.10274
   D101       3.09687   0.00018   0.00340   0.00626   0.00986   3.10673
   D102      -0.02096  -0.00186  -0.00097  -0.01696  -0.01694  -0.03790
   D103      -0.21235   0.00517   0.00905   0.05641   0.06554  -0.14682
   D104       2.83597   0.00541   0.00984   0.06035   0.07057   2.90654
   D105      -3.06342  -0.00075  -0.00176  -0.00650  -0.00803  -3.07145
   D106      -0.01510  -0.00051  -0.00098  -0.00257  -0.00300  -0.01810
   D107      -0.01129   0.00036  -0.00024   0.00188   0.00170  -0.00959
   D108      -3.12077  -0.00065  -0.00162  -0.01001  -0.01194  -3.13270
   D109      -3.04909  -0.00102  -0.00283  -0.00912  -0.01131  -3.06040
   D110       0.12462  -0.00204  -0.00421  -0.02101  -0.02495   0.09968
   D111       0.14337  -0.00336  -0.00590  -0.03809  -0.04427   0.09910
   D112      -3.02139  -0.00157  -0.00208  -0.01667  -0.01793  -3.03932
   D113      -3.03095  -0.00219  -0.00412  -0.02528  -0.02981  -3.06076
   D114       0.08748  -0.00040  -0.00030  -0.00386  -0.00347   0.08400
   D115      -2.69567   0.00479   0.00755   0.05126   0.05877  -2.63690
   D116       0.47828   0.00524   0.00843   0.05555   0.06373   0.54201
   D117       0.48007   0.00349   0.00563   0.03760   0.04348   0.52354
   D118      -2.62918   0.00395   0.00650   0.04189   0.04844  -2.58073
   D119       3.12079  -0.00024  -0.00062  -0.00261  -0.00319   3.11759
   D120      -0.14755   0.00124   0.00269   0.01251   0.01510  -0.13245
   D121       0.04440  -0.00079  -0.00183  -0.00888  -0.01072   0.03368
   D122       3.05926   0.00068   0.00148   0.00625   0.00757   3.06683
   D123      -3.10680  -0.00015  -0.00032  -0.00145  -0.00175  -3.10856
   D124      -0.11481   0.00108   0.00220   0.00955   0.01156  -0.10325
   D125      -0.03037   0.00048   0.00098   0.00516   0.00615  -0.02422
   D126       2.96162   0.00171   0.00350   0.01616   0.01946   2.98109
   D127       3.10514   0.00044   0.00070   0.00471   0.00542   3.11056
   D128       0.08151  -0.00094  -0.00178  -0.00642  -0.00800   0.07351
   D129      -0.01328   0.00052   0.00130   0.00727   0.00866  -0.00462
   D130      -3.03691  -0.00086  -0.00119  -0.00387  -0.00476  -3.04167
   D131      -3.10250  -0.00071  -0.00125  -0.00675  -0.00779  -3.11029
   D132       0.11708  -0.00025  -0.00034  -0.00088  -0.00136   0.11572
   D133       0.01520  -0.00085  -0.00192  -0.00966  -0.01150   0.00371
   D134      -3.04841  -0.00039  -0.00101  -0.00378  -0.00506  -3.05347
   D135      -3.10442  -0.00005  -0.00016  -0.00037  -0.00045  -3.10488
   D136       0.24883  -0.00263  -0.00466  -0.02299  -0.02662   0.22221
   D137       0.00992  -0.00045  -0.00094  -0.00406  -0.00477   0.00516
   D138      -2.92001  -0.00304  -0.00544  -0.02668  -0.03093  -2.95094
   D139       3.08664   0.00006   0.00028   0.00213   0.00281   3.08945
   D140       0.04102  -0.00085  -0.00173  -0.00670  -0.00797   0.03305
   D141      -0.02697   0.00043   0.00102   0.00574   0.00697  -0.02000
   D142      -3.07259  -0.00048  -0.00099  -0.00309  -0.00381  -3.07640
   D143       0.00646  -0.00005  -0.00028  -0.00242  -0.00275   0.00370
   D144      -3.09974   0.00014  -0.00001  -0.00063  -0.00091  -3.10066
   D145       3.04983  -0.00041  -0.00021   0.00009   0.00046   3.05028
   D146      -0.05637  -0.00022   0.00006   0.00189   0.00230  -0.05407
   D147       3.09263   0.00031   0.00021   0.00002   0.00000   3.09263
   D148       0.00176  -0.00003  -0.00060  -0.00303  -0.00387  -0.00211
   D149       0.07852  -0.00060  -0.00153  -0.00916  -0.01081   0.06771
   D150      -3.01234  -0.00094  -0.00233  -0.01220  -0.01468  -3.02703
   D151       0.00274  -0.00044  -0.00085  -0.00333  -0.00416  -0.00142
   D152       3.01730   0.00121   0.00235   0.01422   0.01656   3.03386
   D153       3.10416  -0.00090  -0.00157  -0.00661  -0.00807   3.09610
   D154      -0.16447   0.00075   0.00163   0.01094   0.01266  -0.15181
   D155       0.05203  -0.00110  -0.00237  -0.01317  -0.01545   0.03658
   D156      -3.07187  -0.00169  -0.00322  -0.01787  -0.02092  -3.09279
   D157      -3.04468  -0.00068  -0.00178  -0.00996  -0.01180  -3.05648
   D158       0.11461  -0.00127  -0.00263  -0.01465  -0.01727   0.09734
   D159      -0.01101   0.00079   0.00174   0.00798   0.00962  -0.00139
   D160       3.06305   0.00002   0.00039   0.00094   0.00120   3.06425
   D161      -3.04356  -0.00078  -0.00144  -0.00777  -0.00909  -3.05265
   D162       0.03049  -0.00155  -0.00278  -0.01481  -0.01751   0.01298
   D163      -3.05379  -0.00048  -0.00081  -0.00425  -0.00490  -3.05869
   D164       0.13780  -0.00170  -0.00322  -0.01782  -0.02103   0.11678
   D165      -0.05360   0.00158   0.00310   0.01630   0.01929  -0.03431
   D166       3.13799   0.00036   0.00069   0.00273   0.00316   3.14115
   D167       3.10570  -0.00157  -0.00327  -0.01555  -0.01816   3.08754
   D168      -0.27074   0.00420   0.00804   0.04488   0.05221  -0.21853
   D169       0.04865  -0.00071  -0.00173  -0.00753  -0.00865   0.04000
   D170       2.95540   0.00506   0.00958   0.05290   0.06172   3.01711
   D171      -0.04074   0.00080   0.00198   0.00916   0.01113  -0.02961
   D172      -3.09803  -0.00092  -0.00122  -0.00723  -0.00799  -3.10602
   D173      -3.07298   0.00022   0.00008  -0.00046  -0.00082  -3.07380
   D174       0.15291  -0.00150  -0.00313  -0.01685  -0.01994   0.13298
   D175       3.08567   0.00179   0.00350   0.01858   0.02181   3.10749
   D176      -0.07035   0.00099   0.00189   0.00996   0.01210  -0.05825
   D177      -0.19296   0.00295   0.00593   0.03274   0.03865  -0.15431
   D178       2.93421   0.00215   0.00432   0.02413   0.02894   2.96314
   D179       0.02150  -0.00046  -0.00109  -0.00565  -0.00687   0.01463
   D180      -3.05665  -0.00054  -0.00120  -0.00683  -0.00807  -3.06472
   D181       3.06763   0.00085   0.00142   0.01009   0.01172   3.07936
   D182      -0.01052   0.00077   0.00132   0.00892   0.01052   0.00000
   D183      -0.00650  -0.00082  -0.00163  -0.01042  -0.01229  -0.01879
   D184      -3.14078   0.00028   0.00062   0.00212   0.00273  -3.13805
   D185      -3.04081  -0.00260  -0.00513  -0.02940  -0.03466  -3.07547
   D186       0.10810  -0.00149  -0.00287  -0.01686  -0.01964   0.08845
   D187       0.00533  -0.00001   0.00002   0.00031   0.00042   0.00575
   D188      -3.00632  -0.00026  -0.00118  -0.00549  -0.00670  -3.01302
   D189       3.09339   0.00002   0.00022   0.00125   0.00148   3.09487
   D190       0.08173  -0.00023  -0.00098  -0.00455  -0.00564   0.07609
   D191       2.96488   0.00244   0.00521   0.02737   0.03243   2.99731
   D192      -0.07536  -0.00004   0.00011   0.00051   0.00104  -0.07432
   D193      -0.10648   0.00229   0.00491   0.02575   0.03060  -0.07588
   D194       3.13647  -0.00019  -0.00020  -0.00112  -0.00079   3.13568
   D195      -2.97633  -0.00244  -0.00487  -0.02721  -0.03221  -3.00853
   D196       0.01805   0.00047   0.00106   0.00468   0.00561   0.02366
   D197       0.00267  -0.00169  -0.00323  -0.01811  -0.02146  -0.01879
   D198       2.99704   0.00122   0.00270   0.01379   0.01637   3.01341
   D199       0.01073   0.00023   0.00041   0.00061   0.00054   0.01127
   D200       3.12531   0.00173   0.00340   0.01583   0.01832  -3.13956
   D201       2.97072   0.00114   0.00262   0.01389   0.01605   2.98677
   D202      -0.19788   0.00265   0.00561   0.02911   0.03383  -0.16405
   D203       2.93171   0.00462   0.00910   0.04660   0.05407   2.98578
   D204      -0.06879  -0.00011  -0.00074  -0.00164  -0.00167  -0.07047
   D205       0.01883   0.00275   0.00560   0.02631   0.03077   0.04960
   D206      -2.98167  -0.00199  -0.00424  -0.02193  -0.02497  -3.00664
   D207      -0.02703   0.00004   0.00024   0.00298   0.00379  -0.02324
   D208      -3.08976  -0.00065  -0.00096  -0.00506  -0.00569  -3.09545
   D209      -3.13805  -0.00145  -0.00266  -0.01324  -0.01585   3.12929
   D210       0.08241  -0.00215  -0.00387  -0.02128  -0.02533   0.05708
   D211       0.28100  -0.00619  -0.01274  -0.07022  -0.08401   0.19699
   D212      -3.08295  -0.00032  -0.00071  -0.00558  -0.00760  -3.09055
   D213      -2.89500  -0.00437  -0.00915  -0.05132  -0.06160  -2.95660
   D214       0.02423   0.00150   0.00288   0.01332   0.01481   0.03904
   D215       0.03340  -0.00033  -0.00084  -0.00551  -0.00680   0.02660
   D216       3.09416  -0.00027  -0.00024  -0.00134  -0.00161   3.09255
   D217       3.10790   0.00019   0.00006   0.00106   0.00092   3.10882
   D218      -0.11453   0.00025   0.00067   0.00523   0.00611  -0.10841
   D219       3.06666   0.00153   0.00283   0.01686   0.01977   3.08643
   D220      -0.20515   0.00396   0.00736   0.04167   0.04852  -0.15663
   D221       0.01182   0.00087   0.00172   0.00857   0.01001   0.02184
   D222       3.02320   0.00331   0.00625   0.03337   0.03876   3.06196
   D223      -3.12681  -0.00007  -0.00013  -0.00175  -0.00190  -3.12872
   D224       0.06726  -0.00073  -0.00150  -0.00892  -0.01046   0.05680
   D225       0.11905  -0.00083  -0.00192  -0.01018  -0.01218   0.10687
   D226      -2.97006  -0.00148  -0.00330  -0.01736  -0.02073  -2.99080
   D227      -0.00128   0.00039   0.00060   0.00305   0.00317   0.00189
   D228      -3.08154  -0.00136  -0.00279  -0.01618  -0.01952  -3.10106
   D229       3.09086   0.00150   0.00282   0.01591   0.01865   3.10951
   D230       0.01060  -0.00024  -0.00057  -0.00332  -0.00404   0.00656
   D231       0.07905  -0.00174  -0.00333  -0.02062  -0.02456   0.05450
   D232      -3.06165  -0.00172  -0.00330  -0.02011  -0.02390  -3.08555
   D233      -3.12356  -0.00004  -0.00006  -0.00175  -0.00222  -3.12578
   D234       0.01892  -0.00002  -0.00003  -0.00124  -0.00156   0.01736
   D235      -0.10200   0.00208   0.00419   0.02356   0.02795  -0.07405
   D236      -3.02597  -0.00214  -0.00406  -0.02518  -0.02999  -3.05596
   D237       3.03871   0.00206   0.00416   0.02306   0.02730   3.06601
   D238       0.11473  -0.00216  -0.00409  -0.02568  -0.03063   0.08410
   D239      -0.09908   0.00257   0.00511   0.02691   0.03186  -0.06722
   D240       3.05177   0.00197   0.00369   0.02097   0.02438   3.07616
   D241       2.99237   0.00295   0.00597   0.03014   0.03597   3.02834
   D242      -0.13996   0.00235   0.00455   0.02420   0.02849  -0.11147
   D243       0.09462  -0.00314  -0.00634  -0.03467  -0.04131   0.05330
   D244      -3.12113  -0.00060  -0.00130  -0.00598  -0.00684  -3.12797
   D245      -3.05690  -0.00244  -0.00467  -0.02790  -0.03321  -3.09011
   D246       0.01054   0.00010   0.00037   0.00078   0.00126   0.01180
   D247      -0.06996   0.00261   0.00523   0.02861   0.03357  -0.03638
   D248       3.05453   0.00310   0.00591   0.03267   0.03844   3.09297
   D249      -3.13493  -0.00034  -0.00057  -0.00297  -0.00333  -3.13826
   D250      -0.01045   0.00016   0.00011   0.00109   0.00154  -0.00891
   D251       0.04638  -0.00188  -0.00378  -0.02120  -0.02508   0.02130
   D252      -3.12344  -0.00063  -0.00134  -0.00707  -0.00823  -3.13168
   D253       3.08999   0.00009   0.00037   0.00216   0.00287   3.09285
   D254      -0.07984   0.00134   0.00281   0.01628   0.01971  -0.06012
   D255       0.03968  -0.00024  -0.00048  -0.00250  -0.00308   0.03660
   D256       3.08676   0.00224   0.00427   0.02449   0.02862   3.11538
   D257      -3.07233  -0.00171  -0.00334  -0.01826  -0.02119  -3.09352
   D258      -0.02526   0.00076   0.00141   0.00873   0.01051  -0.01475
   D259      -0.06361   0.00204   0.00415   0.02238   0.02641  -0.03720
   D260      -3.06096  -0.00071  -0.00150  -0.00823  -0.01003  -3.07099
   D261      -3.11116  -0.00051  -0.00078  -0.00506  -0.00564  -3.11680
   D262       0.17468  -0.00326  -0.00644  -0.03567  -0.04209   0.13259
   D263       0.09501  -0.00220  -0.00449  -0.02300  -0.02723   0.06779
   D264      -3.10001  -0.00113  -0.00233  -0.01247  -0.01495  -3.11496
   D265      -3.03352  -0.00135  -0.00289  -0.01442  -0.01672  -3.05024
   D266       0.05465  -0.00028  -0.00073  -0.00389  -0.00445   0.05020
   D267       0.05087  -0.00076  -0.00156  -0.00746  -0.00862   0.04225
   D268      -3.06715  -0.00114  -0.00207  -0.01179  -0.01358  -3.08073
   D269      -3.04063  -0.00133  -0.00280  -0.01472  -0.01746  -3.05810
   D270       0.12454  -0.00171  -0.00332  -0.01906  -0.02243   0.10211
   D271      -0.09433   0.00222   0.00439   0.02354   0.02789  -0.06644
   D272       3.03974   0.00109   0.00208   0.01075   0.01279   3.05253
   D273       3.02373   0.00257   0.00486   0.02773   0.03270   3.05643
   D274      -0.12539   0.00144   0.00255   0.01493   0.01760  -0.10779
   D275       0.08464  -0.00188  -0.00400  -0.01997  -0.02379   0.06085
   D276       3.10515   0.00143   0.00264   0.01436   0.01633   3.12148
   D277      -2.93261  -0.00348  -0.00705  -0.03920  -0.04652  -2.97912
   D278       0.08790  -0.00017  -0.00041  -0.00487  -0.00640   0.08150
   D279      -0.08030   0.00149   0.00290   0.01588   0.01903  -0.06127
   D280       2.97880   0.00314   0.00605   0.03369   0.03998   3.01878
   D281      -3.10673  -0.00096  -0.00207  -0.01250  -0.01547  -3.12220
   D282      -0.04763   0.00069   0.00108   0.00531   0.00548  -0.04215
   D283      -0.02301   0.00001  -0.00003  -0.00052  -0.00055  -0.02356
   D284       3.06865   0.00049   0.00102   0.00540   0.00656   3.07521
   D285      -3.08473  -0.00137  -0.00281  -0.01650  -0.01971  -3.10444
   D286       0.00693  -0.00089  -0.00176  -0.01058  -0.01260  -0.00567
   D287       0.06308  -0.00262  -0.00545  -0.02850  -0.03310   0.02998
   D288      -3.13958  -0.00138  -0.00316  -0.01391  -0.01626   3.12734
   D289       3.07329   0.00102   0.00228   0.01168   0.01497   3.08826
   D290      -0.12937   0.00226   0.00457   0.02627   0.03181  -0.09756
   D291       0.02922  -0.00231  -0.00454  -0.02143  -0.02439   0.00484
   D292       3.12011   0.00002  -0.00004   0.00232   0.00274   3.12285
   D293      -3.05120  -0.00348  -0.00670  -0.03563  -0.04088  -3.09208
   D294       0.03969  -0.00115  -0.00220  -0.01188  -0.01376   0.02593
   D295      -0.19618   0.00571   0.01156   0.06479   0.07706  -0.11912
   D296      -3.12230   0.00098   0.00159   0.00789   0.00760  -3.11470
   D297       2.99594   0.00343   0.00716   0.04133   0.05017   3.04612
   D298       0.06982  -0.00130  -0.00281  -0.01556  -0.01929   0.05053
   D299       2.32418  -0.01460   0.07106  -0.06603   0.00411   2.32829
   D300       0.06470   0.00229   0.04662  -0.00416   0.04576   0.11046
   D301      -1.91207  -0.02414   0.01054  -0.17121  -0.16306  -2.07513
   D302       1.33042  -0.00404  -0.01248  -0.03708  -0.04636   1.28406
   D303      -2.76321  -0.01128  -0.01008  -0.06463  -0.08020  -2.84341
   D304      -0.67044   0.01293   0.01744   0.07302   0.09275  -0.57769
   D305      -2.70455  -0.00225  -0.01408  -0.01666  -0.03071  -2.73527
   D306      -0.62161  -0.00020  -0.00400  -0.02139  -0.02465  -0.64626
   D307       1.45821  -0.00312  -0.00012  -0.02758  -0.02847   1.42974
   D308      -3.05612  -0.00593  -0.00989  -0.05476  -0.06516  -3.12128
   D309      -1.02843  -0.00107   0.00016  -0.01284  -0.01240  -1.04083
   D310       1.04673   0.00086   0.00248  -0.00161   0.00109   1.04782
   D311      -2.85705  -0.00904   0.03089  -0.03602  -0.00511  -2.86217
   D312      -0.73950  -0.01051   0.02774  -0.04966  -0.02215  -0.76165
   D313       1.29117  -0.00624   0.03421  -0.01256   0.02168   1.31286
   D314       1.27835   0.00872  -0.02816   0.03363   0.00573   1.28408
   D315      -2.88728   0.00725  -0.03132   0.01999  -0.01131  -2.89859
   D316      -0.85661   0.01151  -0.02484   0.05709   0.03252  -0.82408
   D317      -0.78264  -0.00254  -0.00604  -0.02667  -0.03277  -0.81541
   D318       1.33491  -0.00401  -0.00919  -0.04032  -0.04980   1.28510
   D319      -2.91760   0.00026  -0.00272  -0.00321  -0.00597  -2.92357
   D320      -0.91613   0.00437  -0.05326   0.01853  -0.03471  -0.95084
   D321       1.16902   0.00206  -0.03589  -0.00463  -0.04086   1.12816
   D322      -3.00103   0.00711  -0.04516   0.03841  -0.00644  -3.00747
   D323      -2.70168   0.00021   0.00076   0.00023   0.00132  -2.70036
   D324      -0.63276   0.00077   0.00231   0.00642   0.00888  -0.62389
   D325       1.40474   0.00357   0.00734   0.03225   0.03954   1.44428
   D326       1.58454  -0.00547  -0.01172  -0.05514  -0.06674   1.51780
   D327      -2.62973  -0.00491  -0.01017  -0.04895  -0.05918  -2.68892
   D328      -0.59223  -0.00211  -0.00514  -0.02313  -0.02852  -0.62075
   D329      -0.60778  -0.00107  -0.00186  -0.01384  -0.01559  -0.62337
   D330       1.46113  -0.00051  -0.00031  -0.00765  -0.00803   1.45310
   D331      -2.78455   0.00229   0.00472   0.01818   0.02263  -2.76192
         Item               Value     Threshold  Converged?
 Maximum Force            0.028559     0.000450     NO 
 RMS     Force            0.005329     0.000300     NO 
 Maximum Displacement     0.653512     0.001800     NO 
 RMS     Displacement     0.162563     0.001200     NO 
 Predicted change in Energy=-6.115716D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.445560    3.278024    0.097474
      2          6           0       -2.692916    1.906109   -0.000496
      3          6           0       -1.645661    0.984504   -0.034731
      4          6           0       -0.323420    1.466387   -0.101102
      5          6           0       -0.081971    2.833813    0.064619
      6          6           0       -1.120700    3.737372    0.187525
      7          6           0       -1.882450   -0.452519   -0.144967
      8          6           0       -0.786925   -1.358778   -0.302514
      9          6           0        0.563315   -0.874637   -0.176428
     10          6           0        0.796194    0.556354   -0.202363
     11          6           0       -3.188617   -0.940998   -0.166953
     12          6           0       -3.456955   -2.286694   -0.398917
     13          6           0       -2.398937   -3.134092   -0.773332
     14          6           0       -1.106395   -2.672968   -0.721709
     15          7           0        1.677723   -1.678866   -0.007638
     16          6           0        2.962378   -1.106398   -0.160820
     17          6           0        3.051246    0.309660   -0.315973
     18          7           0        1.975271    1.118104   -0.303005
     19          6           0        4.148291   -1.838547   -0.337442
     20          6           0        5.376797   -1.203503   -0.408217
     21          6           0        5.465893    0.201163   -0.482041
     22          6           0        4.292701    0.931875   -0.493758
     23          7           0       -3.522833    4.169105    0.062342
     24          7           0       -4.755532   -2.781282   -0.323764
     25          7           0        6.703157    0.850411   -0.564446
     26          6           0       -5.082684   -4.055703    0.173721
     27          6           0       -6.484329   -4.203844    0.139432
     28          6           0       -7.032788   -2.976813   -0.403427
     29          6           0       -5.945436   -2.118813   -0.680908
     30          6           0       -3.589310    5.410013    0.719109
     31          6           0       -4.822802    6.018819    0.410331
     32          6           0       -5.518984    5.131451   -0.501825
     33          6           0       -4.693845    4.002682   -0.702362
     34          6           0        6.972388    2.148009   -0.081087
     35          6           0        8.310188    2.471067   -0.389912
     36          6           0        8.878174    1.346081   -1.097391
     37          6           0        7.872057    0.353764   -1.171124
     38          6           0       -8.325516   -2.601193   -0.765774
     39          6           0       -8.529231   -1.365281   -1.359835
     40          6           0       -7.439991   -0.515209   -1.589393
     41          6           0       -6.130177   -0.885282   -1.300558
     42          6           0       -4.256920   -5.020358    0.744250
     43          6           0       -4.865615   -6.183717    1.209449
     44          6           0       -6.255828   -6.347896    1.183139
     45          6           0       -7.069813   -5.368053    0.627985
     46          6           0       -6.721137    5.238572   -1.195025
     47          6           0       -7.042828    4.272434   -2.142201
     48          6           0       -6.183570    3.191138   -2.379670
     49          6           0       -5.009822    3.028161   -1.648938
     50          6           0       -2.713882    5.978789    1.642108
     51          6           0       -3.014008    7.255121    2.102145
     52          6           0       -4.192500    7.919450    1.722417
     53          6           0       -5.119283    7.288017    0.907902
     54          6           0       10.154949    1.094865   -1.593100
     55          6           0       10.410012   -0.135990   -2.182468
     56          6           0        9.377714   -1.073895   -2.338480
     57          6           0        8.095896   -0.839262   -1.850747
     58          6           0        6.214838    2.960568    0.760557
     59          6           0        6.803562    4.127914    1.234028
     60          6           0        8.098597    4.511666    0.861674
     61          6           0        8.825004    3.711756   -0.011851
     62          8           0        0.272874   -3.538675    1.466650
     63         15           0        1.502086   -3.326645    0.689602
     64          8           0        2.899163   -3.527620    1.409836
     65          8           0        1.538445   -4.291048   -0.615127
     66          6           0        2.985486   -4.049971    2.783131
     67          6           0        4.312263   -3.587438    3.367055
     68          6           0        2.698883   -4.641098   -1.439483
     69          6           0        2.192580   -5.547226   -2.550384
     70          1           0       -3.705132    1.566597    0.123703
     71          1           0        0.936764    3.186681    0.066219
     72          1           0       -0.896806    4.783021    0.251817
     73          1           0       -4.006679   -0.269540    0.056062
     74          1           0       -2.596407   -4.135997   -1.104982
     75          1           0       -0.344400   -3.322919   -1.122655
     76          1           0        4.170351   -2.901510   -0.217047
     77          1           0        6.268811   -1.812596   -0.320976
     78          1           0        4.293299    2.005430   -0.643078
     79          1           0       -9.163843   -3.256397   -0.555427
     80          1           0       -9.528247   -1.045341   -1.611420
     81          1           0       -7.613043    0.461784   -2.002531
     82          1           0       -5.330684   -0.168410   -1.419818
     83          1           0       -3.209372   -4.871195    0.866297
     84          1           0       -4.232577   -6.970278    1.599486
     85          1           0       -6.696179   -7.261298    1.565051
     86          1           0       -8.142782   -5.512027    0.565456
     87          1           0       -7.358790    6.088687   -1.046899
     88          1           0       -7.971248    4.356460   -2.689788
     89          1           0       -6.454338    2.434542   -3.099284
     90          1           0       -4.327814    2.228551   -1.887354
     91          1           0       -1.850113    5.460374    2.012264
     92          1           0       -2.338808    7.733738    2.801396
     93          1           0       -4.364736    8.937807    2.057076
     94          1           0       -6.070312    7.753656    0.672018
     95          1           0       10.900945    1.874478   -1.604013
     96          1           0       11.387955   -0.346324   -2.590781
     97          1           0        9.556275   -1.980310   -2.898241
     98          1           0        7.309826   -1.551313   -2.039703
     99          1           0        5.230617    2.671773    1.109681
    100          1           0        6.219457    4.775957    1.879344
    101          1           0        8.521063    5.439109    1.236932
    102          1           0        9.834779    3.985878   -0.286194
    103          1           0        2.187171   -3.694064    3.419678
    104          1           0        2.909402   -5.133465    2.708161
    105          1           0        4.549625   -4.172497    4.259538
    106          1           0        5.118844   -3.703025    2.654327
    107          1           0        4.251474   -2.530808    3.623895
    108          1           0        3.124369   -3.727883   -1.859295
    109          1           0        3.437195   -5.137371   -0.811657
    110          1           0        2.982386   -6.194015   -2.927886
    111          1           0        1.393189   -6.190755   -2.162158
    112          1           0        1.775409   -4.967201   -3.367373
    113         17           0        1.467757   -0.796963    3.895223
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0367089           0.0183846           0.0134733
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10628.2367775786 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.80D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999959    0.002432   -0.001546    0.008624 Ang=   1.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3LYP) =  -3613.41986772     A.U. after   29 cycles
            NFock= 29  Conv=0.26D-08     -V/T= 2.0080
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000209264   -0.004202732   -0.002268500
      2        6           0.003267870    0.005410800    0.014915807
      3        6           0.003308706    0.000218545   -0.006681817
      4        6          -0.005948453   -0.003260006    0.008915975
      5        6          -0.004967672    0.006414937   -0.002223719
      6        6           0.003957949   -0.007929406   -0.008164360
      7        6           0.001313758    0.001840591   -0.001545765
      8        6           0.000561166    0.003200340   -0.006289685
      9        6           0.001007205    0.004423807    0.008065338
     10        6          -0.009287925   -0.003581197    0.000930645
     11        6           0.000664709    0.001297504    0.004160122
     12        6          -0.003073084    0.001268186   -0.001691034
     13        6           0.003931368    0.005995718    0.001989842
     14        6          -0.000673543   -0.002582715   -0.004767152
     15        7           0.002072818    0.003201049   -0.007796247
     16        6          -0.005374503    0.000356947   -0.011385325
     17        6           0.003956193   -0.003208504   -0.000124554
     18        7           0.003399585   -0.003970101    0.002578482
     19        6           0.004721185    0.004332643    0.015273215
     20        6          -0.001962675   -0.003615946    0.003869467
     21        6           0.003477072    0.002779448   -0.003776130
     22        6           0.003505209    0.003027611   -0.002067032
     23        7          -0.001489216    0.001266336    0.002304002
     24        7           0.000845302   -0.000283640   -0.000083596
     25        7           0.000166097   -0.000415987   -0.000788073
     26        6          -0.002302772    0.004648059    0.003890623
     27        6          -0.002439767    0.002405002   -0.001107117
     28        6           0.001527598   -0.005808093   -0.006855088
     29        6           0.005160317   -0.003949334   -0.000502724
     30        6          -0.003568742   -0.008810719    0.004283815
     31        6          -0.001826236    0.000050525   -0.007459238
     32        6           0.000586078    0.001338589    0.004811350
     33        6           0.005946861    0.005334159   -0.000032131
     34        6           0.006138699   -0.007872718    0.007682546
     35        6          -0.004216319    0.005519902   -0.010354055
     36        6          -0.001196987    0.000753242    0.007095133
     37        6          -0.003885979    0.005342951   -0.001513862
     38        6          -0.002556854   -0.002349448    0.004474786
     39        6           0.003892632    0.002127940    0.002443503
     40        6          -0.000627704   -0.001116334   -0.003244483
     41        6          -0.005555008    0.004537635    0.009597673
     42        6          -0.011285523   -0.006160755    0.000227458
     43        6           0.001796285    0.001421260    0.002263682
     44        6           0.000776477   -0.004644502   -0.005014918
     45        6          -0.002361269   -0.002493908    0.001396525
     46        6           0.003888945   -0.003208836   -0.006200499
     47        6          -0.002015594   -0.001089170    0.002475954
     48        6          -0.002267793   -0.000605234    0.006748007
     49        6          -0.000663096    0.003871042   -0.004492950
     50        6          -0.002998427    0.004726463   -0.000630303
     51        6          -0.002911331    0.002260290    0.002831984
     52        6           0.003128542    0.003599720    0.001088236
     53        6          -0.003276310   -0.001213347   -0.000194425
     54        6          -0.002518424   -0.001887580   -0.005420661
     55        6          -0.002639308   -0.001737613   -0.004579908
     56        6           0.000925131    0.002479207   -0.000862004
     57        6           0.003274902   -0.001162638   -0.002474839
     58        6          -0.002012306    0.000429726    0.003816108
     59        6          -0.004026227    0.005131792    0.000633916
     60        6          -0.003691978    0.001506196   -0.006015337
     61        6           0.008749822   -0.002019695    0.011096084
     62        8           0.001852157    0.002584782   -0.002661349
     63       15           0.000662588   -0.014569788    0.007055025
     64        8          -0.004541328    0.000423091    0.001667158
     65        8           0.007421762    0.004615242   -0.001457440
     66        6           0.012026383   -0.000626730    0.009257540
     67        6          -0.004998576    0.000580201   -0.002523952
     68        6          -0.009798430   -0.000022597   -0.000157142
     69        6          -0.005772983   -0.004511492    0.006915847
     70        1          -0.004012331   -0.000001841   -0.003433025
     71        1           0.002806152    0.000499626    0.000577716
     72        1          -0.000886825    0.007184570    0.000125374
     73        1           0.002449962   -0.003275579    0.000973728
     74        1          -0.000759060   -0.005037711   -0.003082288
     75        1           0.002498993    0.000151487    0.002585361
     76        1          -0.000425421   -0.003956068   -0.000673942
     77        1          -0.001401562    0.001488025   -0.002926054
     78        1          -0.000977900   -0.002971814    0.000132239
     79        1          -0.000489412   -0.001473838   -0.000742768
     80        1          -0.004076772    0.001125266   -0.001621627
     81        1          -0.002505581    0.006466913   -0.003752496
     82        1           0.000740760   -0.002172675   -0.006135837
     83        1           0.012486493    0.001994419   -0.000312007
     84        1           0.000297791   -0.001245310    0.003801729
     85        1          -0.000212248   -0.001358388    0.000321748
     86        1          -0.001506424    0.000779550    0.002266901
     87        1          -0.006799647    0.006180264    0.001485482
     88        1          -0.002240219   -0.000608117   -0.002405187
     89        1          -0.000461437   -0.001921529   -0.005656949
     90        1           0.001546672   -0.003400674    0.000558157
     91        1           0.006187016   -0.001741706    0.000774305
     92        1           0.001413937    0.001173558    0.000385991
     93        1          -0.001272183   -0.001256464    0.002481128
     94        1          -0.000004639    0.002010506   -0.001308168
     95        1           0.004581667    0.002813417    0.004007880
     96        1           0.003361064   -0.000585134   -0.001076034
     97        1           0.002897451   -0.003927723   -0.000026944
     98        1          -0.001237696   -0.002455323   -0.000169332
     99        1           0.000365425    0.001332339   -0.001248554
    100        1           0.000831162   -0.000518432    0.002404627
    101        1          -0.000724011   -0.000117907   -0.001176137
    102        1           0.002970792    0.001147897   -0.001378138
    103        1          -0.011237313    0.006669075   -0.004318228
    104        1           0.002435759   -0.003563584   -0.001965998
    105        1          -0.001116508    0.000682428    0.001060377
    106        1           0.006952652   -0.003848939   -0.004967206
    107        1          -0.002446038    0.001735444    0.002754537
    108        1           0.001832462    0.000093824    0.000633774
    109        1           0.001574458   -0.000470149    0.002925198
    110        1           0.003500893    0.000839808   -0.002435856
    111        1           0.002963416    0.000439072   -0.000001344
    112        1          -0.001682426    0.001619557   -0.004622079
    113       17           0.002810907   -0.002328853   -0.006168488
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.015273215 RMS     0.004133569

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.028886405 RMS     0.003571560
 Search for a local minimum.
 Step number   6 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    5    6
 DE= -4.28D-02 DEPred=-6.12D-02 R= 7.00D-01
 TightC=F SS=  1.41D+00  RLast= 7.95D-01 DXNew= 8.4853D-01 2.3855D+00
 Trust test= 7.00D-01 RLast= 7.95D-01 DXMaxT set to 8.49D-01
 ITU=  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00259   0.00641   0.00985   0.01138   0.01304
     Eigenvalues ---    0.01345   0.01694   0.01731   0.02213   0.02449
     Eigenvalues ---    0.02487   0.02536   0.02559   0.02580   0.02600
     Eigenvalues ---    0.02612   0.02644   0.02675   0.02685   0.02688
     Eigenvalues ---    0.02701   0.02706   0.02709   0.02723   0.02732
     Eigenvalues ---    0.02744   0.02748   0.02754   0.02770   0.02793
     Eigenvalues ---    0.02795   0.02797   0.02806   0.02808   0.02815
     Eigenvalues ---    0.02817   0.02826   0.02828   0.02852   0.02855
     Eigenvalues ---    0.02867   0.02870   0.02874   0.02878   0.02887
     Eigenvalues ---    0.02898   0.02900   0.02905   0.02911   0.02915
     Eigenvalues ---    0.02917   0.02919   0.02929   0.02930   0.02936
     Eigenvalues ---    0.02936   0.02942   0.02945   0.02950   0.02953
     Eigenvalues ---    0.02955   0.02957   0.02958   0.02963   0.02965
     Eigenvalues ---    0.02967   0.02976   0.02977   0.02981   0.02983
     Eigenvalues ---    0.02994   0.02999   0.03005   0.03006   0.03008
     Eigenvalues ---    0.03016   0.03023   0.03026   0.03037   0.03044
     Eigenvalues ---    0.03064   0.03066   0.03076   0.03088   0.03090
     Eigenvalues ---    0.03114   0.03117   0.03121   0.03124   0.03151
     Eigenvalues ---    0.03168   0.03183   0.03188   0.03190   0.03193
     Eigenvalues ---    0.03234   0.03245   0.03259   0.03269   0.03288
     Eigenvalues ---    0.03564   0.05602   0.05608   0.05663   0.05878
     Eigenvalues ---    0.05913   0.06001   0.06103   0.06827   0.08779
     Eigenvalues ---    0.10012   0.11204   0.11647   0.12705   0.13505
     Eigenvalues ---    0.14660   0.15647   0.15768   0.15791   0.15839
     Eigenvalues ---    0.15900   0.15905   0.15915   0.15925   0.15940
     Eigenvalues ---    0.15955   0.15957   0.15964   0.15967   0.15975
     Eigenvalues ---    0.15977   0.15981   0.15983   0.15987   0.15988
     Eigenvalues ---    0.15989   0.15989   0.15992   0.15994   0.15995
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16004   0.16031   0.16086
     Eigenvalues ---    0.18416   0.19907   0.21354   0.21879   0.21972
     Eigenvalues ---    0.21977   0.21987   0.21989   0.21994   0.22022
     Eigenvalues ---    0.22243   0.22341   0.22406   0.22487   0.22549
     Eigenvalues ---    0.22575   0.22580   0.22595   0.22613   0.23170
     Eigenvalues ---    0.23416   0.23512   0.23907   0.24157   0.24211
     Eigenvalues ---    0.24216   0.24297   0.24325   0.24384   0.24388
     Eigenvalues ---    0.24452   0.24465   0.24542   0.24593   0.24757
     Eigenvalues ---    0.24767   0.24783   0.24810   0.24864   0.24893
     Eigenvalues ---    0.24901   0.24932   0.24938   0.24953   0.24961
     Eigenvalues ---    0.24980   0.24984   0.24986   0.24989   0.24994
     Eigenvalues ---    0.25316   0.25493   0.26385   0.26814   0.27646
     Eigenvalues ---    0.28163   0.28445   0.28760   0.28851   0.29130
     Eigenvalues ---    0.29330   0.29605   0.29841   0.30308   0.30613
     Eigenvalues ---    0.30662   0.30731   0.30901   0.30964   0.31129
     Eigenvalues ---    0.31251   0.31359   0.31384   0.31441   0.31545
     Eigenvalues ---    0.32061   0.32155   0.32227   0.32495   0.33131
     Eigenvalues ---    0.33521   0.33538   0.33905   0.33974   0.34217
     Eigenvalues ---    0.34497   0.34669   0.34937   0.34973   0.35154
     Eigenvalues ---    0.35456   0.35581   0.36378   0.36689   0.36787
     Eigenvalues ---    0.37151   0.37310   0.38827   0.41495   0.41597
     Eigenvalues ---    0.41930   0.42068   0.42585   0.43298   0.43478
     Eigenvalues ---    0.44099   0.45167   0.46323   0.46988   0.47064
     Eigenvalues ---    0.47070   0.47617   0.47844   0.48445   0.49903
     Eigenvalues ---    0.50255   0.50433   0.50553   0.50916   0.51607
     Eigenvalues ---    0.51687   0.51965   0.52101   0.52392   0.52935
     Eigenvalues ---    0.53078   0.53203   0.53740   0.54193   0.54280
     Eigenvalues ---    0.54621   0.55126   0.55232   0.55525   0.55645
     Eigenvalues ---    0.55970   0.56116   0.56184   0.56239   0.56421
     Eigenvalues ---    0.56617   0.56792   0.56966   0.57276   0.57349
     Eigenvalues ---    0.57608   0.58213   0.58232   0.58273   0.58338
     Eigenvalues ---    0.58515   0.58576   0.58772   0.59019   0.59424
     Eigenvalues ---    0.59648   0.59749   0.59813   0.60176   0.60719
     Eigenvalues ---    0.60883   0.61845   0.62491   0.63031   0.63560
     Eigenvalues ---    0.63801   0.64322   0.65744   0.66244   0.66871
     Eigenvalues ---    0.67947   0.68861   0.72091   0.73421   0.74573
     Eigenvalues ---    0.80303   0.82661   0.86570
 RFO step:  Lambda=-2.95969910D-02 EMin= 2.59443130D-03
 Quartic linear search produced a step of -0.03824.
 Iteration  1 RMS(Cart)=  0.19070708 RMS(Int)=  0.00603270
 Iteration  2 RMS(Cart)=  0.01362379 RMS(Int)=  0.00013268
 Iteration  3 RMS(Cart)=  0.00008200 RMS(Int)=  0.00012977
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00012977
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64084   0.00199   0.00087   0.00114   0.00205   2.64290
    R2        2.65529   0.00282   0.00103   0.00179   0.00286   2.65815
    R3        2.64277   0.01187   0.00025   0.01492   0.01517   2.65793
    R4        2.63701   0.00944   0.00057   0.01230   0.01287   2.64988
    R5        2.03115   0.00305   0.00118   0.00515   0.00634   2.03749
    R6        2.66239   0.00200   0.00194   0.00058   0.00248   2.66487
    R7        2.76007   0.00755   0.00026   0.01103   0.01132   2.77139
    R8        2.64266   0.00711   0.00085   0.00838   0.00920   2.65185
    R9        2.73322   0.01279   0.00120   0.01647   0.01765   2.75087
   R10        2.61198   0.00103   0.00091  -0.00026   0.00065   2.61263
   R11        2.03735   0.00271   0.00055   0.00548   0.00604   2.04339
   R12        2.02443   0.00709   0.00130   0.01596   0.01726   2.04169
   R13        2.70323   0.00333   0.00074   0.00282   0.00359   2.70682
   R14        2.63559   0.00741   0.00051   0.01002   0.01051   2.64610
   R15        2.72110   0.00022   0.00039   0.00044   0.00081   2.72191
   R16        2.67574   0.00187   0.00087   0.00036   0.00126   2.67699
   R17        2.74019  -0.00272   0.00173  -0.00610  -0.00438   2.73581
   R18        2.61656   0.00732  -0.00017   0.00869   0.00861   2.62517
   R19        2.47541   0.01085   0.00216   0.00723   0.00930   2.48471
   R20        2.62985   0.00661   0.00104   0.00778   0.00879   2.63864
   R21        2.04389  -0.00355   0.00008  -0.00721  -0.00714   2.03676
   R22        2.65752   0.00390   0.00119   0.00354   0.00471   2.66223
   R23        2.62976   0.01104   0.00107   0.01196   0.01303   2.64279
   R24        2.59517   0.00063   0.00090  -0.00093  -0.00002   2.59515
   R25        2.02897   0.00572   0.00114   0.01268   0.01382   2.04279
   R26        2.03865   0.00091   0.00012   0.00164   0.00176   2.04042
   R27        2.67349   0.00217  -0.00077   0.00337   0.00269   2.67618
   R28        3.39739   0.00923  -0.00109   0.02955   0.02846   3.42585
   R29        2.69721  -0.00160   0.00066  -0.00247  -0.00182   2.69539
   R30        2.65480   0.00236  -0.00001   0.00264   0.00260   2.65740
   R31        2.54340   0.00997   0.00112   0.00871   0.00974   2.55315
   R32        2.64560   0.00992   0.00116   0.01194   0.01311   2.65871
   R33        2.61679   0.00178   0.00084   0.00081   0.00164   2.61843
   R34        2.02198   0.00370   0.00113   0.00689   0.00802   2.03000
   R35        2.66343   0.00406   0.00174   0.00302   0.00477   2.66819
   R36        2.04780  -0.00216  -0.00034  -0.00323  -0.00357   2.04423
   R37        2.61197   0.00595   0.00109   0.00723   0.00834   2.62030
   R38        2.64503   0.00879   0.00125   0.00986   0.01111   2.65614
   R39        2.04825  -0.00279  -0.00019  -0.00483  -0.00501   2.04324
   R40        2.65613   0.00471   0.00079   0.00570   0.00649   2.66263
   R41        2.66159   0.00402   0.00102   0.00444   0.00547   2.66706
   R42        2.65819   0.00814   0.00101   0.01049   0.01148   2.66967
   R43        2.66062   0.00592   0.00067   0.00728   0.00797   2.66859
   R44        2.66571   0.00553   0.00092   0.00643   0.00736   2.67306
   R45        2.65978   0.00531   0.00088   0.00593   0.00685   2.66663
   R46        2.66427   0.00418   0.00157   0.00370   0.00526   2.66953
   R47        2.63069   0.00668   0.00102   0.00747   0.00849   2.63918
   R48        2.73920  -0.00092   0.00089  -0.00298  -0.00209   2.73711
   R49        2.62995   0.00586   0.00097   0.00617   0.00716   2.63711
   R50        2.66946   0.00436   0.00060   0.00485   0.00550   2.67496
   R51        2.63448   0.00363   0.00139   0.00278   0.00412   2.63860
   R52        2.63188   0.00741   0.00123   0.00826   0.00957   2.64145
   R53        2.66411   0.00504   0.00083   0.00590   0.00673   2.67083
   R54        2.63331   0.00650   0.00142   0.00695   0.00835   2.64166
   R55        2.74116  -0.00266   0.00137  -0.00555  -0.00418   2.73698
   R56        2.63638   0.00424   0.00080   0.00472   0.00554   2.64192
   R57        2.66926   0.00432   0.00100   0.00468   0.00565   2.67491
   R58        2.63016   0.00651   0.00057   0.00837   0.00891   2.63907
   R59        2.63584   0.00446   0.00101   0.00463   0.00565   2.64148
   R60        2.66542   0.00432   0.00119   0.00451   0.00564   2.67106
   R61        2.63378   0.00676   0.00131   0.00741   0.00880   2.64258
   R62        2.73111   0.00046   0.00080   0.00008   0.00087   2.73198
   R63        2.63701   0.00351   0.00119   0.00317   0.00426   2.64127
   R64        2.67408   0.00236   0.00158   0.00087   0.00245   2.67653
   R65        2.63140   0.00555   0.00075   0.00658   0.00734   2.63874
   R66        2.62890   0.00852   0.00116   0.01161   0.01275   2.64165
   R67        2.61977   0.00520   0.00058   0.00579   0.00630   2.62606
   R68        2.04957   0.00118   0.00002   0.00250   0.00253   2.05210
   R69        2.64680   0.00101   0.00122  -0.00085   0.00035   2.64716
   R70        2.03853   0.00446   0.00110   0.00853   0.00964   2.04817
   R71        2.62936   0.00348   0.00072   0.00366   0.00443   2.63379
   R72        2.03103   0.00786   0.00085   0.01886   0.01971   2.05075
   R73        2.04171  -0.00020   0.00062  -0.00177  -0.00114   2.04056
   R74        2.63230   0.00298   0.00073   0.00292   0.00364   2.63594
   R75        2.01280   0.01249   0.00236   0.03054   0.03291   2.04571
   R76        2.64585   0.00168   0.00052   0.00137   0.00187   2.64771
   R77        2.04540   0.00241   0.00027   0.00503   0.00530   2.05070
   R78        2.62588   0.00248   0.00097   0.00163   0.00261   2.62848
   R79        2.04760   0.00137   0.00029   0.00245   0.00274   2.05035
   R80        2.04920   0.00119   0.00012   0.00234   0.00246   2.05166
   R81        2.62804   0.00104   0.00078  -0.00003   0.00075   2.62879
   R82        2.02760   0.00928   0.00155   0.02206   0.02361   2.05121
   R83        2.64826   0.00108   0.00035   0.00078   0.00115   2.64941
   R84        2.04307   0.00316   0.00035   0.00682   0.00718   2.05024
   R85        2.63087   0.00377   0.00037   0.00439   0.00479   2.63566
   R86        2.03845   0.00511   0.00096   0.01075   0.01171   2.05016
   R87        2.03648   0.00325   0.00076   0.00638   0.00714   2.04362
   R88        2.62579   0.00422   0.00033   0.00535   0.00567   2.63146
   R89        2.02815   0.00626   0.00123   0.01355   0.01478   2.04293
   R90        2.65530  -0.00042   0.00128  -0.00258  -0.00130   2.65400
   R91        2.04747   0.00169   0.00032   0.00299   0.00331   2.05079
   R92        2.61921   0.00430   0.00112   0.00370   0.00483   2.62404
   R93        2.05165  -0.00013  -0.00007  -0.00019  -0.00025   2.05139
   R94        2.05009   0.00089   0.00007   0.00179   0.00186   2.05195
   R95        2.62353   0.00353   0.00043   0.00388   0.00434   2.62787
   R96        2.03918   0.00475   0.00106   0.00946   0.01053   2.04970
   R97        2.65212  -0.00124   0.00116  -0.00330  -0.00212   2.65000
   R98        2.04172   0.00355   0.00052   0.00731   0.00783   2.04955
   R99        2.62936   0.00370   0.00036   0.00470   0.00505   2.63442
   R100       2.04126   0.00404   0.00059   0.00858   0.00918   2.05044
   R101       2.03585   0.00267   0.00068   0.00514   0.00582   2.04167
   R102       2.62765   0.00335   0.00094   0.00313   0.00417   2.63182
   R103       2.04753  -0.00125   0.00009  -0.00283  -0.00274   2.04478
   R104       2.64766   0.00213   0.00055   0.00196   0.00254   2.65020
   R105       2.05065   0.00062  -0.00018   0.00170   0.00152   2.05217
   R106       2.62568   0.00179   0.00081   0.00107   0.00181   2.62748
   R107       2.05229  -0.00067   0.00034  -0.00223  -0.00189   2.05040
   R108       2.04410   0.00345   0.00019   0.00791   0.00810   2.05220
   R109       2.77714  -0.00355   0.00081  -0.00460  -0.00379   2.77335
   R110       2.99446  -0.00238   0.00293  -0.00550  -0.00257   2.99189
   R111       3.06678  -0.00302   0.00346  -0.01573  -0.01226   3.05452
   R112       2.78133  -0.00574  -0.00133   0.00215   0.00083   2.78215
   R113       2.77005  -0.00749  -0.00021  -0.01370  -0.01392   2.75614
   R114       2.87539  -0.00299  -0.00039  -0.00608  -0.00648   2.86891
   R115       2.04332   0.00133   0.00169   0.00789   0.00959   2.05291
   R116       2.05743   0.00375   0.00089   0.00754   0.00843   2.06586
   R117       2.06591   0.00023  -0.00017   0.00089   0.00072   2.06663
   R118       2.04572   0.00863   0.00181   0.02031   0.02212   2.06784
   R119       2.05809   0.00265   0.00054   0.00539   0.00593   2.06402
   R120       2.87308   0.00144  -0.00019   0.00392   0.00373   2.87681
   R121       2.06252   0.00031   0.00042   0.00019   0.00062   2.06314
   R122       2.05760   0.00302   0.00042   0.00640   0.00682   2.06442
   R123       2.05680   0.00317   0.00060   0.00661   0.00721   2.06400
   R124       2.07343  -0.00218  -0.00020  -0.00418  -0.00437   2.06906
   R125       2.05097   0.00504   0.00090   0.01112   0.01202   2.06299
   R126       5.71213  -0.00393   0.00143  -0.08345  -0.08202   5.63011
    A1        2.08554  -0.00372  -0.00240  -0.00633  -0.00873   2.07681
    A2        2.07992   0.00475   0.00112   0.01211   0.01321   2.09312
    A3        2.11721  -0.00102   0.00128  -0.00550  -0.00424   2.11297
    A4        2.11442   0.00318   0.00225   0.00677   0.00871   2.12313
    A5        2.05860  -0.00289  -0.00213  -0.00389  -0.00631   2.05229
    A6        2.09552   0.00013  -0.00044   0.00461   0.00390   2.09942
    A7        2.07099  -0.00103  -0.00050  -0.00014  -0.00079   2.07019
    A8        2.12937   0.00372   0.00058   0.00799   0.00859   2.13796
    A9        2.07729  -0.00259  -0.00013  -0.00623  -0.00635   2.07095
   A10        2.08393  -0.00246  -0.00152  -0.00200  -0.00375   2.08017
   A11        2.11132   0.00020   0.00002   0.00208   0.00202   2.11334
   A12        2.08275   0.00240   0.00140   0.00262   0.00400   2.08676
   A13        2.11765   0.00177   0.00103   0.00328   0.00420   2.12185
   A14        2.07529  -0.00164   0.00143  -0.01062  -0.00916   2.06613
   A15        2.08980  -0.00011  -0.00247   0.00766   0.00522   2.09503
   A16        2.08194   0.00260   0.00081   0.00531   0.00604   2.08798
   A17        2.11764  -0.00277   0.00161  -0.01425  -0.01270   2.10494
   A18        2.07870   0.00027  -0.00255   0.01113   0.00853   2.08722
   A19        2.10304  -0.00093  -0.00051  -0.00161  -0.00216   2.10088
   A20        2.09164   0.00476   0.00131   0.01128   0.01255   2.10419
   A21        2.08703  -0.00379  -0.00083  -0.00881  -0.00967   2.07736
   A22        2.08918   0.00394   0.00179   0.00543   0.00710   2.09628
   A23        2.03512   0.00143   0.00036   0.00258   0.00296   2.03808
   A24        2.15263  -0.00524  -0.00220  -0.00587  -0.00814   2.14448
   A25        2.07240  -0.00149  -0.00131  -0.00642  -0.00791   2.06449
   A26        2.17742  -0.00190   0.00168  -0.00434  -0.00270   2.17472
   A27        2.03322   0.00339  -0.00040   0.01100   0.01075   2.04397
   A28        2.08903   0.00066   0.00039   0.00016   0.00049   2.08953
   A29        2.01786   0.00930   0.00089   0.02293   0.02386   2.04172
   A30        2.17625  -0.00996  -0.00128  -0.02307  -0.02434   2.15191
   A31        2.11985   0.00333   0.00196   0.00735   0.00929   2.12914
   A32        2.08021  -0.00029  -0.00100   0.00249   0.00151   2.08172
   A33        2.08155  -0.00305  -0.00098  -0.00994  -0.01091   2.07064
   A34        2.07371  -0.00437  -0.00236  -0.00647  -0.00885   2.06486
   A35        2.11133   0.00597   0.00205   0.01288   0.01492   2.12625
   A36        2.09702  -0.00158   0.00031  -0.00606  -0.00575   2.09126
   A37        2.08951   0.00227   0.00157   0.00205   0.00364   2.09315
   A38        2.10152  -0.00129  -0.00011  -0.00400  -0.00412   2.09740
   A39        2.09214  -0.00098  -0.00146   0.00192   0.00044   2.09258
   A40        2.13546   0.00107  -0.00074   0.00296   0.00217   2.13763
   A41        2.10580  -0.00252   0.00433  -0.02005  -0.01587   2.08992
   A42        2.03591   0.00164  -0.00366   0.01992   0.01614   2.05205
   A43        2.07443   0.00298   0.00153  -0.00288  -0.00174   2.07269
   A44        2.09555  -0.00592   0.00051  -0.01145  -0.01167   2.08388
   A45        2.09621   0.00213  -0.00175   0.00277   0.00028   2.09649
   A46        2.05982  -0.00063   0.00019   0.00084   0.00109   2.06091
   A47        2.17640   0.00200  -0.00026   0.00531   0.00489   2.18129
   A48        2.03848  -0.00101  -0.00022  -0.00067  -0.00155   2.03693
   A49        2.14732  -0.00435  -0.00104  -0.01055  -0.01150   2.13582
   A50        2.10593  -0.00012  -0.00071   0.00242   0.00141   2.10735
   A51        2.02993   0.00447   0.00175   0.00814   0.01002   2.03996
   A52        2.05187   0.00832   0.00117   0.02026   0.02126   2.07314
   A53        2.11336   0.00236   0.00060   0.00751   0.00695   2.12030
   A54        2.11881  -0.00152  -0.00063   0.00016  -0.00117   2.11764
   A55        2.02979   0.00004  -0.00060   0.00771   0.00643   2.03623
   A56        2.11275   0.00324  -0.00025   0.01109   0.01054   2.12329
   A57        2.05828  -0.00054  -0.00250   0.00697   0.00461   2.06289
   A58        2.10873  -0.00268   0.00273  -0.01757  -0.01470   2.09402
   A59        2.06424  -0.00598  -0.00121  -0.01234  -0.01386   2.05039
   A60        2.11911  -0.00023  -0.00035  -0.00142  -0.00165   2.11745
   A61        2.09968   0.00623   0.00155   0.01398   0.01564   2.11533
   A62        2.11371   0.00244   0.00110   0.00768   0.00838   2.12210
   A63        2.04675  -0.00258   0.00179  -0.01631  -0.01450   2.03226
   A64        2.12271   0.00013  -0.00290   0.00854   0.00565   2.12836
   A65        2.19842   0.00230   0.00007   0.00614   0.00620   2.20463
   A66        2.18805   0.00243   0.00042   0.00544   0.00586   2.19391
   A67        1.89514  -0.00472  -0.00050  -0.01127  -0.01179   1.88336
   A68        2.16292   0.00224   0.00049   0.00463   0.00511   2.16803
   A69        2.22398   0.00212  -0.00023   0.00510   0.00486   2.22883
   A70        1.89594  -0.00436  -0.00026  -0.00979  -0.01003   1.88591
   A71        2.18367   0.00262  -0.00022   0.00709   0.00688   2.19054
   A72        2.20907   0.00030   0.00022  -0.00035  -0.00013   2.20894
   A73        1.88996  -0.00292   0.00001  -0.00680  -0.00680   1.88316
   A74        1.89422   0.00161  -0.00016   0.00623   0.00606   1.90028
   A75        2.25854   0.00223   0.00234   0.00020   0.00258   2.26112
   A76        2.12571  -0.00382  -0.00221  -0.00604  -0.00828   2.11743
   A77        1.87164   0.00014   0.00012  -0.00232  -0.00220   1.86944
   A78        2.09163   0.00092   0.00101   0.00216   0.00315   2.09478
   A79        2.31913  -0.00107  -0.00112   0.00004  -0.00107   2.31807
   A80        1.87179   0.00106  -0.00035   0.00219   0.00182   1.87361
   A81        2.31349  -0.00178  -0.00016  -0.00331  -0.00356   2.30993
   A82        2.09331   0.00083   0.00043   0.00295   0.00334   2.09665
   A83        1.89117   0.00156   0.00065   0.00373   0.00435   1.89552
   A84        2.26752   0.00267   0.00076   0.00552   0.00614   2.27366
   A85        2.12145  -0.00426  -0.00138  -0.00989  -0.01115   2.11031
   A86        1.89684   0.00187   0.00045   0.00595   0.00641   1.90325
   A87        2.26547   0.00137   0.00086   0.00028   0.00118   2.26666
   A88        2.11587  -0.00318  -0.00136  -0.00529  -0.00675   2.10912
   A89        1.86866   0.00043  -0.00008  -0.00005  -0.00019   1.86847
   A90        2.09519   0.00019   0.00105   0.00041   0.00136   2.09656
   A91        2.31694  -0.00054  -0.00103   0.00105  -0.00000   2.31693
   A92        1.87315  -0.00056  -0.00040  -0.00258  -0.00297   1.87018
   A93        2.31944  -0.00125   0.00013  -0.00378  -0.00361   2.31583
   A94        2.08904   0.00182   0.00027   0.00645   0.00667   2.09571
   A95        1.89039   0.00300   0.00052   0.00830   0.00883   1.89921
   A96        2.26446   0.00152   0.00074   0.00209   0.00284   2.26730
   A97        2.12038  -0.00449  -0.00131  -0.00981  -0.01114   2.10924
   A98        1.89303   0.00132   0.00036   0.00456   0.00488   1.89791
   A99        2.26461   0.00184   0.00092   0.00232   0.00334   2.26795
   A100       2.11089  -0.00295  -0.00142  -0.00335  -0.00502   2.10587
   A101       1.87722  -0.00070  -0.00043  -0.00283  -0.00320   1.87402
   A102       2.08775   0.00203   0.00143   0.00513   0.00617   2.09392
   A103       2.31817  -0.00132  -0.00101  -0.00212  -0.00295   2.31522
   A104       1.86705   0.00141   0.00037   0.00205   0.00234   1.86939
   A105       2.31182  -0.00050  -0.00000  -0.00061  -0.00064   2.31119
   A106       2.10234  -0.00085  -0.00038  -0.00052  -0.00090   2.10144
   A107       1.89713   0.00091  -0.00031   0.00329   0.00300   1.90013
   A108       2.27418   0.00212   0.00149   0.00212   0.00361   2.27780
   A109       2.10881  -0.00302  -0.00121  -0.00515  -0.00638   2.10244
   A110       2.08041   0.00043  -0.00042   0.00174   0.00122   2.08163
   A111       2.09851  -0.00039   0.00065  -0.00271  -0.00205   2.09646
   A112       2.10376  -0.00002  -0.00026   0.00143   0.00118   2.10494
   A113       2.09097   0.00154   0.00130   0.00156   0.00275   2.09372
   A114       2.09489  -0.00007  -0.00046   0.00189   0.00137   2.09626
   A115       2.09668  -0.00142  -0.00087  -0.00264  -0.00357   2.09311
   A116       2.13724  -0.00294  -0.00226  -0.00507  -0.00723   2.13001
   A117       2.08230   0.00112   0.00081   0.00197   0.00273   2.08503
   A118       2.06365   0.00182   0.00144   0.00310   0.00450   2.06814
   A119       2.04070   0.00451   0.00224   0.01060   0.01243   2.05312
   A120       2.13960  -0.00118   0.00031  -0.00175  -0.00216   2.13743
   A121       2.09117  -0.00274  -0.00295   0.00092  -0.00275   2.08842
   A122       2.04474   0.00249   0.00184   0.00405   0.00581   2.05054
   A123       2.13330  -0.00061  -0.00109   0.00094  -0.00012   2.13318
   A124       2.10419  -0.00187  -0.00075  -0.00495  -0.00566   2.09853
   A125       2.12415   0.00001  -0.00054   0.00086   0.00022   2.12437
   A126       2.06200   0.00149  -0.00137   0.01064   0.00932   2.07132
   A127       2.09703  -0.00150   0.00191  -0.01150  -0.00953   2.08749
   A128       2.10188  -0.00013  -0.00020  -0.00073  -0.00117   2.10071
   A129       2.08949  -0.00006  -0.00099   0.00333   0.00223   2.09172
   A130       2.09114   0.00026   0.00112  -0.00140  -0.00040   2.09074
   A131       2.07566   0.00063   0.00000   0.00146   0.00141   2.07707
   A132       2.10260  -0.00024   0.00114  -0.00364  -0.00248   2.10012
   A133       2.10486  -0.00038  -0.00115   0.00225   0.00112   2.10598
   A134       2.07777   0.00056   0.00072   0.00011   0.00071   2.07848
   A135       2.10079  -0.00005   0.00075  -0.00177  -0.00108   2.09971
   A136       2.10248  -0.00043  -0.00156   0.00327   0.00164   2.10412
   A137       2.10553  -0.00137  -0.00098  -0.00312  -0.00413   2.10140
   A138       2.08243   0.00163  -0.00079   0.00936   0.00852   2.09095
   A139       2.09517  -0.00025   0.00176  -0.00606  -0.00435   2.09082
   A140       2.11568   0.00153   0.00033   0.00341   0.00364   2.11932
   A141       2.09477  -0.00161  -0.00048  -0.00389  -0.00453   2.09024
   A142       2.07107   0.00019   0.00008   0.00224   0.00215   2.07323
   A143       2.05488   0.00203   0.00088   0.00433   0.00510   2.05998
   A144       2.12372  -0.00079  -0.00032  -0.00077  -0.00123   2.12249
   A145       2.09936  -0.00107  -0.00072  -0.00047  -0.00134   2.09803
   A146       2.04713   0.00225   0.00063   0.00709   0.00761   2.05474
   A147       2.13755  -0.00134   0.00211  -0.01165  -0.00950   2.12804
   A148       2.09825  -0.00092  -0.00273   0.00435   0.00166   2.09991
   A149       2.12465  -0.00016   0.00016  -0.00116  -0.00110   2.12355
   A150       2.07696  -0.00010   0.00221  -0.00626  -0.00402   2.07294
   A151       2.08085   0.00027  -0.00238   0.00775   0.00540   2.08625
   A152       2.09930   0.00002  -0.00046  -0.00031  -0.00084   2.09846
   A153       2.08659   0.00008   0.00049  -0.00010   0.00040   2.08699
   A154       2.09715  -0.00009  -0.00003   0.00055   0.00054   2.09769
   A155       2.07367   0.00112  -0.00025   0.00387   0.00356   2.07723
   A156       2.09350   0.00050  -0.00033   0.00410   0.00377   2.09727
   A157       2.11579  -0.00163   0.00060  -0.00820  -0.00760   2.10819
   A158       2.07092   0.00228   0.00129   0.00403   0.00528   2.07620
   A159       2.10266  -0.00110   0.00090  -0.00543  -0.00466   2.09800
   A160       2.10509  -0.00103  -0.00229   0.00384   0.00142   2.10651
   A161       2.09966  -0.00030  -0.00079  -0.00027  -0.00112   2.09853
   A162       2.09361   0.00034   0.00184  -0.00226  -0.00059   2.09302
   A163       2.08709   0.00008  -0.00117   0.00483   0.00349   2.09058
   A164       2.12464  -0.00044  -0.00039  -0.00135  -0.00176   2.12288
   A165       2.09070  -0.00086   0.00080  -0.00555  -0.00482   2.08588
   A166       2.06626   0.00136  -0.00046   0.00799   0.00746   2.07372
   A167       2.05341   0.00243   0.00139   0.00505   0.00642   2.05983
   A168       2.13542  -0.00070   0.00013  -0.00284  -0.00271   2.13271
   A169       2.09353  -0.00172  -0.00153  -0.00195  -0.00349   2.09004
   A170       2.05436   0.00156   0.00094   0.00366   0.00433   2.05870
   A171       2.13284  -0.00030   0.00099  -0.00341  -0.00258   2.13027
   A172       2.09283  -0.00111  -0.00212   0.00270   0.00042   2.09325
   A173       2.13033  -0.00148  -0.00116  -0.00236  -0.00371   2.12662
   A174       2.06683   0.00093   0.00086   0.00147   0.00234   2.06917
   A175       2.08518   0.00059   0.00027   0.00170   0.00198   2.08716
   A176       2.08590   0.00253   0.00170   0.00449   0.00580   2.09171
   A177       2.09628  -0.00122  -0.00066  -0.00232  -0.00290   2.09338
   A178       2.10076  -0.00128  -0.00107  -0.00166  -0.00266   2.09810
   A179       2.08209  -0.00107  -0.00208   0.00346   0.00037   2.08246
   A180       2.09555   0.00047   0.00179  -0.00150  -0.00006   2.09549
   A181       2.09624   0.00106  -0.00018   0.00659   0.00606   2.10231
   A182       2.00315  -0.00918   0.00083  -0.02735  -0.02671   1.97644
   A183       1.77868  -0.00452   0.00329  -0.00910  -0.00590   1.77278
   A184       1.80357   0.01283   0.00486   0.01195   0.01692   1.82048
   A185       2.07010   0.00201  -0.00312   0.00620   0.00299   2.07309
   A186       1.93702  -0.00128  -0.00442   0.01212   0.00795   1.94497
   A187       1.84450   0.00221  -0.00079   0.00776   0.00737   1.85187
   A188       2.11861  -0.01516  -0.00006  -0.00730  -0.00735   2.11125
   A189       2.22910   0.00649  -0.00291   0.02112   0.01820   2.24730
   A190       1.87688   0.00406   0.00025   0.00529   0.00561   1.88249
   A191       1.97053  -0.02136   0.00050  -0.05168  -0.05106   1.91946
   A192       1.85964   0.00659   0.00097  -0.00008   0.00103   1.86067
   A193       1.89421   0.00884  -0.00056   0.01927   0.01850   1.91270
   A194       1.97129  -0.00456  -0.00050  -0.00280  -0.00361   1.96768
   A195       1.89284   0.00550  -0.00064   0.02764   0.02680   1.91964
   A196       1.91764  -0.00089   0.00077  -0.01039  -0.00968   1.90796
   A197       1.94396  -0.00019  -0.00088   0.00412   0.00323   1.94719
   A198       1.91426  -0.00139  -0.00015  -0.00374  -0.00395   1.91031
   A199       1.89502   0.00009   0.00057  -0.00381  -0.00325   1.89177
   A200       1.91644  -0.00036   0.00050  -0.00942  -0.00902   1.90743
   A201       1.87595   0.00282  -0.00087   0.02371   0.02282   1.89877
   A202       1.86462   0.00145  -0.00051   0.00788   0.00733   1.87194
   A203       1.90193  -0.00081  -0.00163   0.00532   0.00359   1.90552
   A204       1.89798  -0.00084  -0.00042  -0.00520  -0.00560   1.89238
   A205       1.92564   0.00138  -0.00081   0.01345   0.01262   1.93826
   A206       1.95571  -0.00046   0.00257  -0.01134  -0.00874   1.94697
   A207       1.91644  -0.00072   0.00053  -0.00946  -0.00888   1.90756
   A208       1.94544  -0.00209   0.00115  -0.01590  -0.01475   1.93070
   A209       1.91096  -0.00000   0.00000   0.00325   0.00322   1.91418
   A210       1.93854   0.00153   0.00041   0.00555   0.00591   1.94446
   A211       1.87850   0.00095  -0.00081   0.00655   0.00575   1.88425
   A212       1.91284  -0.00085   0.00022  -0.01047  -0.01027   1.90257
   A213       1.87523   0.00054  -0.00116   0.01214   0.01092   1.88615
   A214       2.19421  -0.02889  -0.00001  -0.04088  -0.04090   2.15331
    D1       -0.02033  -0.00014   0.00012  -0.00228  -0.00218  -0.02251
    D2        2.93830   0.00247  -0.00171   0.04444   0.04263   2.98093
    D3        3.08721   0.00038  -0.00019   0.00693   0.00673   3.09394
    D4       -0.23735   0.00300  -0.00202   0.05365   0.05155  -0.18580
    D5        0.09422  -0.00108   0.00100  -0.02218  -0.02123   0.07299
    D6        3.12851   0.00010  -0.00046   0.00245   0.00191   3.13041
    D7       -3.01256  -0.00174   0.00133  -0.03194  -0.03060  -3.04316
    D8        0.02172  -0.00055  -0.00014  -0.00731  -0.00746   0.01426
    D9        2.59795  -0.00650   0.00180  -0.10201  -0.10026   2.49769
   D10       -0.61070  -0.00634   0.00143  -0.09589  -0.09448  -0.70518
   D11       -0.57834  -0.00602   0.00139  -0.09264  -0.09123  -0.66957
   D12        2.49619  -0.00585   0.00102  -0.08652  -0.08546   2.41074
   D13       -0.10746   0.00191  -0.00162   0.03755   0.03607  -0.07139
   D14       -3.13499   0.00096  -0.00105   0.02135   0.02039  -3.11460
   D15       -3.06226  -0.00046   0.00045  -0.00927  -0.00891  -3.07117
   D16        0.19339  -0.00141   0.00102  -0.02548  -0.02458   0.16881
   D17        0.16126  -0.00277   0.00181  -0.04893  -0.04698   0.11428
   D18       -3.09034  -0.00107   0.00090  -0.02032  -0.01933  -3.10967
   D19       -3.09093  -0.00143   0.00132  -0.03228  -0.03094  -3.12186
   D20       -0.05935   0.00027   0.00041  -0.00367  -0.00328  -0.06263
   D21        3.03960   0.00126  -0.00089   0.02226   0.02138   3.06098
   D22       -0.04349   0.00048  -0.00025   0.00536   0.00500  -0.03849
   D23        0.01246   0.00020  -0.00030   0.00561   0.00535   0.01781
   D24       -3.07063  -0.00057   0.00035  -0.01129  -0.01103  -3.08166
   D25       -0.08982   0.00120  -0.00093   0.02468   0.02385  -0.06596
   D26        3.08382   0.00061  -0.00050   0.01284   0.01243   3.09625
   D27       -3.12322  -0.00034   0.00007  -0.00343  -0.00326  -3.12648
   D28        0.05042  -0.00093   0.00051  -0.01527  -0.01468   0.03574
   D29       -0.04774  -0.00097   0.00033  -0.01621  -0.01594  -0.06368
   D30        3.10276  -0.00042   0.00067  -0.01837  -0.01783   3.08494
   D31        2.98391   0.00043  -0.00081   0.01210   0.01133   2.99525
   D32       -0.14877   0.00098  -0.00047   0.00994   0.00945  -0.13932
   D33       -0.03912   0.00041  -0.00062   0.01061   0.01007  -0.02904
   D34       -3.07582  -0.00055   0.00049  -0.01190  -0.01151  -3.08733
   D35        3.07017   0.00099  -0.00096   0.02221   0.02142   3.09159
   D36        0.03347   0.00002   0.00014  -0.00029  -0.00016   0.03331
   D37        0.14252   0.00046  -0.00037   0.01309   0.01278   0.15529
   D38       -2.88313  -0.00044   0.00023  -0.00624  -0.00607  -2.88920
   D39       -3.05743   0.00152  -0.00092   0.03062   0.02965  -3.02778
   D40        0.20012   0.00062  -0.00032   0.01128   0.01080   0.21092
   D41        3.03278   0.00010   0.00023  -0.00044  -0.00012   3.03266
   D42       -0.16948  -0.00024  -0.00017  -0.00268  -0.00279  -0.17227
   D43       -0.05085  -0.00076   0.00085  -0.01743  -0.01652  -0.06737
   D44        3.03008  -0.00110   0.00046  -0.01966  -0.01919   3.01089
   D45       -0.24710  -0.00119   0.00123  -0.03242  -0.03121  -0.27831
   D46        2.87516  -0.00120   0.00037  -0.01716  -0.01694   2.85822
   D47        2.77036   0.00029   0.00081  -0.01106  -0.01032   2.76004
   D48       -0.39057   0.00028  -0.00006   0.00420   0.00396  -0.38661
   D49       -0.17660  -0.00054  -0.00010  -0.00306  -0.00314  -0.17974
   D50        2.84336   0.00143  -0.00103   0.02666   0.02544   2.86880
   D51        3.08556  -0.00217   0.00019  -0.02402  -0.02369   3.06187
   D52       -0.17765  -0.00020  -0.00074   0.00570   0.00488  -0.17277
   D53        0.20084   0.00110  -0.00133   0.03344   0.03203   0.23287
   D54       -2.95052   0.00061  -0.00168   0.03607   0.03430  -2.91621
   D55       -2.92300   0.00116  -0.00059   0.01958   0.01896  -2.90405
   D56        0.20882   0.00067  -0.00093   0.02221   0.02123   0.23006
   D57        2.92600  -0.00194   0.00164  -0.03529  -0.03378   2.89222
   D58       -0.41237  -0.00632   0.00344  -0.10118  -0.09776  -0.51014
   D59       -0.23453  -0.00199   0.00077  -0.02051  -0.01985  -0.25438
   D60        2.71028  -0.00638   0.00257  -0.08640  -0.08383   2.62645
   D61        3.07133  -0.00044  -0.00013  -0.00398  -0.00400   3.06733
   D62       -0.06085   0.00007   0.00020  -0.00641  -0.00611  -0.06696
   D63       -0.13210   0.00095  -0.00062   0.01459   0.01401  -0.11809
   D64        3.06028   0.00036  -0.00056   0.00701   0.00642   3.06670
   D65        3.07021   0.00119  -0.00022   0.01640   0.01625   3.08646
   D66       -0.02060   0.00060  -0.00016   0.00882   0.00866  -0.01194
   D67        0.15856  -0.00031   0.00018  -0.00499  -0.00482   0.15374
   D68       -2.97600  -0.00021  -0.00007   0.00015   0.00006  -2.97594
   D69       -3.03339   0.00050   0.00018   0.00309   0.00324  -3.03016
   D70        0.11523   0.00060  -0.00007   0.00824   0.00811   0.12335
   D71       -2.51131   0.00391  -0.00064   0.05483   0.05423  -2.45708
   D72        0.59877   0.00371  -0.00049   0.05176   0.05131   0.65008
   D73        0.68175   0.00338  -0.00050   0.04715   0.04661   0.72835
   D74       -2.49137   0.00319  -0.00035   0.04407   0.04369  -2.44768
   D75       -0.00146  -0.00034  -0.00003  -0.00144  -0.00144  -0.00291
   D76       -3.02601  -0.00196   0.00026  -0.02746  -0.02735  -3.05336
   D77        3.13313  -0.00044   0.00022  -0.00658  -0.00632   3.12681
   D78        0.10859  -0.00207   0.00051  -0.03261  -0.03223   0.07635
   D79        0.13543  -0.00003  -0.00035   0.00194   0.00139   0.13681
   D80       -2.86172  -0.00294   0.00175  -0.04442  -0.04294  -2.90466
   D81       -2.80931   0.00529  -0.00234   0.06951   0.06722  -2.74208
   D82        0.47673   0.00237  -0.00025   0.02314   0.02290   0.49963
   D83       -0.36206  -0.00102  -0.00024   0.04180   0.04165  -0.32041
   D84       -2.62253   0.00590   0.00060   0.05876   0.05904  -2.56349
   D85        1.74942   0.00106  -0.00184   0.04973   0.04786   1.79728
   D86        2.58028  -0.00538   0.00186  -0.02559  -0.02347   2.55681
   D87        0.31981   0.00154   0.00271  -0.00863  -0.00608   0.31373
   D88       -1.59143  -0.00330   0.00026  -0.01767  -0.01726  -1.60869
   D89        0.01752   0.00074  -0.00018   0.01297   0.01276   0.03028
   D90       -3.12305  -0.00022   0.00035  -0.00084  -0.00042  -3.12347
   D91        3.02614   0.00367  -0.00212   0.05615   0.05392   3.08006
   D92       -0.11443   0.00272  -0.00159   0.04233   0.04075  -0.07368
   D93       -3.08033  -0.00222   0.00130  -0.04169  -0.04031  -3.12063
   D94       -0.16679   0.00241  -0.00164   0.04076   0.03910  -0.12769
   D95        0.20411  -0.00513   0.00333  -0.08765  -0.08428   0.11984
   D96        3.11765  -0.00049   0.00039  -0.00519  -0.00487   3.11278
   D97       -0.05462  -0.00075   0.00037  -0.01087  -0.01047  -0.06510
   D98        3.08599   0.00017  -0.00016   0.00238   0.00221   3.08820
   D99       -0.03582   0.00115  -0.00090   0.02388   0.02306  -0.01276
   D100       3.10274  -0.00055   0.00013  -0.00660  -0.00625   3.09649
   D101       3.10673   0.00026  -0.00038   0.01097   0.01060   3.11733
   D102      -0.03790  -0.00144   0.00065  -0.01951  -0.01871  -0.05661
   D103      -0.14682   0.00380  -0.00251   0.06769   0.06531  -0.08151
   D104       2.90654   0.00395  -0.00270   0.07305   0.07055   2.97708
   D105      -3.07145  -0.00039   0.00031  -0.00980  -0.00961  -3.08107
   D106      -0.01810  -0.00025   0.00011  -0.00444  -0.00437  -0.02247
   D107      -0.00959   0.00012  -0.00007   0.00084   0.00080  -0.00880
   D108      -3.13270  -0.00080   0.00046  -0.01290  -0.01227   3.13821
   D109      -3.06040  -0.00015   0.00043  -0.00597  -0.00554  -3.06594
   D110       0.09968  -0.00107   0.00095  -0.01971  -0.01860   0.08107
   D111       0.09910  -0.00272   0.00169  -0.04614  -0.04438   0.05473
   D112      -3.03932  -0.00094   0.00069  -0.01428  -0.01342  -3.05274
   D113      -3.06076  -0.00187   0.00114  -0.03273  -0.03152  -3.09228
   D114       0.08400  -0.00010   0.00013  -0.00087  -0.00056   0.08344
   D115      -2.63690   0.00645  -0.00225   0.10337   0.10116  -2.53574
   D116       0.54201   0.00655  -0.00244   0.10588   0.10349   0.64549
   D117       0.52354   0.00564  -0.00166   0.08964   0.08793   0.61147
   D118      -2.58073   0.00574  -0.00185   0.09214   0.09025  -2.49048
   D119       3.11759  -0.00026   0.00012  -0.00398  -0.00386   3.11373
   D120      -0.13245   0.00010  -0.00058   0.00593   0.00537  -0.12708
   D121       0.03368  -0.00059   0.00041  -0.00968  -0.00925   0.02443
   D122       3.06683  -0.00023  -0.00029   0.00023  -0.00003   3.06680
   D123      -3.10856   0.00002   0.00007  -0.00016  -0.00010  -3.10865
   D124      -0.10325  -0.00015  -0.00044   0.00408   0.00367  -0.09958
   D125      -0.02422   0.00034  -0.00024   0.00554   0.00527  -0.01895
   D126       2.98109   0.00018  -0.00074   0.00978   0.00904   2.99013
   D127       3.11056   0.00043  -0.00021   0.00679   0.00659   3.11715
   D128       0.07351   0.00047   0.00031   0.00275   0.00304   0.07655
   D129      -0.00462   0.00051  -0.00033   0.00918   0.00883   0.00421
   D130      -3.04167   0.00055   0.00018   0.00514   0.00528  -3.03639
   D131      -3.11029  -0.00037   0.00030  -0.00678  -0.00649  -3.11678
   D132       0.11572   0.00040   0.00005   0.00264   0.00271   0.11843
   D133       0.00371  -0.00046   0.00044  -0.00930  -0.00885  -0.00514
   D134      -3.05347   0.00031   0.00019   0.00012   0.00035  -3.05311
   D135      -3.10488   0.00007   0.00002   0.00122   0.00125  -3.10363
   D136       0.22221  -0.00090   0.00102  -0.02058  -0.01963   0.20258
   D137       0.00516   0.00002   0.00018  -0.00084  -0.00065   0.00450
   D138      -2.95094  -0.00095   0.00118  -0.02263  -0.02153  -2.97247
   D139       3.08945   0.00036  -0.00011   0.00450   0.00437   3.09382
   D140       0.03305   0.00033   0.00030   0.00116   0.00144   0.03449
   D141      -0.02000   0.00035  -0.00027   0.00642   0.00614  -0.01386
   D142      -3.07640   0.00033   0.00015   0.00309   0.00321  -3.07319
   D143       0.00370  -0.00036   0.00011  -0.00547  -0.00538  -0.00168
   D144      -3.10066  -0.00016   0.00003  -0.00264  -0.00261  -3.10327
   D145       3.05028   0.00000  -0.00002  -0.00143  -0.00149   3.04879
   D146      -0.05407   0.00021  -0.00009   0.00140   0.00128  -0.05280
   D147       3.09263  -0.00017  -0.00000  -0.00266  -0.00265   3.08998
   D148      -0.00211  -0.00016   0.00015  -0.00347  -0.00330  -0.00541
   D149       0.06771  -0.00046   0.00041  -0.00785  -0.00743   0.06029
   D150      -3.02703  -0.00045   0.00056  -0.00867  -0.00808  -3.03510
   D151      -0.00142   0.00009   0.00016  -0.00020  -0.00005  -0.00148
   D152       3.03386   0.00134  -0.00063   0.02128   0.02064   3.05450
   D153       3.09610  -0.00008   0.00031  -0.00349  -0.00320   3.09290
   D154      -0.15181   0.00117  -0.00048   0.01799   0.01750  -0.13431
   D155       0.03658  -0.00072   0.00059  -0.01319  -0.01262   0.02396
   D156      -3.09279  -0.00115   0.00080  -0.01963  -0.01883  -3.11161
   D157      -3.05648  -0.00051   0.00045  -0.00947  -0.00903  -3.06550
   D158       0.09734  -0.00094   0.00066  -0.01591  -0.01524   0.08210
   D159      -0.00139   0.00022  -0.00037   0.00578   0.00546   0.00408
   D160       3.06425  -0.00011  -0.00005  -0.00187  -0.00181   3.06244
   D161      -3.05265  -0.00066   0.00035  -0.01201  -0.01173  -3.06438
   D162       0.01298  -0.00098   0.00067  -0.01967  -0.01900  -0.00602
   D163      -3.05869  -0.00039   0.00019  -0.00547  -0.00527  -3.06396
   D164       0.11678  -0.00132   0.00080  -0.02126  -0.02040   0.09637
   D165      -0.03431   0.00097  -0.00074   0.01810   0.01743  -0.01688
   D166       3.14115   0.00005  -0.00012   0.00232   0.00230  -3.13973
   D167       3.08754  -0.00073   0.00069  -0.01241  -0.01177   3.07577
   D168      -0.21853   0.00315  -0.00200   0.05568   0.05374  -0.16479
   D169       0.04000  -0.00017   0.00033  -0.00261  -0.00237   0.03763
   D170       3.01711   0.00371  -0.00236   0.06548   0.06314   3.08025
   D171      -0.02961   0.00049  -0.00043   0.00968   0.00931  -0.02030
   D172      -3.10602  -0.00060   0.00031  -0.00956  -0.00924  -3.11526
   D173      -3.07380  -0.00013   0.00003   0.00045   0.00058  -3.07322
   D174       0.13298  -0.00122   0.00076  -0.01878  -0.01797   0.11501
   D175       3.10749   0.00127  -0.00083   0.02362   0.02282   3.13030
   D176      -0.05825   0.00072  -0.00046   0.01372   0.01327  -0.04498
   D177      -0.15431   0.00198  -0.00148   0.03524   0.03374  -0.12057
   D178       2.96314   0.00144  -0.00111   0.02534   0.02419   2.98733
   D179       0.01463  -0.00035   0.00026  -0.00642  -0.00616   0.00847
   D180      -3.06472  -0.00058   0.00031  -0.00865  -0.00833  -3.07305
   D181       3.07936   0.00098  -0.00045   0.01622   0.01577   3.09512
   D182       0.00000   0.00075  -0.00040   0.01399   0.01360   0.01360
   D183      -0.01879  -0.00072   0.00047  -0.01211  -0.01157  -0.03036
   D184      -3.13805  -0.00009  -0.00010  -0.00059  -0.00063  -3.13868
   D185      -3.07547  -0.00219   0.00133  -0.03711  -0.03575  -3.11122
   D186       0.08845  -0.00156   0.00075  -0.02559  -0.02480   0.06365
   D187       0.00575   0.00004  -0.00002   0.00066   0.00065   0.00640
   D188      -3.01302  -0.00031   0.00026  -0.00411  -0.00383  -3.01685
   D189       3.09487   0.00012  -0.00006   0.00216   0.00211   3.09698
   D190       0.07609  -0.00023   0.00022  -0.00261  -0.00237   0.07372
   D191       2.99731   0.00140  -0.00124   0.02728   0.02606   3.02337
   D192      -0.07432   0.00007  -0.00004   0.00085   0.00084  -0.07347
   D193      -0.07588   0.00123  -0.00117   0.02514   0.02399  -0.05189
   D194       3.13568  -0.00010   0.00003  -0.00129  -0.00122   3.13446
   D195      -3.00853  -0.00149   0.00123  -0.02769  -0.02643  -3.03496
   D196       0.02366   0.00019  -0.00021   0.00447   0.00430   0.02796
   D197      -0.01879  -0.00110   0.00082  -0.02161  -0.02079  -0.03957
   D198       3.01341   0.00058  -0.00063   0.01054   0.00995   3.02336
   D199       0.01127  -0.00038  -0.00002  -0.00495  -0.00496   0.00631
   D200      -3.13956   0.00054  -0.00070   0.01176   0.01117  -3.12838
   D201       2.98677   0.00104  -0.00061   0.01518   0.01456   3.00133
   D202      -0.16405   0.00195  -0.00129   0.03189   0.03069  -0.13337
   D203       2.98578   0.00239  -0.00207   0.04657   0.04457   3.03034
   D204      -0.07047   0.00056   0.00006   0.00657   0.00661  -0.06385
   D205       0.04960   0.00085  -0.00118   0.02163   0.02054   0.07014
   D206      -3.00664  -0.00098   0.00095  -0.01836  -0.01741  -3.02405
   D207      -0.02324   0.00057  -0.00014   0.00877   0.00860  -0.01464
   D208      -3.09545  -0.00042   0.00022  -0.00758  -0.00741  -3.10286
   D209       3.12929  -0.00054   0.00061  -0.01110  -0.01046   3.11883
   D210       0.05708  -0.00153   0.00097  -0.02745  -0.02647   0.03061
   D211       0.19699  -0.00436   0.00321  -0.07922  -0.07595   0.12104
   D212      -3.09055  -0.00066   0.00029  -0.01200  -0.01177  -3.10232
   D213      -2.95660  -0.00315   0.00236  -0.05748  -0.05500  -3.01160
   D214       0.03904   0.00054  -0.00057   0.00974   0.00918   0.04822
   D215       0.02660  -0.00052   0.00026  -0.00925  -0.00900   0.01760
   D216       3.09255  -0.00023   0.00006  -0.00592  -0.00590   3.08666
   D217       3.10882   0.00032  -0.00004   0.00472   0.00469   3.11352
   D218      -0.10841   0.00062  -0.00023   0.00805   0.00780  -0.10061
   D219       3.08643   0.00162  -0.00076   0.02582   0.02505   3.11148
   D220      -0.15663   0.00319  -0.00186   0.05337   0.05146  -0.10517
   D221       0.02184   0.00045  -0.00038   0.00759   0.00720   0.02904
   D222       3.06196   0.00202  -0.00148   0.03514   0.03361   3.09557
   D223      -3.12872  -0.00033   0.00007  -0.00674  -0.00668  -3.13539
   D224       0.05680  -0.00065   0.00040  -0.01338  -0.01301   0.04379
   D225       0.10687  -0.00055   0.00047  -0.01082  -0.01035   0.09652
   D226      -2.99080  -0.00087   0.00079  -0.01746  -0.01668  -3.00748
   D227       0.00189   0.00022  -0.00012   0.00528   0.00528   0.00717
   D228      -3.10106  -0.00112   0.00075  -0.01884  -0.01803  -3.11909
   D229       3.10951   0.00114  -0.00071   0.02103   0.02042   3.12993
   D230       0.00656  -0.00020   0.00015  -0.00309  -0.00289   0.00367
   D231       0.05450  -0.00167   0.00094  -0.02928  -0.02825   0.02624
   D232      -3.08555  -0.00163   0.00091  -0.02886  -0.02791  -3.11346
   D233      -3.12578  -0.00030   0.00008  -0.00504  -0.00487  -3.13065
   D234       0.01736  -0.00025   0.00006  -0.00462  -0.00453   0.01283
   D235      -0.07405   0.00152  -0.00107   0.02709   0.02601  -0.04804
   D236      -3.05596  -0.00238   0.00115  -0.03872  -0.03759  -3.09355
   D237       3.06601   0.00147  -0.00104   0.02667   0.02566   3.09168
   D238       0.08410  -0.00243   0.00117  -0.03914  -0.03794   0.04616
   D239      -0.06722   0.00135  -0.00122   0.02682   0.02565  -0.04158
   D240       3.07616   0.00135  -0.00093   0.02486   0.02397   3.10013
   D241       3.02834   0.00137  -0.00138   0.02778   0.02643   3.05477
   D242      -0.11147   0.00137  -0.00109   0.02583   0.02476  -0.08671
   D243       0.05330  -0.00217   0.00158  -0.04005  -0.03843   0.01487
   D244      -3.12797  -0.00022   0.00026  -0.00512  -0.00483  -3.13280
   D245      -3.09011  -0.00217   0.00127  -0.03803  -0.03672  -3.12683
   D246       0.01180  -0.00022  -0.00005  -0.00310  -0.00312   0.00868
   D247      -0.03638   0.00177  -0.00128   0.03219   0.03092  -0.00547
   D248       3.09297   0.00220  -0.00147   0.03859   0.03712   3.13009
   D249      -3.13826  -0.00017   0.00013  -0.00289  -0.00273  -3.14099
   D250      -0.00891   0.00026  -0.00006   0.00352   0.00348  -0.00543
   D251       0.02130  -0.00125   0.00096  -0.02396  -0.02298  -0.00168
   D252      -3.13168  -0.00029   0.00031  -0.00551  -0.00511  -3.13679
   D253       3.09285   0.00010  -0.00011   0.00229   0.00219   3.09504
   D254      -0.06012   0.00106  -0.00075   0.02074   0.02005  -0.04007
   D255       0.03660  -0.00011   0.00012  -0.00096  -0.00077   0.03583
   D256       3.11538   0.00179  -0.00109   0.03222   0.03112  -3.13669
   D257      -3.09352  -0.00108   0.00081  -0.01964  -0.01872  -3.11224
   D258      -0.01475   0.00081  -0.00040   0.01354   0.01317  -0.00157
   D259      -0.03720   0.00124  -0.00101   0.02342   0.02249  -0.01471
   D260      -3.07099  -0.00043   0.00038  -0.00824  -0.00780  -3.07878
   D261      -3.11680  -0.00056   0.00022  -0.00910  -0.00886  -3.12567
   D262       0.13259  -0.00224   0.00161  -0.04076  -0.03915   0.09344
   D263       0.06779  -0.00112   0.00104  -0.02267  -0.02169   0.04609
   D264      -3.11496  -0.00064   0.00057  -0.01312  -0.01262  -3.12757
   D265      -3.05024  -0.00059   0.00064  -0.01277  -0.01214  -3.06238
   D266       0.05020  -0.00010   0.00017  -0.00322  -0.00307   0.04714
   D267       0.04225  -0.00030   0.00033  -0.00646  -0.00617   0.03608
   D268      -3.08073  -0.00093   0.00052  -0.01522  -0.01470  -3.09543
   D269      -3.05810  -0.00078   0.00067  -0.01571  -0.01510  -3.07320
   D270       0.10211  -0.00141   0.00086  -0.02447  -0.02363   0.07848
   D271      -0.06644   0.00120  -0.00107   0.02395   0.02289  -0.04355
   D272       3.05253   0.00060  -0.00049   0.01245   0.01203   3.06455
   D273       3.05643   0.00185  -0.00125   0.03276   0.03147   3.08790
   D274      -0.10779   0.00124  -0.00067   0.02125   0.02061  -0.08719
   D275       0.06085  -0.00092   0.00091  -0.01892  -0.01805   0.04280
   D276       3.12148   0.00084  -0.00062   0.01424   0.01358   3.13506
   D277      -2.97912  -0.00249   0.00178  -0.04595  -0.04423  -3.02335
   D278       0.08150  -0.00072   0.00024  -0.01279  -0.01260   0.06890
   D279      -0.06127   0.00090  -0.00073   0.01624   0.01549  -0.04578
   D280       3.01878   0.00206  -0.00153   0.03756   0.03597   3.05475
   D281      -3.12220  -0.00087   0.00059  -0.01647  -0.01590  -3.13810
   D282      -0.04215   0.00029  -0.00021   0.00485   0.00457  -0.03758
   D283      -0.02356  -0.00014   0.00002  -0.00107  -0.00104  -0.02461
   D284       3.07521   0.00019  -0.00025   0.00537   0.00514   3.08035
   D285      -3.10444  -0.00122   0.00075  -0.02164  -0.02097  -3.12541
   D286      -0.00567  -0.00088   0.00048  -0.01520  -0.01478  -0.02046
   D287       0.02998  -0.00147   0.00127  -0.02855  -0.02736   0.00262
   D288       3.12734  -0.00023   0.00062  -0.00720  -0.00668   3.12067
   D289       3.08826   0.00036  -0.00057   0.01017   0.00960   3.09786
   D290      -0.09756   0.00160  -0.00122   0.03153   0.03028  -0.06728
   D291       0.00484  -0.00098   0.00093  -0.01884  -0.01804  -0.01320
   D292       3.12285   0.00040  -0.00010   0.00591   0.00572   3.12857
   D293      -3.09208  -0.00225   0.00156  -0.04041  -0.03893  -3.13101
   D294       0.02593  -0.00086   0.00053  -0.01566  -0.01518   0.01076
   D295      -0.11912   0.00405  -0.00295   0.07295   0.06998  -0.04914
   D296      -3.11470   0.00040  -0.00029   0.00638   0.00607  -3.10863
   D297       3.04612   0.00266  -0.00192   0.04814   0.04616   3.09228
   D298       0.05053  -0.00099   0.00074  -0.01842  -0.01775   0.03278
   D299       2.32829  -0.02101  -0.00016  -0.06613  -0.06628   2.26201
   D300       0.11046  -0.00640  -0.00175  -0.02643  -0.02824   0.08222
   D301      -2.07513  -0.00805   0.00624  -0.05406  -0.04778  -2.12291
   D302       1.28406   0.00112   0.00177  -0.00256  -0.00088   1.28318
   D303      -2.84341  -0.00265   0.00307  -0.02144  -0.01816  -2.86156
   D304      -0.57769   0.00065  -0.00355   0.00044  -0.00323  -0.58092
   D305      -2.73527  -0.00144   0.00117  -0.04467  -0.04361  -2.77888
   D306      -0.64626  -0.00067   0.00094  -0.04845  -0.04752  -0.69377
   D307       1.42974  -0.00189   0.00109  -0.04418  -0.04297   1.38678
   D308      -3.12128  -0.00224   0.00249  -0.04445  -0.04195   3.11995
   D309      -1.04083  -0.00022   0.00047  -0.02118  -0.02071  -1.06153
   D310       1.04782  -0.00206  -0.00004  -0.03257  -0.03261   1.01520
   D311      -2.86217  -0.00968   0.00020  -0.03324  -0.03305  -2.89522
   D312      -0.76165  -0.01028   0.00085  -0.04227  -0.04145  -0.80310
   D313       1.31286  -0.00779  -0.00083  -0.01266  -0.01354   1.29932
   D314       1.28408   0.00849  -0.00022   0.01466   0.01449   1.29857
   D315      -2.89859   0.00788   0.00043   0.00564   0.00610  -2.89249
   D316      -0.82408   0.01038  -0.00124   0.03525   0.03401  -0.79007
   D317      -0.81541  -0.00161   0.00125  -0.03157  -0.03029  -0.84570
   D318       1.28510  -0.00221   0.00190  -0.04059  -0.03868   1.24642
   D319      -2.92357   0.00028   0.00023  -0.01098  -0.01077  -2.93434
   D320      -0.95084   0.00537   0.00133  -0.08611  -0.08490  -1.03574
   D321       1.12816   0.00314   0.00156  -0.09857  -0.09732   1.03084
   D322      -3.00747   0.00642   0.00025  -0.07306  -0.07239  -3.07986
   D323      -2.70036  -0.00097  -0.00005  -0.02176  -0.02177  -2.72212
   D324      -0.62389  -0.00109  -0.00034  -0.02141  -0.02174  -0.64563
   D325       1.44428   0.00051  -0.00151  -0.00098  -0.00245   1.44183
   D326       1.51780  -0.00160   0.00255  -0.04003  -0.03752   1.48028
   D327      -2.68892  -0.00172   0.00226  -0.03969  -0.03749  -2.72641
   D328      -0.62075  -0.00012   0.00109  -0.01926  -0.01819  -0.63895
   D329      -0.62337  -0.00135   0.00060  -0.02960  -0.02899  -0.65235
   D330       1.45310  -0.00146   0.00031  -0.02925  -0.02896   1.42414
   D331      -2.76192   0.00014  -0.00087  -0.00882  -0.00967  -2.77158
         Item               Value     Threshold  Converged?
 Maximum Force            0.028886     0.000450     NO 
 RMS     Force            0.003572     0.000300     NO 
 Maximum Displacement     1.082472     0.001800     NO 
 RMS     Displacement     0.199973     0.001200     NO 
 Predicted change in Energy=-1.998404D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.485790    3.297879    0.059946
      2          6           0       -2.724501    1.922045   -0.017975
      3          6           0       -1.673862    0.994520   -0.064707
      4          6           0       -0.349664    1.476273   -0.119929
      5          6           0       -0.116488    2.853659    0.013058
      6          6           0       -1.157570    3.757103    0.119670
      7          6           0       -1.902266   -0.449561   -0.179823
      8          6           0       -0.796354   -1.348568   -0.322957
      9          6           0        0.551692   -0.866862   -0.163588
     10          6           0        0.779588    0.562072   -0.209803
     11          6           0       -3.204030   -0.964948   -0.202089
     12          6           0       -3.460386   -2.317027   -0.438410
     13          6           0       -2.382294   -3.147795   -0.802050
     14          6           0       -1.096839   -2.668463   -0.740515
     15          7           0        1.660709   -1.678577    0.038951
     16          6           0        2.952157   -1.120754   -0.123964
     17          6           0        3.054971    0.288115   -0.321351
     18          7           0        1.974416    1.099151   -0.322805
     19          6           0        4.143726   -1.861174   -0.221118
     20          6           0        5.374022   -1.238042   -0.355276
     21          6           0        5.483686    0.162348   -0.498379
     22          6           0        4.308497    0.898179   -0.510923
     23          7           0       -3.565450    4.199242    0.046922
     24          7           0       -4.753802   -2.844847   -0.372895
     25          7           0        6.735657    0.787557   -0.629949
     26          6           0       -5.069671   -4.107663    0.176036
     27          6           0       -6.467392   -4.300016    0.105554
     28          6           0       -7.030527   -3.113779   -0.505694
     29          6           0       -5.957814   -2.234087   -0.787032
     30          6           0       -3.661188    5.397308    0.782283
     31          6           0       -4.882232    6.035556    0.467267
     32          6           0       -5.550013    5.211790   -0.519236
     33          6           0       -4.716789    4.093663   -0.762503
     34          6           0        7.077153    2.059449   -0.113661
     35          6           0        8.404574    2.362255   -0.493320
     36          6           0        8.894944    1.248708   -1.274091
     37          6           0        7.854701    0.289122   -1.330348
     38          6           0       -8.328210   -2.786476   -0.903827
     39          6           0       -8.554482   -1.581921   -1.558796
     40          6           0       -7.484832   -0.715971   -1.820070
     41          6           0       -6.173769   -1.033629   -1.469744
     42          6           0       -4.241332   -5.030527    0.818419
     43          6           0       -4.835937   -6.186606    1.324004
     44          6           0       -6.218131   -6.400628    1.241302
     45          6           0       -7.039797   -5.460131    0.628910
     46          6           0       -6.735254    5.371437   -1.240368
     47          6           0       -7.048946    4.453733   -2.237649
     48          6           0       -6.185247    3.384849   -2.515385
     49          6           0       -5.016944    3.184037   -1.780524
     50          6           0       -2.819148    5.910253    1.773240
     51          6           0       -3.150645    7.142298    2.331139
     52          6           0       -4.317999    7.829508    1.960374
     53          6           0       -5.200399    7.267015    1.047616
     54          6           0       10.132195    0.985204   -1.865363
     55          6           0       10.313970   -0.217734   -2.538928
     56          6           0        9.251798   -1.124794   -2.663571
     57          6           0        8.009983   -0.881332   -2.078712
     58          6           0        6.391004    2.874523    0.792071
     59          6           0        7.023869    4.032405    1.237489
     60          6           0        8.307931    4.388744    0.800451
     61          6           0        8.988606    3.566509   -0.090524
     62          8           0        0.208317   -3.361975    1.650434
     63         15           0        1.456804   -3.269119    0.884612
     64          8           0        2.834415   -3.398635    1.654065
     65          8           0        1.503037   -4.362675   -0.304793
     66          6           0        2.872305   -3.710574    3.092393
     67          6           0        4.220563   -3.265543    3.629948
     68          6           0        2.650733   -4.822129   -1.078661
     69          6           0        2.146185   -5.880587   -2.049547
     70          1           0       -3.742956    1.585068    0.090146
     71          1           0        0.906398    3.204286    0.011556
     72          1           0       -0.943010    4.814802    0.169997
     73          1           0       -4.032453   -0.314243    0.025865
     74          1           0       -2.564951   -4.158237   -1.139983
     75          1           0       -0.307097   -3.307447   -1.106371
     76          1           0        4.156207   -2.923159   -0.059854
     77          1           0        6.265951   -1.844149   -0.269822
     78          1           0        4.302336    1.963244   -0.697120
     79          1           0       -9.151274   -3.460651   -0.686379
     80          1           0       -9.559454   -1.304690   -1.855267
     81          1           0       -7.674457    0.234373   -2.308502
     82          1           0       -5.384646   -0.318662   -1.648956
     83          1           0       -3.183822   -4.852171    0.965938
     84          1           0       -4.204656   -6.934878    1.792188
     85          1           0       -6.649672   -7.307422    1.652054
     86          1           0       -8.110045   -5.625910    0.552664
     87          1           0       -7.380268    6.223937   -1.052199
     88          1           0       -7.964575    4.569216   -2.808076
     89          1           0       -6.437888    2.677812   -3.298503
     90          1           0       -4.335626    2.388106   -2.048494
     91          1           0       -1.954575    5.366006    2.126821
     92          1           0       -2.501466    7.562564    3.092498
     93          1           0       -4.521571    8.807694    2.384794
     94          1           0       -6.139528    7.756661    0.808157
     95          1           0       10.912288    1.738779   -1.857598
     96          1           0       11.266656   -0.435884   -3.009141
     97          1           0        9.382182   -2.021870   -3.259873
     98          1           0        7.195992   -1.572909   -2.241245
     99          1           0        5.416748    2.608214    1.180324
    100          1           0        6.492070    4.682680    1.925713
    101          1           0        8.767119    5.304362    1.158317
    102          1           0        9.995274    3.817134   -0.411695
    103          1           0        2.079874   -3.176422    3.609016
    104          1           0        2.716476   -4.788860    3.182486
    105          1           0        4.378104   -3.703848    4.619424
    106          1           0        5.038900   -3.584004    2.977029
    107          1           0        4.238426   -2.176454    3.710792
    108          1           0        3.085326   -3.975041   -1.613008
    109          1           0        3.391381   -5.231611   -0.387868
    110          1           0        2.957348   -6.549843   -2.344614
    111          1           0        1.369846   -6.483307   -1.567023
    112          1           0        1.715634   -5.427494   -2.944597
    113         17           0        1.836580   -0.207048    3.612201
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0362786           0.0181617           0.0133928
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10592.4182299179 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.82D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999956    0.009248   -0.001551    0.000091 Ang=   1.07 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3LYP) =  -3613.44179834     A.U. after   30 cycles
            NFock= 30  Conv=0.49D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001164872   -0.004362384   -0.001400163
      2        6           0.000568043    0.003147206    0.010864055
      3        6           0.001722976   -0.000552012   -0.004789154
      4        6          -0.002844358   -0.000294188    0.005961679
      5        6          -0.000771993    0.003195121   -0.001661287
      6        6           0.002009210   -0.001559296   -0.006207224
      7        6           0.000191427    0.001354972   -0.000312775
      8        6          -0.000806033    0.001198903   -0.004695764
      9        6           0.001915925    0.003345939    0.008204875
     10        6          -0.000969072   -0.002265695    0.001302766
     11        6           0.000923313   -0.001628215    0.002518784
     12        6          -0.000430127    0.002179449   -0.001630129
     13        6           0.001970512    0.000389739    0.000281289
     14        6           0.001167214   -0.000915647   -0.002353394
     15        7           0.001244692    0.003217702   -0.009449886
     16        6          -0.005123430    0.000075741   -0.004915715
     17        6          -0.001826877   -0.001029077    0.001462045
     18        7           0.001681296   -0.000872763    0.000246970
     19        6           0.003924488    0.001080833    0.008681823
     20        6          -0.002042825   -0.002484875    0.004050793
     21        6          -0.002717054    0.002753839   -0.002307915
     22        6           0.003694500    0.001284176   -0.003279459
     23        7          -0.004509618    0.001859546    0.001104552
     24        7          -0.002000932   -0.000415223    0.001072688
     25        7           0.001263971    0.001162337   -0.000774121
     26        6           0.000110668    0.002550476    0.003741683
     27        6          -0.000635695    0.002086144    0.000000633
     28        6           0.001357310   -0.003284350   -0.005152859
     29        6           0.002212709   -0.001363901   -0.002551250
     30        6          -0.001263465   -0.004937730    0.005188744
     31        6          -0.000030627    0.001172433   -0.005139853
     32        6           0.000263665    0.000714101    0.002722081
     33        6           0.003870864    0.003092018   -0.002561640
     34        6           0.004169490   -0.004501905    0.007584300
     35        6          -0.003505459    0.003308672   -0.005965908
     36        6           0.000660297   -0.000600217    0.005228295
     37        6          -0.002254057    0.001491586   -0.003423124
     38        6          -0.001809105   -0.000597275    0.002716115
     39        6           0.000939122    0.000532886    0.001468922
     40        6          -0.000039507    0.002364362   -0.002905312
     41        6          -0.003095213    0.001490263    0.007236591
     42        6          -0.000769178   -0.001682056    0.000820709
     43        6           0.001963491    0.000631568    0.000776864
     44        6          -0.000517281   -0.001911683   -0.002703679
     45        6          -0.000955197   -0.001413195    0.000028243
     46        6           0.000124074    0.000763116   -0.002396415
     47        6          -0.001909554   -0.000356738    0.000881049
     48        6          -0.000157545   -0.002639071    0.003477429
     49        6           0.000028325    0.001739557   -0.002071471
     50        6          -0.000455630    0.000679811   -0.000282639
     51        6          -0.000492786   -0.000282167    0.001666865
     52        6           0.002025627    0.001651941    0.000053265
     53        6          -0.002034536   -0.001499074    0.001073199
     54        6          -0.002056789    0.000340273   -0.004109562
     55        6          -0.000440921    0.000651883   -0.002192971
     56        6          -0.000379311    0.000330364   -0.000837260
     57        6           0.000766889    0.000392804   -0.000522124
     58        6          -0.000910971   -0.000471637   -0.000570667
     59        6          -0.002587511    0.002177293   -0.000012829
     60        6          -0.001849149   -0.000235130   -0.003467199
     61        6           0.005574229   -0.001094055    0.005318679
     62        8          -0.001032227    0.001075085   -0.001168250
     63       15           0.002863521   -0.007009583    0.004977577
     64        8          -0.002629668   -0.001193033   -0.003869234
     65        8           0.003231414    0.004637544   -0.002033157
     66        6           0.005638222    0.000118042    0.008896497
     67        6          -0.000598535    0.001218277   -0.004468600
     68        6          -0.004387935   -0.001598162    0.002090638
     69        6          -0.002699680   -0.000757735    0.002559802
     70        1          -0.002611654   -0.000426142   -0.003405074
     71        1           0.000936548    0.000118410    0.000433358
     72        1          -0.000697250    0.001671127    0.000424310
     73        1          -0.001371430   -0.000033632    0.000335506
     74        1          -0.000484909   -0.000862299   -0.000966819
     75        1           0.001966469   -0.000953120    0.002575492
     76        1          -0.000583259   -0.001777158   -0.000274530
     77        1           0.000766956   -0.000211312   -0.002631528
     78        1           0.000364899    0.000708025    0.000956111
     79        1           0.000052977   -0.000507356   -0.000755735
     80        1          -0.000841707    0.000217437   -0.000404339
     81        1          -0.000125487    0.000318950   -0.000538006
     82        1           0.002488839   -0.000603898   -0.003553743
     83        1           0.000728220   -0.000354702   -0.001387227
     84        1          -0.000151694    0.000446681    0.001802449
     85        1           0.000251145   -0.000473337   -0.000070765
     86        1          -0.000476306    0.000589132    0.001434936
     87        1          -0.000406459    0.000089142    0.000268644
     88        1          -0.000197857    0.000022461   -0.000549960
     89        1           0.000204382    0.000522111   -0.001834413
     90        1           0.000644037   -0.002058319    0.001124660
     91        1           0.002304745    0.000197898   -0.000987349
     92        1           0.000406610    0.000670599   -0.000192066
     93        1          -0.001081249   -0.001089649    0.001506583
     94        1           0.000464146    0.001151149   -0.001171430
     95        1           0.001995839   -0.000392283    0.002638258
     96        1           0.000488613   -0.000240639   -0.000383679
     97        1           0.000762144   -0.001116953    0.000855101
     98        1          -0.001207824   -0.001550689    0.001055171
     99        1          -0.001292432   -0.000154028   -0.000673919
    100        1           0.000866518   -0.000686321    0.001166684
    101        1          -0.000244751    0.000401139   -0.000519026
    102        1           0.000255659    0.000097839   -0.000064326
    103        1          -0.004826676    0.002923840   -0.002412838
    104        1           0.000706041   -0.000687615   -0.000820322
    105        1          -0.000626136    0.000532052    0.000714241
    106        1           0.000525711   -0.002302319    0.000423347
    107        1          -0.001045626    0.000392394    0.000750479
    108        1           0.001112593    0.000413069   -0.000252007
    109        1           0.000320143    0.000273821    0.001393750
    110        1           0.001149932    0.001048498   -0.001637081
    111        1           0.001916575   -0.000010479    0.000167631
    112        1          -0.000599703   -0.000170782   -0.000742221
    113       17           0.001490165   -0.003790676   -0.005875821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010864055 RMS     0.002449483

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.022731354 RMS     0.002128088
 Search for a local minimum.
 Step number   7 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    7
 DE= -2.19D-02 DEPred=-2.00D-02 R= 1.10D+00
 TightC=F SS=  1.41D+00  RLast= 5.76D-01 DXNew= 1.4270D+00 1.7283D+00
 Trust test= 1.10D+00 RLast= 5.76D-01 DXMaxT set to 1.43D+00
 ITU=  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00290   0.00639   0.00982   0.01091   0.01285
     Eigenvalues ---    0.01346   0.01695   0.01746   0.02090   0.02349
     Eigenvalues ---    0.02473   0.02486   0.02541   0.02558   0.02587
     Eigenvalues ---    0.02606   0.02638   0.02678   0.02684   0.02695
     Eigenvalues ---    0.02699   0.02708   0.02709   0.02719   0.02721
     Eigenvalues ---    0.02723   0.02741   0.02747   0.02775   0.02785
     Eigenvalues ---    0.02791   0.02799   0.02803   0.02811   0.02814
     Eigenvalues ---    0.02821   0.02825   0.02831   0.02841   0.02850
     Eigenvalues ---    0.02865   0.02869   0.02877   0.02885   0.02886
     Eigenvalues ---    0.02890   0.02901   0.02902   0.02909   0.02913
     Eigenvalues ---    0.02916   0.02920   0.02923   0.02925   0.02934
     Eigenvalues ---    0.02937   0.02940   0.02946   0.02950   0.02952
     Eigenvalues ---    0.02952   0.02953   0.02957   0.02958   0.02963
     Eigenvalues ---    0.02968   0.02971   0.02973   0.02979   0.02984
     Eigenvalues ---    0.02991   0.02994   0.02996   0.03000   0.03003
     Eigenvalues ---    0.03006   0.03022   0.03029   0.03039   0.03060
     Eigenvalues ---    0.03064   0.03067   0.03081   0.03086   0.03096
     Eigenvalues ---    0.03108   0.03113   0.03120   0.03142   0.03158
     Eigenvalues ---    0.03170   0.03180   0.03185   0.03187   0.03216
     Eigenvalues ---    0.03232   0.03248   0.03261   0.03283   0.03414
     Eigenvalues ---    0.03596   0.05513   0.05593   0.05669   0.05833
     Eigenvalues ---    0.05889   0.05976   0.06190   0.06876   0.08996
     Eigenvalues ---    0.10236   0.11243   0.11557   0.12508   0.13538
     Eigenvalues ---    0.14655   0.15533   0.15864   0.15874   0.15933
     Eigenvalues ---    0.15946   0.15949   0.15951   0.15952   0.15958
     Eigenvalues ---    0.15969   0.15975   0.15983   0.15983   0.15984
     Eigenvalues ---    0.15986   0.15990   0.15991   0.15993   0.15993
     Eigenvalues ---    0.15995   0.15996   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16005   0.16023   0.16063
     Eigenvalues ---    0.18342   0.19765   0.20919   0.21910   0.21975
     Eigenvalues ---    0.21993   0.21995   0.21996   0.21998   0.22001
     Eigenvalues ---    0.22252   0.22366   0.22420   0.22467   0.22564
     Eigenvalues ---    0.22578   0.22585   0.22601   0.22634   0.23244
     Eigenvalues ---    0.23416   0.23590   0.23908   0.23953   0.24069
     Eigenvalues ---    0.24178   0.24243   0.24255   0.24347   0.24404
     Eigenvalues ---    0.24442   0.24459   0.24525   0.24606   0.24668
     Eigenvalues ---    0.24779   0.24790   0.24796   0.24832   0.24882
     Eigenvalues ---    0.24897   0.24928   0.24942   0.24944   0.24961
     Eigenvalues ---    0.24965   0.24979   0.24987   0.24992   0.24994
     Eigenvalues ---    0.25289   0.25773   0.26486   0.27168   0.27866
     Eigenvalues ---    0.28157   0.28391   0.28737   0.28846   0.29206
     Eigenvalues ---    0.29325   0.29649   0.30037   0.30379   0.30506
     Eigenvalues ---    0.30658   0.30773   0.30904   0.30982   0.31091
     Eigenvalues ---    0.31234   0.31331   0.31389   0.31484   0.31536
     Eigenvalues ---    0.31944   0.32126   0.32234   0.32313   0.33096
     Eigenvalues ---    0.33462   0.33557   0.33960   0.34022   0.34157
     Eigenvalues ---    0.34491   0.34666   0.34935   0.34973   0.35153
     Eigenvalues ---    0.35497   0.35581   0.36385   0.36538   0.36773
     Eigenvalues ---    0.37133   0.37310   0.38891   0.40645   0.41513
     Eigenvalues ---    0.41907   0.42233   0.42592   0.42624   0.43336
     Eigenvalues ---    0.43907   0.45238   0.46356   0.47022   0.47064
     Eigenvalues ---    0.47144   0.47645   0.47722   0.48480   0.49249
     Eigenvalues ---    0.50002   0.50334   0.50482   0.50813   0.51027
     Eigenvalues ---    0.51661   0.51963   0.52126   0.52276   0.52726
     Eigenvalues ---    0.53086   0.53171   0.53379   0.53776   0.54278
     Eigenvalues ---    0.54305   0.55010   0.55251   0.55371   0.55646
     Eigenvalues ---    0.55998   0.56078   0.56193   0.56323   0.56431
     Eigenvalues ---    0.56541   0.56909   0.56991   0.57285   0.57326
     Eigenvalues ---    0.57577   0.58012   0.58231   0.58282   0.58325
     Eigenvalues ---    0.58500   0.58549   0.58715   0.58964   0.59045
     Eigenvalues ---    0.59465   0.59780   0.59809   0.60108   0.60463
     Eigenvalues ---    0.60875   0.61456   0.61837   0.62849   0.63296
     Eigenvalues ---    0.63791   0.64674   0.65365   0.66173   0.66895
     Eigenvalues ---    0.67876   0.68869   0.72185   0.73399   0.74591
     Eigenvalues ---    0.80283   0.82418   0.86616
 RFO step:  Lambda=-2.13788937D-02 EMin= 2.89850055D-03
 Quartic linear search produced a step of  0.95150.
 Iteration  1 RMS(Cart)=  0.26263418 RMS(Int)=  0.01769895
 Iteration  2 RMS(Cart)=  0.08083849 RMS(Int)=  0.00749072
 Iteration  3 RMS(Cart)=  0.00781645 RMS(Int)=  0.00049301
 Iteration  4 RMS(Cart)=  0.00002344 RMS(Int)=  0.00049296
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00049296
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64290  -0.00229   0.00195  -0.01188  -0.00971   2.63319
    R2        2.65815   0.00159   0.00272  -0.00155   0.00142   2.65957
    R3        2.65793   0.00263   0.01443  -0.00220   0.01223   2.67016
    R4        2.64988   0.00174   0.01225  -0.00335   0.00889   2.65877
    R5        2.03749   0.00208   0.00603   0.00833   0.01436   2.05184
    R6        2.66487   0.00092   0.00236  -0.00291  -0.00092   2.66395
    R7        2.77139   0.00088   0.01077  -0.00681   0.00397   2.77536
    R8        2.65185   0.00253   0.00875  -0.00033   0.00820   2.66005
    R9        2.75087   0.00399   0.01679  -0.00128   0.01542   2.76629
   R10        2.61263  -0.00029   0.00062  -0.00362  -0.00299   2.60964
   R11        2.04339   0.00088   0.00574   0.00199   0.00774   2.05112
   R12        2.04169   0.00163   0.01642   0.00170   0.01812   2.05981
   R13        2.70682  -0.00039   0.00342  -0.00821  -0.00461   2.70221
   R14        2.64610   0.00083   0.01000  -0.00446   0.00549   2.65158
   R15        2.72191  -0.00228   0.00077  -0.00837  -0.00757   2.71434
   R16        2.67699   0.00104   0.00120  -0.00151  -0.00018   2.67682
   R17        2.73581  -0.00190  -0.00417  -0.00408  -0.00810   2.72771
   R18        2.62517  -0.00307   0.00819  -0.01935  -0.01055   2.61462
   R19        2.48471   0.00227   0.00885  -0.00796   0.00047   2.48519
   R20        2.63864   0.00017   0.00837  -0.00735   0.00090   2.63954
   R21        2.03676   0.00120  -0.00679   0.00770   0.00091   2.03766
   R22        2.66223   0.00251   0.00448   0.00007   0.00447   2.66670
   R23        2.64279   0.00190   0.01240  -0.00554   0.00686   2.64965
   R24        2.59515   0.00043  -0.00001   0.00186   0.00190   2.59705
   R25        2.04279   0.00113   0.01315   0.00055   0.01369   2.05648
   R26        2.04042   0.00116   0.00168   0.00444   0.00612   2.04654
   R27        2.67618  -0.00477   0.00256  -0.02044  -0.01747   2.65871
   R28        3.42585   0.00364   0.02708   0.01680   0.04388   3.46973
   R29        2.69539   0.00072  -0.00173  -0.00353  -0.00551   2.68988
   R30        2.65740   0.00077   0.00247  -0.00189   0.00057   2.65797
   R31        2.55315   0.00146   0.00927  -0.00822   0.00050   2.55365
   R32        2.65871   0.00329   0.01247  -0.00032   0.01210   2.67080
   R33        2.61843  -0.00206   0.00156  -0.00983  -0.00822   2.61021
   R34        2.03000   0.00160   0.00763   0.00690   0.01453   2.04454
   R35        2.66819   0.00272   0.00454   0.00030   0.00491   2.67311
   R36        2.04423   0.00059  -0.00339   0.00325  -0.00014   2.04409
   R37        2.62030  -0.00119   0.00793  -0.00974  -0.00179   2.61852
   R38        2.65614  -0.00036   0.01057  -0.00971   0.00086   2.65701
   R39        2.04324   0.00045  -0.00477   0.00312  -0.00165   2.04159
   R40        2.66263  -0.00086   0.00618  -0.01006  -0.00392   2.65870
   R41        2.66706  -0.00185   0.00520  -0.01342  -0.00821   2.65885
   R42        2.66967   0.00114   0.01093  -0.00540   0.00544   2.67511
   R43        2.66859  -0.00110   0.00758  -0.01226  -0.00464   2.66395
   R44        2.67306  -0.00141   0.00700  -0.01356  -0.00654   2.66652
   R45        2.66663  -0.00145   0.00651  -0.01309  -0.00651   2.66012
   R46        2.66953   0.00169   0.00501   0.00078   0.00576   2.67529
   R47        2.63918   0.00146   0.00808  -0.00356   0.00454   2.64372
   R48        2.73711   0.00074  -0.00199  -0.00246  -0.00441   2.73270
   R49        2.63711   0.00228   0.00681  -0.00156   0.00530   2.64241
   R50        2.67496   0.00045   0.00523  -0.00603  -0.00062   2.67434
   R51        2.63860   0.00146   0.00392  -0.00095   0.00279   2.64139
   R52        2.64145   0.00069   0.00911  -0.00633   0.00303   2.64448
   R53        2.67083   0.00161   0.00640  -0.00364   0.00273   2.67356
   R54        2.64166   0.00120   0.00794  -0.00421   0.00364   2.64530
   R55        2.73698  -0.00011  -0.00398  -0.00494  -0.00889   2.72809
   R56        2.64192   0.00110   0.00527  -0.00169   0.00367   2.64559
   R57        2.67491   0.00092   0.00538  -0.00293   0.00244   2.67736
   R58        2.63907   0.00197   0.00848  -0.00036   0.00801   2.64708
   R59        2.64148   0.00071   0.00537  -0.00396   0.00148   2.64297
   R60        2.67106   0.00102   0.00537  -0.00409   0.00110   2.67216
   R61        2.64258   0.00043   0.00837  -0.00647   0.00214   2.64472
   R62        2.73198   0.00151   0.00082  -0.00190  -0.00113   2.73085
   R63        2.64127   0.00109   0.00405  -0.00204   0.00163   2.64290
   R64        2.67653   0.00029   0.00233  -0.00497  -0.00269   2.67385
   R65        2.63874   0.00171   0.00699  -0.00052   0.00652   2.64526
   R66        2.64165   0.00082   0.01214  -0.00497   0.00706   2.64871
   R67        2.62606   0.00239   0.00599  -0.00051   0.00523   2.63129
   R68        2.05210   0.00015   0.00240  -0.00036   0.00204   2.05414
   R69        2.64716   0.00157   0.00034   0.00262   0.00289   2.65005
   R70        2.04817   0.00094   0.00917   0.00031   0.00948   2.05765
   R71        2.63379   0.00057   0.00421  -0.00370   0.00070   2.63449
   R72        2.05075   0.00055   0.01876  -0.00543   0.01333   2.06408
   R73        2.04056   0.00183  -0.00109   0.00905   0.00796   2.04853
   R74        2.63594   0.00003   0.00346  -0.00494  -0.00153   2.63441
   R75        2.04571   0.00044   0.03131  -0.01200   0.01931   2.06502
   R76        2.64771   0.00160   0.00178   0.00172   0.00343   2.65114
   R77        2.05070   0.00041   0.00504  -0.00010   0.00495   2.05565
   R78        2.62848   0.00115   0.00248  -0.00146   0.00100   2.62948
   R79        2.05035   0.00031   0.00261   0.00021   0.00282   2.05317
   R80        2.05166   0.00023   0.00234  -0.00001   0.00233   2.05399
   R81        2.62879   0.00071   0.00071   0.00064   0.00129   2.63008
   R82        2.05121   0.00039   0.02246  -0.00816   0.01431   2.06551
   R83        2.64941   0.00136   0.00110   0.00193   0.00307   2.65248
   R84        2.05024   0.00045   0.00683  -0.00059   0.00623   2.05648
   R85        2.63566   0.00010   0.00456  -0.00483  -0.00016   2.63550
   R86        2.05016   0.00089   0.01114  -0.00048   0.01066   2.06082
   R87        2.04362   0.00153   0.00679   0.00491   0.01170   2.05532
   R88        2.63146   0.00082   0.00539  -0.00223   0.00308   2.63453
   R89        2.04293   0.00160   0.01406   0.00231   0.01637   2.05929
   R90        2.65400   0.00038  -0.00123  -0.00354  -0.00477   2.64923
   R91        2.05079   0.00042   0.00315   0.00023   0.00338   2.05417
   R92        2.62404   0.00232   0.00459   0.00071   0.00539   2.62943
   R93        2.05139  -0.00007  -0.00024  -0.00056  -0.00080   2.05059
   R94        2.05195   0.00020   0.00177   0.00012   0.00190   2.05384
   R95        2.62787   0.00142   0.00413  -0.00127   0.00296   2.63083
   R96        2.04970   0.00087   0.01002  -0.00024   0.00978   2.05948
   R97        2.65000   0.00054  -0.00201  -0.00237  -0.00433   2.64567
   R98        2.04955   0.00063   0.00745  -0.00020   0.00725   2.05679
   R99        2.63442   0.00043   0.00481  -0.00299   0.00177   2.63619
   R100       2.05044   0.00062   0.00873  -0.00069   0.00805   2.05849
   R101       2.04167   0.00182   0.00554   0.00713   0.01267   2.05434
   R102       2.63182   0.00070   0.00397  -0.00185   0.00250   2.63432
   R103       2.04478   0.00090  -0.00261   0.00547   0.00286   2.04764
   R104       2.65020   0.00169   0.00241   0.00099   0.00354   2.65374
   R105       2.05217  -0.00011   0.00145  -0.00105   0.00040   2.05258
   R106       2.62748   0.00080   0.00172  -0.00154  -0.00007   2.62741
   R107       2.05040   0.00013  -0.00180   0.00046  -0.00134   2.04906
   R108       2.05220   0.00028   0.00771  -0.00153   0.00617   2.05837
   R109       2.77335   0.00004  -0.00361   0.00245  -0.00116   2.77218
   R110       2.99189  -0.00444  -0.00245  -0.00331  -0.00575   2.98613
   R111       3.05452  -0.00374  -0.01167  -0.01943  -0.03110   3.02341
   R112       2.78215  -0.00235   0.00079   0.02024   0.02103   2.80318
   R113       2.75614  -0.00435  -0.01324  -0.01283  -0.02607   2.73006
   R114       2.86891  -0.00239  -0.00617  -0.00972  -0.01588   2.85303
   R115       2.05291  -0.00175   0.00912   0.00797   0.01710   2.07001
   R116       2.06586   0.00059   0.00802  -0.00099   0.00703   2.07290
   R117       2.06663   0.00033   0.00068   0.00137   0.00205   2.06868
   R118       2.06784   0.00062   0.02105  -0.00628   0.01477   2.08261
   R119       2.06402   0.00055   0.00564   0.00027   0.00590   2.06992
   R120       2.87681  -0.00024   0.00355  -0.00261   0.00094   2.87775
   R121       2.06314   0.00078   0.00059   0.00468   0.00527   2.06841
   R122       2.06442   0.00103   0.00649   0.00242   0.00892   2.07333
   R123       2.06400   0.00084   0.00686   0.00141   0.00827   2.07227
   R124       2.06906  -0.00111  -0.00416  -0.00354  -0.00770   2.06136
   R125       2.06299   0.00083   0.01144  -0.00060   0.01084   2.07383
   R126       5.63011  -0.00391  -0.07804  -0.13375  -0.21179   5.41832
    A1        2.07681   0.00087  -0.00831   0.00960   0.00132   2.07813
    A2        2.09312  -0.00074   0.01257  -0.01026   0.00225   2.09537
    A3        2.11297  -0.00012  -0.00403   0.00071  -0.00337   2.10960
    A4        2.12313  -0.00033   0.00829  -0.00680  -0.00030   2.12283
    A5        2.05229  -0.00023  -0.00601   0.00467  -0.00282   2.04947
    A6        2.09942   0.00082   0.00371   0.00835   0.01062   2.11005
    A7        2.07019   0.00013  -0.00075   0.00334   0.00184   2.07203
    A8        2.13796  -0.00018   0.00817  -0.00711   0.00134   2.13930
    A9        2.07095   0.00012  -0.00604   0.00494  -0.00110   2.06985
   A10        2.08017   0.00015  -0.00357   0.00669   0.00182   2.08199
   A11        2.11334  -0.00125   0.00192  -0.00666  -0.00509   2.10825
   A12        2.08676   0.00118   0.00381   0.00198   0.00585   2.09261
   A13        2.12185  -0.00110   0.00399  -0.00802  -0.00473   2.11712
   A14        2.06613   0.00027  -0.00872   0.00187  -0.00660   2.05953
   A15        2.09503   0.00083   0.00497   0.00629   0.01151   2.10653
   A16        2.08798   0.00051   0.00574   0.00095   0.00599   2.09396
   A17        2.10494  -0.00106  -0.01208  -0.00515  -0.01771   2.08723
   A18        2.08722   0.00066   0.00811   0.00679   0.01446   2.10168
   A19        2.10088  -0.00007  -0.00206   0.00115  -0.00095   2.09994
   A20        2.10419   0.00167   0.01194   0.00347   0.01533   2.11952
   A21        2.07736  -0.00158  -0.00920  -0.00461  -0.01391   2.06345
   A22        2.09628   0.00023   0.00675  -0.00599   0.00037   2.09665
   A23        2.03808   0.00277   0.00282   0.01657   0.01928   2.05736
   A24        2.14448  -0.00292  -0.00775  -0.00865  -0.01679   2.12769
   A25        2.06449   0.00144  -0.00753   0.00587  -0.00253   2.06196
   A26        2.17472  -0.00387  -0.00257  -0.01569  -0.01902   2.15570
   A27        2.04397   0.00243   0.01023   0.00993   0.02106   2.06503
   A28        2.08953  -0.00058   0.00047  -0.00344  -0.00302   2.08651
   A29        2.04172   0.00344   0.02270   0.00148   0.02411   2.06583
   A30        2.15191  -0.00286  -0.02316   0.00202  -0.02107   2.13084
   A31        2.12914   0.00033   0.00884  -0.00268   0.00592   2.13506
   A32        2.08172   0.00062   0.00144   0.00691   0.00838   2.09010
   A33        2.07064  -0.00092  -0.01039  -0.00301  -0.01338   2.05726
   A34        2.06486   0.00068  -0.00842   0.01165   0.00303   2.06789
   A35        2.12625  -0.00253   0.01420  -0.02338  -0.00910   2.11715
   A36        2.09126   0.00185  -0.00547   0.01154   0.00616   2.09742
   A37        2.09315  -0.00044   0.00346  -0.00407  -0.00068   2.09246
   A38        2.09740  -0.00011  -0.00392  -0.00170  -0.00561   2.09179
   A39        2.09258   0.00055   0.00042   0.00570   0.00612   2.09870
   A40        2.13763  -0.00152   0.00207  -0.00910  -0.00726   2.13038
   A41        2.08992   0.00001  -0.01510   0.00181  -0.01378   2.07615
   A42        2.05205   0.00157   0.01536   0.00875   0.02366   2.07572
   A43        2.07269   0.00110  -0.00165  -0.00762  -0.01140   2.06129
   A44        2.08388  -0.00479  -0.01110  -0.00577  -0.02081   2.06307
   A45        2.09649   0.00277   0.00027  -0.00420  -0.00839   2.08810
   A46        2.06091  -0.00031   0.00104   0.00759   0.00930   2.07020
   A47        2.18129  -0.00150   0.00466  -0.02369  -0.01956   2.16173
   A48        2.03693   0.00194  -0.00148   0.01693   0.01342   2.05035
   A49        2.13582  -0.00051  -0.01094   0.00438  -0.00629   2.12953
   A50        2.10735  -0.00089   0.00134  -0.00414  -0.00381   2.10354
   A51        2.03996   0.00140   0.00954  -0.00024   0.00990   2.04985
   A52        2.07314   0.00017   0.02023  -0.01261   0.00686   2.08000
   A53        2.12030  -0.00109   0.00661  -0.01016  -0.00731   2.11299
   A54        2.11764  -0.00004  -0.00111   0.00091  -0.00263   2.11501
   A55        2.03623   0.00143   0.00612   0.01494   0.01867   2.05490
   A56        2.12329   0.00031   0.01003  -0.00382   0.00528   2.12857
   A57        2.06289   0.00045   0.00439   0.00670   0.01137   2.07425
   A58        2.09402  -0.00071  -0.01399  -0.00120  -0.01491   2.07911
   A59        2.05039   0.00142  -0.01318   0.01808   0.00392   2.05431
   A60        2.11745  -0.00210  -0.00157  -0.01499  -0.01626   2.10120
   A61        2.11533   0.00068   0.01489  -0.00302   0.01216   2.12749
   A62        2.12210  -0.00140   0.00798  -0.01243  -0.00559   2.11650
   A63        2.03226   0.00104  -0.01379   0.01195  -0.00150   2.03076
   A64        2.12836   0.00036   0.00538   0.00079   0.00648   2.13484
   A65        2.20463  -0.00004   0.00590  -0.00027   0.00558   2.21021
   A66        2.19391  -0.00085   0.00557  -0.00601  -0.00049   2.19342
   A67        1.88336   0.00091  -0.01122   0.00696  -0.00433   1.87903
   A68        2.16803   0.00358   0.00486   0.02271   0.02755   2.19558
   A69        2.22883  -0.00395   0.00462  -0.02764  -0.02303   2.20581
   A70        1.88591   0.00036  -0.00954   0.00483  -0.00470   1.88122
   A71        2.19054  -0.00037   0.00654  -0.00456   0.00196   2.19250
   A72        2.20894  -0.00097  -0.00013  -0.00375  -0.00390   2.20504
   A73        1.88316   0.00133  -0.00647   0.00819   0.00175   1.88492
   A74        1.90028  -0.00081   0.00577  -0.00606  -0.00038   1.89990
   A75        2.26112   0.00104   0.00245   0.00387   0.00639   2.26750
   A76        2.11743  -0.00019  -0.00788   0.00319  -0.00479   2.11265
   A77        1.86944   0.00017  -0.00210   0.00219   0.00015   1.86958
   A78        2.09478  -0.00049   0.00300  -0.00354  -0.00061   2.09416
   A79        2.31807   0.00032  -0.00101   0.00135   0.00035   2.31841
   A80        1.87361  -0.00047   0.00173  -0.00325  -0.00165   1.87196
   A81        2.30993   0.00122  -0.00339   0.01067   0.00685   2.31678
   A82        2.09665  -0.00068   0.00318  -0.00592  -0.00302   2.09363
   A83        1.89552   0.00075   0.00414   0.00224   0.00632   1.90185
   A84        2.27366  -0.00142   0.00585  -0.01105  -0.00568   2.26798
   A85        2.11031   0.00068  -0.01060   0.00947  -0.00062   2.10969
   A86        1.90325  -0.00057   0.00610  -0.00374   0.00240   1.90564
   A87        2.26666  -0.00023   0.00113  -0.00436  -0.00313   2.26353
   A88        2.10912   0.00086  -0.00642   0.00960   0.00269   2.11181
   A89        1.86847  -0.00009  -0.00018   0.00035  -0.00006   1.86841
   A90        2.09656  -0.00099   0.00130  -0.00558  -0.00486   2.09170
   A91        2.31693   0.00114  -0.00000   0.00636   0.00611   2.32304
   A92        1.87018  -0.00045  -0.00283  -0.00080  -0.00352   1.86666
   A93        2.31583   0.00116  -0.00343   0.00837   0.00493   2.32076
   A94        2.09571  -0.00069   0.00635  -0.00697  -0.00080   2.09491
   A95        1.89921   0.00022   0.00840  -0.00247   0.00581   1.90503
   A96        2.26730  -0.00061   0.00271  -0.00461  -0.00214   2.26517
   A97        2.10924   0.00049  -0.01060   0.01018  -0.00052   2.10872
   A98        1.89791  -0.00013   0.00465  -0.00201   0.00237   1.90028
   A99        2.26795  -0.00114   0.00318  -0.00921  -0.00613   2.26181
   A100       2.10587   0.00146  -0.00478   0.01592   0.01008   2.11596
   A101       1.87402  -0.00087  -0.00304  -0.00298  -0.00566   1.86835
   A102       2.09392  -0.00018   0.00587  -0.00350   0.00103   2.09495
   A103       2.31522   0.00104  -0.00280   0.00642   0.00417   2.31939
   A104       1.86939   0.00004   0.00223   0.00141   0.00330   1.87269
   A105       2.31119   0.00162  -0.00061   0.01005   0.00924   2.32043
   A106       2.10144  -0.00162  -0.00085  -0.01055  -0.01150   2.08995
   A107       1.90013  -0.00037   0.00285  -0.00448  -0.00159   1.89854
   A108       2.27780  -0.00097   0.00344  -0.00802  -0.00459   2.27321
   A109       2.10244   0.00136  -0.00607   0.01341   0.00720   2.10963
   A110       2.08163  -0.00046   0.00116  -0.00311  -0.00224   2.07939
   A111       2.09646   0.00026  -0.00195   0.00220   0.00024   2.09671
   A112       2.10494   0.00021   0.00112   0.00103   0.00215   2.10709
   A113       2.09372   0.00117   0.00262   0.00848   0.01080   2.10451
   A114       2.09626  -0.00040   0.00130  -0.00402  -0.00291   2.09335
   A115       2.09311  -0.00075  -0.00340  -0.00432  -0.00791   2.08520
   A116       2.13001  -0.00186  -0.00688  -0.00935  -0.01584   2.11417
   A117       2.08503   0.00092   0.00260   0.00530   0.00771   2.09274
   A118       2.06814   0.00095   0.00428   0.00405   0.00813   2.07627
   A119       2.05312   0.00119   0.01182   0.00090   0.01135   2.06447
   A120       2.13743  -0.00110  -0.00206  -0.00684  -0.01137   2.12606
   A121       2.08842   0.00009  -0.00262   0.00934   0.00424   2.09265
   A122       2.05054   0.00078   0.00553   0.00131   0.00662   2.05716
   A123       2.13318  -0.00065  -0.00011  -0.00458  -0.00460   2.12858
   A124       2.09853  -0.00012  -0.00539   0.00359  -0.00171   2.09682
   A125       2.12437  -0.00035   0.00020  -0.00304  -0.00313   2.12124
   A126       2.07132   0.00037   0.00887   0.00065   0.00966   2.08098
   A127       2.08749  -0.00002  -0.00907   0.00239  -0.00653   2.08096
   A128       2.10071   0.00028  -0.00111   0.00252   0.00071   2.10142
   A129       2.09172  -0.00045   0.00212  -0.00365  -0.00183   2.08989
   A130       2.09074   0.00017  -0.00038   0.00120   0.00052   2.09125
   A131       2.07707  -0.00000   0.00134   0.00003   0.00120   2.07827
   A132       2.10012   0.00010  -0.00236   0.00066  -0.00166   2.09846
   A133       2.10598  -0.00010   0.00107  -0.00065   0.00046   2.10644
   A134       2.07848   0.00025   0.00067   0.00138   0.00157   2.08005
   A135       2.09971  -0.00011  -0.00103  -0.00106  -0.00237   2.09734
   A136       2.10412  -0.00011   0.00156   0.00039   0.00167   2.10579
   A137       2.10140  -0.00026  -0.00393   0.00074  -0.00324   2.09816
   A138       2.09095   0.00034   0.00810   0.00000   0.00800   2.09895
   A139       2.09082  -0.00008  -0.00414  -0.00074  -0.00497   2.08585
   A140       2.11932   0.00027   0.00346  -0.00008   0.00313   2.12245
   A141       2.09024  -0.00050  -0.00431  -0.00151  -0.00638   2.08385
   A142       2.07323   0.00026   0.00205   0.00206   0.00353   2.07676
   A143       2.05998  -0.00001   0.00485  -0.00404   0.00043   2.06041
   A144       2.12249  -0.00037  -0.00117  -0.00162  -0.00354   2.11895
   A145       2.09803   0.00048  -0.00127   0.00765   0.00563   2.10366
   A146       2.05474   0.00009   0.00724  -0.00214   0.00461   2.05934
   A147       2.12804  -0.00023  -0.00904  -0.00086  -0.00967   2.11837
   A148       2.09991   0.00014   0.00158   0.00321   0.00501   2.10492
   A149       2.12355  -0.00040  -0.00104  -0.00213  -0.00361   2.11993
   A150       2.07294   0.00036  -0.00383   0.00301  -0.00068   2.07226
   A151       2.08625   0.00005   0.00514  -0.00062   0.00466   2.09091
   A152       2.09846   0.00055  -0.00080   0.00386   0.00283   2.10129
   A153       2.08699  -0.00003   0.00039   0.00024   0.00069   2.08768
   A154       2.09769  -0.00051   0.00051  -0.00405  -0.00348   2.09421
   A155       2.07723   0.00005   0.00339  -0.00012   0.00314   2.08037
   A156       2.09727   0.00025   0.00359   0.00096   0.00458   2.10186
   A157       2.10819  -0.00030  -0.00723  -0.00066  -0.00786   2.10033
   A158       2.07620   0.00060   0.00503   0.00299   0.00782   2.08402
   A159       2.09800  -0.00011  -0.00443   0.00059  -0.00442   2.09358
   A160       2.10651  -0.00041   0.00135  -0.00201  -0.00123   2.10528
   A161       2.09853   0.00016  -0.00107   0.00288   0.00154   2.10007
   A162       2.09302   0.00016  -0.00056   0.00079  -0.00043   2.09259
   A163       2.09058  -0.00027   0.00332  -0.00273  -0.00006   2.09052
   A164       2.12288  -0.00040  -0.00167  -0.00210  -0.00391   2.11896
   A165       2.08588   0.00015  -0.00459   0.00269  -0.00218   2.08370
   A166       2.07372   0.00028   0.00710  -0.00003   0.00679   2.08051
   A167       2.05983  -0.00000   0.00611  -0.00418   0.00180   2.06163
   A168       2.13271  -0.00058  -0.00258  -0.00516  -0.00774   2.12496
   A169       2.09004   0.00060  -0.00332   0.00969   0.00636   2.09640
   A170       2.05870  -0.00064   0.00412  -0.00828  -0.00486   2.05383
   A171       2.13027  -0.00004  -0.00245  -0.00101  -0.00395   2.12631
   A172       2.09325   0.00072   0.00040   0.00987   0.00978   2.10303
   A173       2.12662  -0.00090  -0.00353  -0.00434  -0.00836   2.11827
   A174       2.06917   0.00053   0.00222   0.00264   0.00477   2.07394
   A175       2.08716   0.00038   0.00188   0.00199   0.00378   2.09093
   A176       2.09171   0.00179   0.00552   0.01122   0.01564   2.10735
   A177       2.09338  -0.00084  -0.00276  -0.00502  -0.00751   2.08587
   A178       2.09810  -0.00095  -0.00253  -0.00620  -0.00846   2.08964
   A179       2.08246  -0.00132   0.00035  -0.00660  -0.00945   2.07301
   A180       2.09549   0.00071  -0.00006   0.00478   0.00365   2.09914
   A181       2.10231   0.00074   0.00577   0.00399   0.00869   2.11099
   A182       1.97644  -0.00671  -0.02542  -0.01305  -0.03870   1.93774
   A183       1.77278  -0.00605  -0.00561  -0.00971  -0.01569   1.75708
   A184       1.82048   0.00946   0.01610   0.00475   0.02102   1.84151
   A185       2.07309   0.00273   0.00284   0.00556   0.00737   2.08046
   A186       1.94497   0.00005   0.00756   0.01740   0.02517   1.97014
   A187       1.85187   0.00146   0.00702  -0.00682   0.00018   1.85205
   A188       2.11125  -0.01108  -0.00700   0.03468   0.02768   2.13893
   A189       2.24730  -0.00005   0.01732  -0.02162  -0.00430   2.24300
   A190       1.88249   0.00047   0.00533  -0.01969  -0.01449   1.86800
   A191       1.91946  -0.01554  -0.04859  -0.01282  -0.06122   1.85825
   A192       1.86067   0.00687   0.00098   0.01424   0.01573   1.87640
   A193       1.91270   0.00741   0.01760  -0.00054   0.01586   1.92857
   A194       1.96768  -0.00271  -0.00343   0.01308   0.00887   1.97655
   A195       1.91964   0.00273   0.02550   0.00486   0.02982   1.94947
   A196       1.90796  -0.00041  -0.00921  -0.00361  -0.01300   1.89497
   A197       1.94719  -0.00047   0.00307  -0.00460  -0.00162   1.94557
   A198       1.91031  -0.00067  -0.00376  -0.00145  -0.00539   1.90492
   A199       1.89177   0.00011  -0.00309  -0.00145  -0.00462   1.88715
   A200       1.90743  -0.00012  -0.00858  -0.00238  -0.01124   1.89619
   A201       1.89877   0.00158   0.02171   0.01356   0.03519   1.93396
   A202       1.87194   0.00073   0.00697   0.00461   0.01146   1.88341
   A203       1.90552  -0.00072   0.00341  -0.01056  -0.00742   1.89810
   A204       1.89238  -0.00013  -0.00533   0.00322  -0.00210   1.89028
   A205       1.93826   0.00039   0.01201   0.00233   0.01427   1.95253
   A206       1.94697   0.00005  -0.00831   0.00474  -0.00352   1.94345
   A207       1.90756  -0.00033  -0.00845  -0.00450  -0.01292   1.89464
   A208       1.93070  -0.00086  -0.01403  -0.00596  -0.02003   1.91066
   A209       1.91418  -0.00009   0.00306   0.00044   0.00339   1.91757
   A210       1.94446   0.00079   0.00563   0.00482   0.01029   1.95475
   A211       1.88425   0.00046   0.00547   0.00300   0.00849   1.89274
   A212       1.90257  -0.00053  -0.00977  -0.00617  -0.01604   1.88653
   A213       1.88615   0.00024   0.01039   0.00404   0.01421   1.90035
   A214       2.15331  -0.02273  -0.03891  -0.00803  -0.04694   2.10637
    D1       -0.02251   0.00008  -0.00208   0.00583   0.00360  -0.01892
    D2        2.98093   0.00226   0.04057   0.05784   0.09793   3.07886
    D3        3.09394   0.00034   0.00641   0.00836   0.01465   3.10859
    D4       -0.18580   0.00252   0.04905   0.06037   0.10898  -0.07682
    D5        0.07299  -0.00127  -0.02020  -0.03498  -0.05526   0.01773
    D6        3.13041   0.00013   0.00181   0.00105   0.00226   3.13267
    D7       -3.04316  -0.00152  -0.02912  -0.03738  -0.06649  -3.10966
    D8        0.01426  -0.00013  -0.00710  -0.00135  -0.00897   0.00529
    D9        2.49769  -0.00302  -0.09540  -0.04522  -0.14064   2.35705
   D10       -0.70518  -0.00243  -0.08990  -0.02880  -0.11870  -0.82389
   D11       -0.66957  -0.00275  -0.08681  -0.04251  -0.12932  -0.79889
   D12        2.41074  -0.00215  -0.08131  -0.02609  -0.10737   2.30336
   D13       -0.07139   0.00163   0.03432   0.03758   0.07210   0.00071
   D14       -3.11460   0.00078   0.01940   0.02322   0.04275  -3.07185
   D15       -3.07117  -0.00052  -0.00848  -0.01549  -0.02439  -3.09556
   D16        0.16881  -0.00137  -0.02339  -0.02985  -0.05374   0.11507
   D17        0.11428  -0.00211  -0.04470  -0.05111  -0.09576   0.01852
   D18       -3.10967  -0.00087  -0.01839  -0.02274  -0.04112   3.13240
   D19       -3.12186  -0.00131  -0.02944  -0.03800  -0.06746   3.09386
   D20       -0.06263  -0.00006  -0.00312  -0.00963  -0.01282  -0.07545
   D21        3.06098   0.00122   0.02034   0.02960   0.04997   3.11095
   D22       -0.03849   0.00091   0.00476   0.02956   0.03398  -0.00451
   D23        0.01781   0.00037   0.00509   0.01532   0.02050   0.03831
   D24       -3.08166   0.00006  -0.01050   0.01528   0.00451  -3.07715
   D25       -0.06596   0.00096   0.02270   0.02323   0.04608  -0.01989
   D26        3.09625   0.00062   0.01183   0.01552   0.02750   3.12374
   D27       -3.12648  -0.00015  -0.00310  -0.00428  -0.00754  -3.13401
   D28        0.03574  -0.00048  -0.01397  -0.01199  -0.02612   0.00962
   D29       -0.06368  -0.00032  -0.01517  -0.00787  -0.02308  -0.08676
   D30        3.08494  -0.00029  -0.01696  -0.01576  -0.03320   3.05174
   D31        2.99525   0.00088   0.01078   0.02083   0.03170   3.02695
   D32       -0.13932   0.00091   0.00899   0.01293   0.02158  -0.11774
   D33       -0.02904   0.00081   0.00959   0.02089   0.03059   0.00155
   D34       -3.08733  -0.00049  -0.01095  -0.01419  -0.02585  -3.11317
   D35        3.09159   0.00114   0.02039   0.02866   0.04945   3.14105
   D36        0.03331  -0.00016  -0.00015  -0.00642  -0.00698   0.02633
   D37        0.15529  -0.00011   0.01216  -0.00340   0.00884   0.16414
   D38       -2.88920  -0.00088  -0.00578  -0.02451  -0.03075  -2.91995
   D39       -3.02778   0.00027   0.02821  -0.00318   0.02501  -3.00276
   D40        0.21092  -0.00050   0.01028  -0.02428  -0.01458   0.19634
   D41        3.03266   0.00009  -0.00012  -0.00470  -0.00444   3.02822
   D42       -0.17227   0.00055  -0.00265   0.01796   0.01567  -0.15659
   D43       -0.06737  -0.00025  -0.01572  -0.00487  -0.02039  -0.08776
   D44        3.01089   0.00021  -0.01826   0.01778  -0.00028   3.01061
   D45       -0.27831  -0.00065  -0.02970  -0.01522  -0.04510  -0.32341
   D46        2.85822  -0.00016  -0.01612   0.01111  -0.00568   2.85254
   D47        2.76004   0.00051  -0.00982   0.00867  -0.00174   2.75830
   D48       -0.38661   0.00100   0.00377   0.03500   0.03767  -0.34894
   D49       -0.17974   0.00086  -0.00299   0.03359   0.03093  -0.14881
   D50        2.86880   0.00182   0.02420   0.05298   0.07673   2.94553
   D51        3.06187  -0.00013  -0.02254   0.01163  -0.01050   3.05137
   D52       -0.17277   0.00082   0.00465   0.03102   0.03530  -0.13747
   D53        0.23287   0.00075   0.03047   0.02112   0.05163   0.28450
   D54       -2.91621   0.00074   0.03264   0.02954   0.06233  -2.85388
   D55       -2.90405   0.00032   0.01804  -0.00315   0.01442  -2.88963
   D56        0.23006   0.00031   0.02020   0.00527   0.02512   0.25518
   D57        2.89222  -0.00054  -0.03215   0.00048  -0.03188   2.86033
   D58       -0.51014  -0.00399  -0.09302  -0.07476  -0.16720  -0.67733
   D59       -0.25438  -0.00006  -0.01888   0.02652   0.00753  -0.24685
   D60        2.62645  -0.00352  -0.07976  -0.04873  -0.12778   2.49867
   D61        3.06733  -0.00037  -0.00380  -0.01387  -0.01683   3.05051
   D62       -0.06696  -0.00035  -0.00581  -0.02205  -0.02731  -0.09427
   D63       -0.11809   0.00107   0.01333   0.02807   0.04153  -0.07655
   D64        3.06670   0.00096   0.00611   0.03295   0.03903   3.10573
   D65        3.08646   0.00055   0.01546   0.00521   0.02103   3.10749
   D66       -0.01194   0.00045   0.00824   0.01009   0.01853   0.00659
   D67        0.15374  -0.00073  -0.00459  -0.01984  -0.02446   0.12928
   D68       -2.97594  -0.00046   0.00005  -0.01320  -0.01330  -2.98925
   D69       -3.03016  -0.00074   0.00308  -0.02552  -0.02237  -3.05253
   D70        0.12335  -0.00047   0.00772  -0.01887  -0.01122   0.11213
   D71       -2.45708   0.00148   0.05160   0.01519   0.06684  -2.39024
   D72        0.65008   0.00128   0.04882   0.01096   0.05991   0.70998
   D73        0.72835   0.00140   0.04434   0.02016   0.06438   0.79273
   D74       -2.44768   0.00120   0.04157   0.01593   0.05745  -2.39023
   D75       -0.00291  -0.00041  -0.00137  -0.01178  -0.01301  -0.01592
   D76       -3.05336  -0.00127  -0.02602  -0.03045  -0.05691  -3.11028
   D77        3.12681  -0.00068  -0.00602  -0.01845  -0.02429   3.10252
   D78        0.07635  -0.00155  -0.03067  -0.03712  -0.06819   0.00816
   D79        0.13681  -0.00096   0.00132  -0.03789  -0.03668   0.10013
   D80       -2.90466  -0.00256  -0.04086  -0.04913  -0.08992  -2.99458
   D81       -2.74208   0.00368   0.06396   0.03816   0.10253  -2.63956
   D82        0.49963   0.00208   0.02179   0.02692   0.04929   0.54892
   D83       -0.32041  -0.00005   0.03963   0.09937   0.13918  -0.18123
   D84       -2.56349   0.00491   0.05618   0.10725   0.16255  -2.40093
   D85        1.79728   0.00248   0.04554   0.11649   0.16148   1.95876
   D86        2.55681  -0.00383  -0.02233   0.02256   0.00124   2.55805
   D87        0.31373   0.00113  -0.00578   0.03044   0.02462   0.33835
   D88       -1.60869  -0.00130  -0.01642   0.03968   0.02354  -1.58515
   D89        0.03028   0.00077   0.01214   0.01979   0.03160   0.06187
   D90       -3.12347   0.00039  -0.00040   0.01920   0.01837  -3.10509
   D91        3.08006   0.00205   0.05131   0.02778   0.07952  -3.12360
   D92       -0.07368   0.00168   0.03877   0.02719   0.06630  -0.00738
   D93       -3.12063  -0.00137  -0.03835  -0.03366  -0.07213   3.09042
   D94       -0.12769   0.00124   0.03721   0.01429   0.05072  -0.07697
   D95        0.11984  -0.00284  -0.08019  -0.04432  -0.12462  -0.00478
   D96        3.11278  -0.00023  -0.00463   0.00364  -0.00177   3.11101
   D97       -0.06510   0.00004  -0.00997   0.01046   0.00093  -0.06416
   D98        3.08820   0.00041   0.00211   0.01105   0.01386   3.10206
   D99       -0.01276   0.00037   0.02194   0.00430   0.02636   0.01360
   D100       3.09649   0.00025  -0.00594   0.01518   0.00968   3.10617
   D101       3.11733   0.00000   0.01008   0.00378   0.01362   3.13095
   D102      -0.05661  -0.00012  -0.01780   0.01465  -0.00306  -0.05967
   D103      -0.08151   0.00202   0.06214   0.03079   0.09283   0.01132
   D104       2.97708   0.00268   0.06712   0.05408   0.12168   3.09877
   D105      -3.08107  -0.00036  -0.00915  -0.01401  -0.02427  -3.10534
   D106      -0.02247   0.00030  -0.00416   0.00928   0.00458  -0.01789
   D107      -0.00880   0.00020   0.00076   0.00304   0.00361  -0.00519
   D108       3.13821  -0.00050  -0.01167  -0.01070  -0.02211   3.11611
   D109      -3.06594  -0.00052  -0.00527  -0.02103  -0.02655  -3.09249
   D110       0.08107  -0.00122  -0.01770  -0.03476  -0.05227   0.02881
   D111       0.05473  -0.00135  -0.04222  -0.01984  -0.06193  -0.00720
   D112      -3.05274  -0.00124  -0.01277  -0.03150  -0.04407  -3.09681
   D113      -3.09228  -0.00066  -0.02999  -0.00616  -0.03589  -3.12817
   D114       0.08344  -0.00054  -0.00053  -0.01782  -0.01804   0.06541
   D115      -2.53574   0.00322   0.09625   0.05267   0.14887  -2.38687
   D116       0.64549   0.00335   0.09847   0.05673   0.15514   0.80064
   D117       0.61147   0.00249   0.08366   0.03836   0.12208   0.73355
   D118      -2.49048   0.00262   0.08588   0.04242   0.12835  -2.36212
   D119       3.11373  -0.00003  -0.00367   0.00211  -0.00153   3.11221
   D120      -0.12708   0.00068   0.00511   0.02054   0.02566  -0.10142
   D121       0.02443  -0.00049  -0.00880  -0.01155  -0.02028   0.00415
   D122       3.06680   0.00023  -0.00002   0.00688   0.00691   3.07371
   D123      -3.10865  -0.00012  -0.00009  -0.00424  -0.00431  -3.11296
   D124      -0.09958   0.00078   0.00350   0.02411   0.02766  -0.07192
   D125      -0.01895   0.00037   0.00502   0.00953   0.01445  -0.00449
   D126       2.99013   0.00126   0.00861   0.03788   0.04641   3.03654
   D127       3.11715   0.00016   0.00627   0.00421   0.01036   3.12751
   D128       0.07655  -0.00019   0.00289  -0.00732  -0.00456   0.07198
   D129       0.00421   0.00042   0.00841   0.00839   0.01667   0.02089
   D130      -3.03639   0.00006   0.00503  -0.00314   0.00175  -3.03464
   D131      -3.11678  -0.00034  -0.00618  -0.00531  -0.01157  -3.12835
   D132       0.11843  -0.00051   0.00258  -0.01444  -0.01196   0.10647
   D133      -0.00514  -0.00044  -0.00842  -0.00857  -0.01685  -0.02199
   D134      -3.05311  -0.00061   0.00034  -0.01770  -0.01724  -3.07036
   D135      -3.10363  -0.00003   0.00119  -0.00174  -0.00060  -3.10423
   D136       0.20258  -0.00150  -0.01868  -0.03692  -0.05552   0.14706
   D137       0.00450  -0.00018  -0.00062  -0.00535  -0.00603  -0.00153
   D138      -2.97247  -0.00165  -0.02049  -0.04053  -0.06095  -3.03342
   D139       3.09382   0.00019   0.00416   0.00423   0.00842   3.10224
   D140       0.03449  -0.00028   0.00137  -0.00968  -0.00830   0.02619
   D141      -0.01386   0.00033   0.00584   0.00791   0.01375  -0.00011
   D142      -3.07319  -0.00014   0.00305  -0.00601  -0.00297  -3.07616
   D143      -0.00168  -0.00023  -0.00512  -0.00496  -0.01012  -0.01179
   D144      -3.10327  -0.00023  -0.00248  -0.00515  -0.00758  -3.11085
   D145       3.04879   0.00018  -0.00142   0.00555   0.00398   3.05277
   D146      -0.05280   0.00018   0.00121   0.00536   0.00652  -0.04628
   D147       3.08998   0.00008  -0.00253   0.00484   0.00224   3.09221
   D148      -0.00541  -0.00016  -0.00314  -0.00301  -0.00618  -0.01159
   D149       0.06029  -0.00030  -0.00707  -0.00750  -0.01457   0.04572
   D150      -3.03510  -0.00054  -0.00768  -0.01534  -0.02299  -3.05809
   D151      -0.00148  -0.00004  -0.00005  -0.00029  -0.00024  -0.00171
   D152       3.05450   0.00083   0.01964   0.02066   0.04065   3.09516
   D153       3.09290  -0.00007  -0.00304  -0.00022  -0.00327   3.08963
   D154      -0.13431   0.00080   0.01665   0.02073   0.03762  -0.09669
   D155       0.02396  -0.00040  -0.01201  -0.00744  -0.01949   0.00447
   D156      -3.11161  -0.00073  -0.01792  -0.01416  -0.03207   3.13950
   D157      -3.06550  -0.00039  -0.00859  -0.00766  -0.01617  -3.08167
   D158       0.08210  -0.00071  -0.01450  -0.01437  -0.02875   0.05336
   D159       0.00408   0.00029   0.00520   0.00544   0.01058   0.01466
   D160       3.06244   0.00031  -0.00172   0.01231   0.01056   3.07300
   D161      -3.06438  -0.00055  -0.01116  -0.01341  -0.02465  -3.08903
   D162      -0.00602  -0.00054  -0.01808  -0.00654  -0.02466  -0.03068
   D163      -3.06396  -0.00045  -0.00502  -0.01671  -0.02191  -3.08587
   D164       0.09637  -0.00096  -0.01941  -0.02384  -0.04326   0.05311
   D165      -0.01688   0.00053   0.01658   0.00666   0.02330   0.00642
   D166      -3.13973   0.00001   0.00219  -0.00047   0.00195  -3.13778
   D167       3.07577   0.00009  -0.01120   0.00621  -0.00519   3.07058
   D168      -0.16479   0.00229   0.05113   0.04663   0.09721  -0.06758
   D169       0.03763  -0.00008  -0.00225  -0.00338  -0.00589   0.03174
   D170       3.08025   0.00212   0.06008   0.03704   0.09651  -3.10642
   D171      -0.02030   0.00041   0.00886   0.00911   0.01807  -0.00223
   D172      -3.11526  -0.00056  -0.00879  -0.01257  -0.02110  -3.13636
   D173      -3.07322  -0.00016   0.00055  -0.00651  -0.00594  -3.07917
   D174       0.11501  -0.00114  -0.01710  -0.02820  -0.04512   0.06989
   D175       3.13030   0.00071   0.02171   0.01191   0.03368  -3.11920
   D176      -0.04498   0.00075   0.01263   0.01942   0.03209  -0.01289
   D177      -0.12057   0.00141   0.03210   0.03145   0.06358  -0.05699
   D178       2.98733   0.00146   0.02302   0.03896   0.06199   3.04932
   D179       0.00847  -0.00017  -0.00586  -0.00310  -0.00900  -0.00053
   D180      -3.07305  -0.00052  -0.00792  -0.01508  -0.02305  -3.09610
   D181       3.09512   0.00089   0.01500   0.02195   0.03707   3.13219
   D182       0.01360   0.00054   0.01294   0.00997   0.02302   0.03662
   D183      -0.03036   0.00003  -0.01101   0.00571  -0.00523  -0.03559
   D184      -3.13868   0.00002  -0.00060  -0.00028  -0.00079  -3.13947
   D185      -3.11122  -0.00118  -0.03401  -0.02220  -0.05619   3.11578
   D186       0.06365  -0.00119  -0.02360  -0.02818  -0.05175   0.01190
   D187       0.00640  -0.00013   0.00062  -0.00399  -0.00330   0.00311
   D188      -3.01685  -0.00083  -0.00364  -0.02810  -0.03169  -3.04854
   D189       3.09698   0.00024   0.00201   0.00678   0.00883   3.10581
   D190       0.07372  -0.00046  -0.00225  -0.01732  -0.01956   0.05416
   D191       3.02337   0.00127   0.02480   0.03288   0.05777   3.08114
   D192      -0.07347   0.00043   0.00080   0.01465   0.01560  -0.05788
   D193      -0.05189   0.00087   0.02283   0.01939   0.04228  -0.00960
   D194       3.13446   0.00003  -0.00116   0.00116   0.00011   3.13457
   D195      -3.03496  -0.00130  -0.02515  -0.02921  -0.05420  -3.08916
   D196       0.02796   0.00006   0.00409   0.00021   0.00429   0.03225
   D197      -0.03957  -0.00034  -0.01978   0.00109  -0.01865  -0.05822
   D198       3.02336   0.00102   0.00946   0.03051   0.03984   3.06320
   D199       0.00631  -0.00004  -0.00471   0.00084  -0.00379   0.00252
   D200      -3.12838   0.00045   0.01063   0.00799   0.01863  -3.10976
   D201       3.00133   0.00100   0.01385   0.02956   0.04396   3.04528
   D202      -0.13337   0.00150   0.02920   0.03672   0.06637  -0.06699
   D203       3.03034   0.00140   0.04241   0.02536   0.06800   3.09835
   D204      -0.06385   0.00048   0.00629   0.01092   0.01746  -0.04640
   D205       0.07014  -0.00006   0.01955  -0.01162   0.00806   0.07820
   D206      -3.02405  -0.00098  -0.01657  -0.02606  -0.04248  -3.06654
   D207      -0.01464   0.00024   0.00818   0.00398   0.01209  -0.00255
   D208      -3.10286  -0.00057  -0.00705  -0.01638  -0.02376  -3.12662
   D209       3.11883  -0.00035  -0.00995  -0.00452  -0.01443   3.10440
   D210       0.03061  -0.00116  -0.02519  -0.02487  -0.05028  -0.01967
   D211       0.12104  -0.00252  -0.07227  -0.04520  -0.11696   0.00408
   D212      -3.10232  -0.00065  -0.01120  -0.01484  -0.02602  -3.12834
   D213      -3.01160  -0.00187  -0.05233  -0.03585  -0.08766  -3.09926
   D214       0.04822  -0.00001   0.00873  -0.00549   0.00329   0.05151
   D215       0.01760  -0.00035  -0.00856  -0.00737  -0.01595   0.00165
   D216       3.08666  -0.00006  -0.00561   0.00382  -0.00168   3.08497
   D217       3.11352   0.00045   0.00447   0.01075   0.01495   3.12847
   D218      -0.10061   0.00074   0.00742   0.02194   0.02922  -0.07140
   D219       3.11148   0.00094   0.02383   0.01945   0.04329  -3.12841
   D220      -0.10517   0.00206   0.04896   0.04316   0.09196  -0.01321
   D221       0.02904  -0.00002   0.00685  -0.00350   0.00342   0.03246
   D222       3.09557   0.00110   0.03198   0.02021   0.05208  -3.13553
   D223      -3.13539  -0.00029  -0.00635  -0.00779  -0.01410   3.13369
   D224       0.04379  -0.00067  -0.01238  -0.01868  -0.03103   0.01276
   D225       0.09652  -0.00072  -0.00985  -0.02223  -0.03212   0.06440
   D226      -3.00748  -0.00110  -0.01587  -0.03311  -0.04905  -3.05653
   D227       0.00717   0.00014   0.00503   0.00324   0.00860   0.01577
   D228      -3.11909  -0.00053  -0.01716  -0.00711  -0.02415   3.13994
   D229       3.12993   0.00066   0.01943   0.01041   0.03006  -3.12320
   D230       0.00367  -0.00002  -0.00275   0.00006  -0.00269   0.00098
   D231       0.02624  -0.00086  -0.02688  -0.01396  -0.04071  -0.01447
   D232      -3.11346  -0.00084  -0.02656  -0.01520  -0.04191   3.12782
   D233      -3.13065  -0.00019  -0.00464  -0.00363  -0.00807  -3.13873
   D234       0.01283  -0.00017  -0.00431  -0.00487  -0.00927   0.00357
   D235      -0.04804   0.00083   0.02475   0.01398   0.03865  -0.00939
   D236      -3.09355  -0.00123  -0.03577  -0.02431  -0.06080   3.12883
   D237       3.09168   0.00080   0.02442   0.01522   0.03983   3.13151
   D238       0.04616  -0.00125  -0.03610  -0.02308  -0.05962  -0.01345
   D239      -0.04158   0.00073   0.02440   0.01240   0.03682  -0.00476
   D240       3.10013   0.00083   0.02281   0.01635   0.03921   3.13934
   D241       3.05477   0.00095   0.02515   0.01986   0.04499   3.09976
   D242      -0.08671   0.00105   0.02356   0.02380   0.04739  -0.03932
   D243       0.01487  -0.00101  -0.03657  -0.01489  -0.05137  -0.03650
   D244      -3.13280  -0.00013  -0.00459  -0.00272  -0.00723  -3.14003
   D245      -3.12683  -0.00112  -0.03494  -0.01887  -0.05377   3.10258
   D246       0.00868  -0.00024  -0.00297  -0.00670  -0.00963  -0.00095
   D247      -0.00547   0.00081   0.02942   0.01198   0.04148   0.03601
   D248       3.13009   0.00114   0.03532   0.01872   0.05411  -3.09899
   D249      -3.14099  -0.00006  -0.00259  -0.00017  -0.00269   3.13951
   D250      -0.00543   0.00026   0.00331   0.00657   0.00994   0.00451
   D251      -0.00168  -0.00047  -0.02186  -0.00516  -0.02703  -0.02871
   D252      -3.13679  -0.00021  -0.00487  -0.00559  -0.01040   3.13599
   D253       3.09504   0.00037   0.00208   0.01307   0.01525   3.11029
   D254      -0.04007   0.00063   0.01908   0.01264   0.03188  -0.00819
   D255       0.03583  -0.00031  -0.00074  -0.01106  -0.01176   0.02407
   D256      -3.13669   0.00069   0.02961   0.00700   0.03642  -3.10027
   D257      -3.11224  -0.00057  -0.01781  -0.01062  -0.02821  -3.14045
   D258      -0.00157   0.00043   0.01253   0.00743   0.01996   0.01839
   D259      -0.01471   0.00069   0.02140   0.01276   0.03430   0.01959
   D260      -3.07878  -0.00060  -0.00742  -0.01581  -0.02323  -3.10201
   D261      -3.12567  -0.00028  -0.00843  -0.00506  -0.01352  -3.13918
   D262       0.09344  -0.00158  -0.03725  -0.03363  -0.07104   0.02240
   D263       0.04609  -0.00075  -0.02064  -0.01378  -0.03444   0.01165
   D264      -3.12757  -0.00033  -0.01200  -0.00410  -0.01619   3.13942
   D265      -3.06238  -0.00079  -0.01155  -0.02108  -0.03257  -3.09495
   D266       0.04714  -0.00037  -0.00292  -0.01140  -0.01432   0.03282
   D267       0.03608  -0.00036  -0.00588  -0.00873  -0.01462   0.02146
   D268      -3.09543  -0.00065  -0.01399  -0.01409  -0.02807  -3.12350
   D269      -3.07320  -0.00079  -0.01437  -0.01855  -0.03297  -3.10617
   D270       0.07848  -0.00108  -0.02248  -0.02390  -0.04642   0.03206
   D271      -0.04355   0.00073   0.02178   0.01268   0.03446  -0.00909
   D272       3.06455   0.00075   0.01145   0.01874   0.03027   3.09483
   D273       3.08790   0.00102   0.02994   0.01810   0.04799   3.13588
   D274      -0.08719   0.00104   0.01961   0.02416   0.04380  -0.04339
   D275       0.04280  -0.00071  -0.01718  -0.01439  -0.03167   0.01114
   D276       3.13506   0.00043   0.01292   0.00740   0.02015  -3.12798
   D277      -3.02335  -0.00184  -0.04208  -0.03834  -0.08053  -3.10388
   D278       0.06890  -0.00070  -0.01199  -0.01655  -0.02871   0.04019
   D279      -0.04578   0.00066   0.01474   0.01366   0.02830  -0.01748
   D280       3.05475   0.00144   0.03422   0.02976   0.06378   3.11852
   D281      -3.13810  -0.00049  -0.01513  -0.00819  -0.02345   3.12163
   D282      -0.03758   0.00029   0.00435   0.00790   0.01204  -0.02554
   D283      -0.02461   0.00014  -0.00099   0.00542   0.00435  -0.02025
   D284       3.08035   0.00048   0.00489   0.01571   0.02068   3.10103
   D285      -3.12541  -0.00063  -0.01995  -0.01063  -0.03086   3.12691
   D286      -0.02046  -0.00028  -0.01407  -0.00034  -0.01453  -0.03499
   D287       0.00262  -0.00052  -0.02604  -0.00546  -0.03173  -0.02911
   D288       3.12067   0.00019  -0.00635   0.00918   0.00254   3.12321
   D289       3.09786   0.00036   0.00913   0.00837   0.01773   3.11559
   D290      -0.06728   0.00107   0.02881   0.02301   0.05200  -0.01528
   D291      -0.01320  -0.00033  -0.01716  -0.00183  -0.01919  -0.03239
   D292       3.12857   0.00016   0.00544   0.00295   0.00834   3.13691
   D293      -3.13101  -0.00104  -0.03705  -0.01663  -0.05380   3.09837
   D294       0.01076  -0.00056  -0.01444  -0.01185  -0.02627  -0.01551
   D295      -0.04914   0.00183   0.06659   0.02699   0.09369   0.04456
   D296      -3.10863  -0.00004   0.00578  -0.00353   0.00235  -3.10628
   D297       3.09228   0.00135   0.04392   0.02219   0.06610  -3.12481
   D298       0.03278  -0.00053  -0.01689  -0.00833  -0.02524   0.00754
   D299       2.26201  -0.01765  -0.06307  -0.11478  -0.17797   2.08404
   D300       0.08222  -0.00570  -0.02687  -0.09337  -0.12001  -0.03779
   D301      -2.12291  -0.00917  -0.04546  -0.11539  -0.16096  -2.28387
   D302       1.28318  -0.00025  -0.00084  -0.00274  -0.00372   1.27946
   D303      -2.86156  -0.00238  -0.01727  -0.00590  -0.02307  -2.88463
   D304      -0.58092   0.00231  -0.00307   0.00855   0.00552  -0.57540
   D305      -2.77888   0.00111  -0.04150   0.05656   0.01436  -2.76452
   D306      -0.69377   0.00142  -0.04521   0.03673  -0.00788  -0.70165
   D307       1.38678   0.00023  -0.04088   0.04386   0.00309   1.38986
   D308       3.11995  -0.00111  -0.03992  -0.02192  -0.06183   3.05812
   D309      -1.06153  -0.00062  -0.01970  -0.02239  -0.04215  -1.10368
   D310       1.01520  -0.00151  -0.03103  -0.03200  -0.06300   0.95220
   D311      -2.89522  -0.00773  -0.03145  -0.03095  -0.06242  -2.95764
   D312      -0.80310  -0.00816  -0.03944  -0.03803  -0.07755  -0.88065
   D313       1.29932  -0.00693  -0.01288  -0.02497  -0.03799   1.26133
   D314       1.29857   0.00648   0.01379  -0.00349   0.01051   1.30908
   D315      -2.89249   0.00605   0.00580  -0.01057  -0.00462  -2.89711
   D316      -0.79007   0.00729   0.03236   0.00249   0.03495  -0.75512
   D317      -0.84570  -0.00056  -0.02882  -0.01843  -0.04727  -0.89297
   D318       1.24642  -0.00099  -0.03681  -0.02552  -0.06240   1.18402
   D319      -2.93434   0.00025  -0.01025  -0.01246  -0.02283  -2.95718
   D320      -1.03574   0.00860  -0.08078   0.18265   0.10147  -0.93427
   D321       1.03084   0.00433  -0.09260   0.15056   0.05744   1.08828
   D322      -3.07986   0.00784  -0.06888   0.17004   0.10209  -2.97777
   D323      -2.72212  -0.00124  -0.02071  -0.04320  -0.06381  -2.78593
   D324      -0.64563  -0.00125  -0.02069  -0.04290  -0.06357  -0.70920
   D325       1.44183  -0.00051  -0.00233  -0.03453  -0.03674   1.40509
   D326       1.48028  -0.00103  -0.03570  -0.03454  -0.07029   1.40999
   D327      -2.72641  -0.00105  -0.03567  -0.03424  -0.07006  -2.79647
   D328      -0.63895  -0.00030  -0.01731  -0.02586  -0.04323  -0.68218
   D329      -0.65235  -0.00092  -0.02758  -0.03374  -0.06128  -0.71363
   D330       1.42414  -0.00093  -0.02755  -0.03344  -0.06104   1.36310
   D331      -2.77158  -0.00019  -0.00920  -0.02506  -0.03421  -2.80580
         Item               Value     Threshold  Converged?
 Maximum Force            0.022731     0.000450     NO 
 RMS     Force            0.002128     0.000300     NO 
 Maximum Displacement     2.167848     0.001800     NO 
 RMS     Displacement     0.336768     0.001200     NO 
 Predicted change in Energy=-2.027553D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.545349    3.262974    0.005851
      2          6           0       -2.754538    1.885491   -0.014452
      3          6           0       -1.682378    0.977375   -0.087535
      4          6           0       -0.367930    1.484040   -0.140239
      5          6           0       -0.164192    2.876145   -0.095723
      6          6           0       -1.227107    3.754924   -0.024942
      7          6           0       -1.881244   -0.473681   -0.196357
      8          6           0       -0.756702   -1.350217   -0.305199
      9          6           0        0.573165   -0.844848   -0.107199
     10          6           0        0.781627    0.580080   -0.205428
     11          6           0       -3.166438   -1.035929   -0.228083
     12          6           0       -3.381240   -2.395834   -0.463734
     13          6           0       -2.269646   -3.209640   -0.769419
     14          6           0       -0.998640   -2.694558   -0.680316
     15          7           0        1.669759   -1.653541    0.133306
     16          6           0        2.951808   -1.097660   -0.030396
     17          6           0        3.060797    0.293327   -0.312210
     18          7           0        1.979164    1.102158   -0.356549
     19          6           0        4.141902   -1.846031    0.013854
     20          6           0        5.367222   -1.250547   -0.213922
     21          6           0        5.488496    0.132002   -0.487412
     22          6           0        4.326050    0.885095   -0.527713
     23          7           0       -3.648070    4.145820    0.039467
     24          7           0       -4.672197   -2.942813   -0.448647
     25          7           0        6.755169    0.709724   -0.684107
     26          6           0       -5.045815   -4.166874    0.156351
     27          6           0       -6.435904   -4.362382   -0.027074
     28          6           0       -6.934825   -3.215832   -0.753474
     29          6           0       -5.835129   -2.356557   -0.988227
     30          6           0       -3.790582    5.280286    0.859292
     31          6           0       -5.019162    5.916400    0.563367
     32          6           0       -5.654380    5.146039   -0.479294
     33          6           0       -4.787734    4.066832   -0.781864
     34          6           0        7.189332    1.940558   -0.147775
     35          6           0        8.500042    2.203556   -0.608635
     36          6           0        8.880107    1.098253   -1.458444
     37          6           0        7.791224    0.195141   -1.486194
     38          6           0       -8.198139   -2.884642   -1.251563
     39          6           0       -8.352104   -1.709478   -1.982398
     40          6           0       -7.252416   -0.876331   -2.233633
     41          6           0       -5.984249   -1.190253   -1.747055
     42          6           0       -4.286593   -5.058586    0.921612
     43          6           0       -4.931363   -6.175398    1.451167
     44          6           0       -6.298424   -6.404681    1.234918
     45          6           0       -7.060530   -5.490064    0.514617
     46          6           0       -6.845065    5.311755   -1.198307
     47          6           0       -7.154739    4.412712   -2.214611
     48          6           0       -6.265504    3.375005   -2.534945
     49          6           0       -5.071592    3.194029   -1.837191
     50          6           0       -2.966511    5.747847    1.889744
     51          6           0       -3.358923    6.899927    2.569696
     52          6           0       -4.547962    7.569725    2.248902
     53          6           0       -5.384616    7.079951    1.250792
     54          6           0       10.047331    0.800956   -2.171659
     55          6           0       10.105926   -0.363926   -2.931773
     56          6           0        9.002923   -1.223962   -2.993472
     57          6           0        7.830734   -0.954747   -2.286684
     58          6           0        6.570715    2.771135    0.793566
     59          6           0        7.252878    3.920162    1.190668
     60          6           0        8.531600    4.219671    0.693456
     61          6           0        9.173248    3.353967   -0.185158
     62          8           0        0.141691   -3.083532    1.887182
     63         15           0        1.446778   -3.117996    1.218168
     64          8           0        2.762351   -3.039397    2.090006
     65          8           0        1.622592   -4.389091    0.262576
     66          6           0        2.734304   -2.884226    3.564982
     67          6           0        4.073001   -2.319814    3.975705
     68          6           0        2.835051   -4.915196   -0.320756
     69          6           0        2.482390   -6.203970   -1.051321
     70          1           0       -3.778274    1.533806    0.070510
     71          1           0        0.857120    3.242765   -0.120615
     72          1           0       -1.053918    4.831057   -0.017838
     73          1           0       -4.026340   -0.417164   -0.027096
     74          1           0       -2.423409   -4.236399   -1.095609
     75          1           0       -0.158486   -3.323855   -0.946723
     76          1           0        4.131299   -2.901708    0.250475
     77          1           0        6.262855   -1.851464   -0.131549
     78          1           0        4.328090    1.937989   -0.769765
     79          1           0       -9.045522   -3.540787   -1.069919
     80          1           0       -9.330083   -1.439602   -2.377801
     81          1           0       -7.383243    0.036395   -2.819168
     82          1           0       -5.145795   -0.538042   -1.963264
     83          1           0       -3.229917   -4.881727    1.136763
     84          1           0       -4.361711   -6.884417    2.047909
     85          1           0       -6.771741   -7.284108    1.662750
     86          1           0       -8.127898   -5.643146    0.377887
     87          1           0       -7.518511    6.139710   -0.962387
     88          1           0       -8.077586    4.521798   -2.780934
     89          1           0       -6.503250    2.701675   -3.359193
     90          1           0       -4.378021    2.406781   -2.123787
     91          1           0       -2.061742    5.213868    2.179179
     92          1           0       -2.728972    7.272461    3.373430
     93          1           0       -4.816050    8.473540    2.786253
     94          1           0       -6.327096    7.575217    1.032437
     95          1           0       10.890187    1.491444   -2.148070
     96          1           0       11.014014   -0.609337   -3.479294
     97          1           0        9.057777   -2.120224   -3.610147
     98          1           0        6.973618   -1.616993   -2.379376
     99          1           0        5.594726    2.541463    1.204428
    100          1           0        6.782502    4.587125    1.907386
    101          1           0        9.033131    5.124058    1.019488
    102          1           0       10.178237    3.566723   -0.547346
    103          1           0        1.932940   -2.171204    3.787057
    104          1           0        2.529785   -3.871591    3.996881
    105          1           0        4.153097   -2.370698    5.066285
    106          1           0        4.904876   -2.899191    3.543428
    107          1           0        4.129485   -1.269773    3.669066
    108          1           0        3.254407   -4.164336   -0.997811
    109          1           0        3.554882   -5.097959    0.486834
    110          1           0        3.388270   -6.806870   -1.187051
    111          1           0        1.768857   -6.781062   -0.461634
    112          1           0        2.050447   -6.010270   -2.041395
    113         17           0        1.868836    0.399632    2.519052
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0371820           0.0180847           0.0135180
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10670.0569465137 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.79D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999875    0.015379    0.001284   -0.003545 Ang=   1.81 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.45470231     A.U. after   20 cycles
            NFock= 20  Conv=0.73D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.002106080   -0.002086961    0.000189598
      2        6          -0.003378787   -0.002088083    0.003761853
      3        6          -0.000077814   -0.001075999   -0.000665113
      4        6           0.000643956    0.001826140   -0.000885800
      5        6           0.004515005   -0.001177878   -0.000385349
      6        6          -0.001136141    0.005867149   -0.001248446
      7        6          -0.000190849   -0.001052564    0.000815990
      8        6          -0.002270822   -0.002347687   -0.002154363
      9        6           0.003307938    0.001645480    0.005173765
     10        6           0.001917026   -0.002390796   -0.000052363
     11        6          -0.000195943   -0.000847567    0.001013680
     12        6           0.004044778    0.001698009   -0.000794258
     13        6          -0.000532913   -0.005235102   -0.001571663
     14        6           0.001611502    0.000953554    0.000586896
     15        7          -0.002225017   -0.000161944   -0.011760832
     16        6          -0.001879223   -0.001551928    0.001613784
     17        6          -0.000669111    0.000584187   -0.003074052
     18        7           0.000954312    0.004448714   -0.004572568
     19        6           0.001287408   -0.003536564   -0.000737788
     20        6           0.000947285   -0.000641853    0.003079067
     21        6          -0.006739288   -0.000651075    0.001061691
     22        6          -0.000136762   -0.002172200   -0.006086405
     23        7          -0.004618021    0.002036688    0.000014134
     24        7          -0.003813660   -0.001794633    0.002134628
     25        7           0.003008968    0.003464228   -0.001361921
     26        6           0.001233729    0.000956945    0.001354881
     27        6           0.000764016    0.000844301    0.001852590
     28        6          -0.000203150   -0.000314369   -0.001882040
     29        6          -0.000354997    0.000669730   -0.004253988
     30        6           0.002463831   -0.001255797    0.004605391
     31        6           0.000069009    0.002976470   -0.000122742
     32        6          -0.001611000    0.000012015   -0.001782636
     33        6           0.001608423    0.001071315   -0.004144445
     34        6           0.000547466   -0.002515448    0.005015512
     35        6           0.000515391   -0.000009103   -0.000499519
     36        6           0.004045060   -0.001756383    0.000024959
     37        6          -0.002705681   -0.001518809   -0.003568048
     38        6          -0.000976176    0.000884477    0.000385313
     39        6          -0.003492978   -0.000366836   -0.001384688
     40        6           0.000254189    0.002310287   -0.000769501
     41        6           0.001333333    0.001476825    0.000457778
     42        6           0.006360984    0.002774766    0.000947700
     43        6           0.001062743   -0.001576575   -0.000515844
     44        6          -0.001544229    0.000266223    0.001365196
     45        6          -0.000147004   -0.000870454   -0.001162551
     46        6          -0.002711319    0.001528190    0.001883218
     47        6          -0.001042251    0.000723049   -0.000600674
     48        6           0.000755780   -0.002234797   -0.002086541
     49        6           0.001163510   -0.002777217   -0.000371599
     50        6           0.003354300   -0.002854716    0.000478144
     51        6           0.002962776   -0.001763476    0.000378443
     52        6          -0.001096236    0.000885670   -0.001369302
     53        6          -0.001263440   -0.001147915    0.002184790
     54        6           0.000497959    0.003167408   -0.001271041
     55        6           0.003819418    0.001962776    0.000503817
     56        6          -0.002143378   -0.002939212   -0.000765902
     57        6          -0.002260518   -0.000809906    0.000834462
     58        6          -0.001471308    0.000841002   -0.002625628
     59        6          -0.000380557   -0.001583865   -0.000557766
     60        6           0.001314757    0.000689205    0.001463536
     61        6          -0.000164067    0.001205300   -0.001876026
     62        8          -0.001410544   -0.002277740    0.000794991
     63       15           0.001944789    0.008296056    0.006836511
     64        8           0.000831578   -0.008813188   -0.001690995
     65        8          -0.003414475    0.002103032   -0.003498909
     66        6          -0.005951748    0.006556962   -0.000032085
     67        6           0.003137883   -0.000235410   -0.000883962
     68        6           0.003012235   -0.002565185    0.000148277
     69        6           0.002363826    0.001807300   -0.002752775
     70        1           0.002448389    0.000511534   -0.001279360
     71        1          -0.001611540   -0.000722178    0.000221009
     72        1           0.000188118   -0.004047967   -0.000094588
     73        1          -0.001289540    0.001257289    0.000125749
     74        1          -0.000094538    0.002784868    0.001688574
     75        1          -0.000536792   -0.000918334    0.000683003
     76        1           0.000408111    0.005951228    0.000220462
     77        1           0.001454689   -0.000775162   -0.000682990
     78        1           0.000978333    0.001999695    0.000871786
     79        1           0.000310839    0.000575183   -0.000580982
     80        1           0.001903252   -0.000465561    0.001157678
     81        1           0.000861466   -0.003697175    0.002635369
     82        1           0.000113636   -0.000969469   -0.000191722
     83        1          -0.005345352   -0.001107797   -0.002003141
     84        1          -0.000340586    0.001388512   -0.000783103
     85        1           0.000423538    0.000434024   -0.000427205
     86        1           0.000619339    0.000057998    0.000149192
     87        1           0.003255312   -0.003006477   -0.001327151
     88        1           0.001462490    0.000371557    0.001241893
     89        1           0.000620123    0.001791750    0.002118979
     90        1          -0.001829221    0.001280110    0.001136383
     91        1          -0.002806740    0.002200525   -0.001612299
     92        1          -0.000595833    0.000076678   -0.000723506
     93        1          -0.000510398   -0.000128259    0.000418289
     94        1           0.000692531    0.000121803   -0.000807099
     95        1          -0.001197817   -0.002239792    0.000221231
     96        1          -0.001911530    0.000538915    0.000543855
     97        1          -0.000876643    0.001674619    0.001344586
     98        1           0.001464571    0.001381388    0.001199751
     99        1          -0.000408552   -0.000353228   -0.000050026
    100        1           0.000401927    0.000011877   -0.000354809
    101        1           0.000353488    0.000828808    0.000453652
    102        1          -0.001851586   -0.000439197    0.001240871
    103        1           0.002065104   -0.003008877    0.001506616
    104        1          -0.000234729    0.001710190   -0.002699676
    105        1           0.000254271    0.000531183    0.000388103
    106        1          -0.003647473    0.002379007    0.002229492
    107        1           0.001378153   -0.002206985   -0.000788893
    108        1           0.000073331   -0.003198882   -0.001272680
    109        1          -0.001440223   -0.000311137   -0.000763819
    110        1          -0.001547059    0.000772939   -0.000649159
    111        1           0.000162961   -0.001310803    0.000840319
    112        1          -0.000258643   -0.000097421    0.003427793
    113       17          -0.001111012    0.000838807    0.015887104
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.015887104 RMS     0.002406104

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.050912159 RMS     0.004664530
 Search for a local minimum.
 Step number   8 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    7    8
 DE= -1.29D-02 DEPred=-2.03D-02 R= 6.36D-01
 TightC=F SS=  1.41D+00  RLast= 9.71D-01 DXNew= 2.4000D+00 2.9125D+00
 Trust test= 6.36D-01 RLast= 9.71D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00313   0.00636   0.00978   0.01175   0.01220
     Eigenvalues ---    0.01340   0.01694   0.01705   0.02085   0.02459
     Eigenvalues ---    0.02485   0.02494   0.02538   0.02554   0.02589
     Eigenvalues ---    0.02605   0.02634   0.02674   0.02681   0.02694
     Eigenvalues ---    0.02697   0.02703   0.02707   0.02711   0.02718
     Eigenvalues ---    0.02730   0.02736   0.02745   0.02763   0.02789
     Eigenvalues ---    0.02799   0.02801   0.02807   0.02812   0.02818
     Eigenvalues ---    0.02821   0.02825   0.02832   0.02849   0.02860
     Eigenvalues ---    0.02867   0.02877   0.02879   0.02881   0.02887
     Eigenvalues ---    0.02897   0.02900   0.02903   0.02908   0.02911
     Eigenvalues ---    0.02913   0.02918   0.02919   0.02922   0.02928
     Eigenvalues ---    0.02935   0.02939   0.02944   0.02948   0.02950
     Eigenvalues ---    0.02953   0.02953   0.02958   0.02958   0.02965
     Eigenvalues ---    0.02966   0.02967   0.02968   0.02973   0.02981
     Eigenvalues ---    0.02987   0.02990   0.02993   0.02998   0.03001
     Eigenvalues ---    0.03018   0.03024   0.03035   0.03055   0.03061
     Eigenvalues ---    0.03064   0.03074   0.03077   0.03086   0.03103
     Eigenvalues ---    0.03111   0.03119   0.03132   0.03146   0.03157
     Eigenvalues ---    0.03172   0.03180   0.03185   0.03205   0.03227
     Eigenvalues ---    0.03245   0.03258   0.03281   0.03358   0.03489
     Eigenvalues ---    0.03596   0.05264   0.05491   0.05665   0.05781
     Eigenvalues ---    0.05940   0.05964   0.06330   0.07694   0.09243
     Eigenvalues ---    0.10765   0.11391   0.11718   0.12475   0.13595
     Eigenvalues ---    0.14623   0.15956   0.15980   0.15982   0.15987
     Eigenvalues ---    0.15987   0.15988   0.15990   0.15991   0.15991
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16006   0.16011   0.16080   0.16185
     Eigenvalues ---    0.18160   0.19845   0.21458   0.21909   0.21992
     Eigenvalues ---    0.21994   0.21997   0.21998   0.22003   0.22167
     Eigenvalues ---    0.22294   0.22427   0.22453   0.22540   0.22577
     Eigenvalues ---    0.22587   0.22594   0.22614   0.22650   0.22971
     Eigenvalues ---    0.23271   0.23443   0.23581   0.23680   0.23977
     Eigenvalues ---    0.24244   0.24378   0.24384   0.24418   0.24440
     Eigenvalues ---    0.24466   0.24483   0.24581   0.24602   0.24719
     Eigenvalues ---    0.24830   0.24858   0.24867   0.24892   0.24911
     Eigenvalues ---    0.24926   0.24961   0.24965   0.24968   0.24973
     Eigenvalues ---    0.24976   0.24981   0.24986   0.24997   0.25283
     Eigenvalues ---    0.25614   0.26396   0.26744   0.27282   0.27875
     Eigenvalues ---    0.28325   0.28378   0.28747   0.28849   0.29211
     Eigenvalues ---    0.29328   0.29651   0.30067   0.30444   0.30637
     Eigenvalues ---    0.30657   0.30790   0.30917   0.31068   0.31125
     Eigenvalues ---    0.31250   0.31348   0.31389   0.31489   0.31675
     Eigenvalues ---    0.32084   0.32157   0.32234   0.32789   0.33193
     Eigenvalues ---    0.33554   0.33651   0.33961   0.34047   0.34175
     Eigenvalues ---    0.34500   0.34673   0.34938   0.34971   0.35159
     Eigenvalues ---    0.35505   0.35581   0.36384   0.36768   0.36945
     Eigenvalues ---    0.37140   0.37310   0.38946   0.41437   0.41547
     Eigenvalues ---    0.42031   0.42325   0.42631   0.43359   0.43819
     Eigenvalues ---    0.44486   0.45306   0.46395   0.47073   0.47095
     Eigenvalues ---    0.47167   0.47664   0.47948   0.48598   0.49702
     Eigenvalues ---    0.50230   0.50436   0.50555   0.50966   0.51639
     Eigenvalues ---    0.51845   0.52063   0.52212   0.52594   0.53085
     Eigenvalues ---    0.53136   0.53372   0.53772   0.54269   0.54323
     Eigenvalues ---    0.54996   0.55123   0.55375   0.55636   0.55743
     Eigenvalues ---    0.56023   0.56126   0.56218   0.56313   0.56528
     Eigenvalues ---    0.56646   0.56932   0.57186   0.57288   0.57515
     Eigenvalues ---    0.58010   0.58227   0.58288   0.58336   0.58456
     Eigenvalues ---    0.58541   0.58718   0.58917   0.59039   0.59458
     Eigenvalues ---    0.59724   0.59793   0.59835   0.60440   0.60859
     Eigenvalues ---    0.61223   0.61828   0.62855   0.63304   0.63663
     Eigenvalues ---    0.64488   0.65320   0.65997   0.66713   0.67787
     Eigenvalues ---    0.68871   0.72047   0.73017   0.74593   0.77155
     Eigenvalues ---    0.80462   0.82614   0.86638
 RFO step:  Lambda=-2.37689741D-02 EMin= 3.12511710D-03
 Quartic linear search produced a step of -0.24225.
 Iteration  1 RMS(Cart)=  0.14212578 RMS(Int)=  0.00428787
 Iteration  2 RMS(Cart)=  0.00904250 RMS(Int)=  0.00010772
 Iteration  3 RMS(Cart)=  0.00008521 RMS(Int)=  0.00010257
 Iteration  4 RMS(Cart)=  0.00000002 RMS(Int)=  0.00010257
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63319   0.00006   0.00235  -0.00367  -0.00133   2.63186
    R2        2.65957   0.00057  -0.00034   0.00240   0.00204   2.66161
    R3        2.67016  -0.00035  -0.00296   0.00582   0.00286   2.67302
    R4        2.65877  -0.00153  -0.00215   0.00237   0.00021   2.65899
    R5        2.05184  -0.00254  -0.00348  -0.00074  -0.00421   2.04763
    R6        2.66395   0.00091   0.00022   0.00067   0.00088   2.66484
    R7        2.77536  -0.00083  -0.00096   0.00404   0.00308   2.77844
    R8        2.66005  -0.00225  -0.00199   0.00225   0.00028   2.66033
    R9        2.76629  -0.00382  -0.00374   0.00407   0.00032   2.76661
   R10        2.60964   0.00009   0.00073  -0.00133  -0.00060   2.60903
   R11        2.05112  -0.00177  -0.00187  -0.00119  -0.00306   2.04806
   R12        2.05981  -0.00404  -0.00439  -0.00341  -0.00780   2.05201
   R13        2.70221  -0.00129   0.00112  -0.00246  -0.00134   2.70087
   R14        2.65158  -0.00111  -0.00133   0.00095  -0.00038   2.65121
   R15        2.71434   0.00098   0.00183  -0.00263  -0.00079   2.71354
   R16        2.67682  -0.00012   0.00004   0.00105   0.00108   2.67790
   R17        2.72771  -0.00186   0.00196  -0.01098  -0.00895   2.71876
   R18        2.61462  -0.00597   0.00256  -0.00652  -0.00406   2.61056
   R19        2.48519  -0.00139  -0.00011   0.00005   0.00010   2.48529
   R20        2.63954  -0.00072  -0.00022  -0.00034  -0.00054   2.63900
   R21        2.03766   0.00172  -0.00022   0.00406   0.00384   2.04150
   R22        2.66670  -0.00003  -0.00108   0.00357   0.00250   2.66920
   R23        2.64965   0.00006  -0.00166   0.00365   0.00199   2.65164
   R24        2.59705  -0.00028  -0.00046  -0.00152  -0.00198   2.59507
   R25        2.05648  -0.00317  -0.00332  -0.00335  -0.00667   2.04981
   R26        2.04654  -0.00020  -0.00148   0.00240   0.00092   2.04745
   R27        2.65871   0.00282   0.00423   0.00157   0.00564   2.66435
   R28        3.46973   0.00915  -0.01063   0.03196   0.02133   3.49107
   R29        2.68988   0.00432   0.00133   0.00666   0.00789   2.69777
   R30        2.65797   0.00166  -0.00014   0.00455   0.00437   2.66234
   R31        2.55365  -0.00303  -0.00012   0.00121   0.00120   2.55485
   R32        2.67080  -0.00218  -0.00293   0.00342   0.00049   2.67129
   R33        2.61021  -0.00028   0.00199  -0.00442  -0.00243   2.60778
   R34        2.04454  -0.00569  -0.00352  -0.00750  -0.01102   2.03351
   R35        2.67311   0.00050  -0.00119   0.00241   0.00126   2.67437
   R36        2.04409   0.00162   0.00003   0.00394   0.00397   2.04807
   R37        2.61852  -0.00434   0.00043  -0.00732  -0.00684   2.61168
   R38        2.65701   0.00135  -0.00021   0.00104   0.00083   2.65783
   R39        2.04159   0.00163   0.00040   0.00322   0.00362   2.04521
   R40        2.65870  -0.00191   0.00095  -0.00192  -0.00097   2.65774
   R41        2.65885  -0.00141   0.00199  -0.00278  -0.00079   2.65806
   R42        2.67511  -0.00459  -0.00132  -0.00246  -0.00377   2.67134
   R43        2.66395  -0.00001   0.00112   0.00123   0.00235   2.66630
   R44        2.66652  -0.00221   0.00158  -0.00148   0.00011   2.66663
   R45        2.66012  -0.00222   0.00158  -0.00231  -0.00075   2.65937
   R46        2.67529  -0.00080  -0.00140   0.00024  -0.00116   2.67413
   R47        2.64372  -0.00201  -0.00110   0.00022  -0.00088   2.64285
   R48        2.73270   0.00214   0.00107   0.00374   0.00481   2.73751
   R49        2.64241   0.00021  -0.00128   0.00377   0.00248   2.64489
   R50        2.67434   0.00066   0.00015   0.00228   0.00242   2.67676
   R51        2.64139   0.00066  -0.00068   0.00133   0.00068   2.64207
   R52        2.64448  -0.00163  -0.00074  -0.00109  -0.00185   2.64264
   R53        2.67356   0.00096  -0.00066   0.00452   0.00386   2.67742
   R54        2.64530  -0.00165  -0.00088  -0.00077  -0.00165   2.64365
   R55        2.72809   0.00316   0.00215   0.00270   0.00485   2.73294
   R56        2.64559  -0.00057  -0.00089   0.00107   0.00018   2.64577
   R57        2.67736   0.00034  -0.00059   0.00125   0.00067   2.67802
   R58        2.64708  -0.00141  -0.00194   0.00233   0.00040   2.64748
   R59        2.64297  -0.00034  -0.00036   0.00014  -0.00022   2.64274
   R60        2.67216   0.00092  -0.00027   0.00224   0.00201   2.67417
   R61        2.64472  -0.00146  -0.00052  -0.00152  -0.00207   2.64265
   R62        2.73085   0.00222   0.00027   0.00584   0.00612   2.73697
   R63        2.64290   0.00100  -0.00040   0.00163   0.00128   2.64418
   R64        2.67385   0.00178   0.00065   0.00095   0.00160   2.67544
   R65        2.64526  -0.00092  -0.00158   0.00187   0.00029   2.64555
   R66        2.64871  -0.00330  -0.00171  -0.00307  -0.00477   2.64394
   R67        2.63129  -0.00099  -0.00127   0.00350   0.00226   2.63355
   R68        2.05414  -0.00072  -0.00049  -0.00051  -0.00100   2.05314
   R69        2.65005   0.00087  -0.00070   0.00167   0.00097   2.65102
   R70        2.05765  -0.00223  -0.00230  -0.00251  -0.00481   2.05284
   R71        2.63449  -0.00014  -0.00017   0.00089   0.00070   2.63519
   R72        2.06408  -0.00461  -0.00323  -0.00618  -0.00941   2.05466
   R73        2.04853  -0.00055  -0.00193   0.00202   0.00010   2.04862
   R74        2.63441  -0.00049   0.00037  -0.00062  -0.00024   2.63416
   R75        2.06502  -0.00570  -0.00468  -0.01074  -0.01542   2.04961
   R76        2.65114   0.00109  -0.00083   0.00341   0.00258   2.65372
   R77        2.05565  -0.00144  -0.00120  -0.00132  -0.00252   2.05313
   R78        2.62948   0.00039  -0.00024   0.00154   0.00130   2.63078
   R79        2.05317  -0.00068  -0.00068  -0.00062  -0.00131   2.05186
   R80        2.05399  -0.00062  -0.00056  -0.00041  -0.00097   2.05302
   R81        2.63008  -0.00040  -0.00031  -0.00039  -0.00070   2.62938
   R82        2.06551  -0.00462  -0.00347  -0.00794  -0.01141   2.05410
   R83        2.65248   0.00083  -0.00074   0.00308   0.00232   2.65481
   R84        2.05648  -0.00188  -0.00151  -0.00193  -0.00344   2.05304
   R85        2.63550  -0.00125   0.00004  -0.00009  -0.00007   2.63543
   R86        2.06082  -0.00284  -0.00258  -0.00317  -0.00576   2.05507
   R87        2.05532  -0.00245  -0.00283  -0.00097  -0.00380   2.05152
   R88        2.63453  -0.00099  -0.00074   0.00085   0.00011   2.63464
   R89        2.05929  -0.00373  -0.00396  -0.00305  -0.00701   2.05228
   R90        2.64923   0.00259   0.00116   0.00163   0.00278   2.65201
   R91        2.05417  -0.00083  -0.00082  -0.00056  -0.00138   2.05279
   R92        2.62943   0.00001  -0.00131   0.00270   0.00139   2.63082
   R93        2.05059   0.00028   0.00019   0.00049   0.00069   2.05128
   R94        2.05384  -0.00046  -0.00046  -0.00019  -0.00065   2.05320
   R95        2.63083  -0.00050  -0.00072   0.00258   0.00185   2.63268
   R96        2.05948  -0.00245  -0.00237  -0.00292  -0.00529   2.05420
   R97        2.64567   0.00344   0.00105   0.00277   0.00381   2.64948
   R98        2.05679  -0.00196  -0.00176  -0.00184  -0.00359   2.05320
   R99        2.63619  -0.00111  -0.00043  -0.00005  -0.00048   2.63571
   R100       2.05849  -0.00224  -0.00195  -0.00238  -0.00433   2.05415
   R101       2.05434  -0.00209  -0.00307   0.00037  -0.00270   2.05164
   R102       2.63432  -0.00038  -0.00061  -0.00039  -0.00105   2.63327
   R103       2.04764   0.00044  -0.00069   0.00217   0.00148   2.04911
   R104       2.65374   0.00054  -0.00086   0.00316   0.00229   2.65603
   R105       2.05258  -0.00043  -0.00010  -0.00031  -0.00041   2.05217
   R106       2.62741   0.00057   0.00002   0.00127   0.00132   2.62873
   R107       2.04906   0.00100   0.00032   0.00098   0.00130   2.05037
   R108       2.05837  -0.00221  -0.00150  -0.00249  -0.00398   2.05438
   R109       2.77218   0.00182   0.00028  -0.00151  -0.00123   2.77095
   R110       2.98613   0.00426   0.00139  -0.01448  -0.01309   2.97305
   R111       3.02341   0.00472   0.00753  -0.00969  -0.00216   3.02125
   R112       2.80318   0.01614  -0.00509   0.01145   0.00635   2.80953
   R113       2.73006   0.00374   0.00632  -0.00444   0.00188   2.73194
   R114       2.85303   0.00141   0.00385  -0.00314   0.00071   2.85374
   R115       2.07001   0.00211  -0.00414  -0.00848  -0.01262   2.05738
   R116       2.07290  -0.00260  -0.00170  -0.00381  -0.00552   2.06738
   R117       2.06868   0.00039  -0.00050   0.00181   0.00131   2.06999
   R118       2.08261  -0.00487  -0.00358  -0.00864  -0.01222   2.07039
   R119       2.06992  -0.00201  -0.00143  -0.00246  -0.00389   2.06603
   R120       2.87775  -0.00153  -0.00023  -0.00240  -0.00263   2.87512
   R121       2.06841  -0.00154  -0.00128  -0.00177  -0.00305   2.06536
   R122       2.07333  -0.00152  -0.00216   0.00002  -0.00214   2.07119
   R123       2.07227  -0.00161  -0.00200  -0.00099  -0.00299   2.06928
   R124       2.06136   0.00117   0.00187  -0.00065   0.00121   2.06257
   R125       2.07383  -0.00294  -0.00263  -0.00346  -0.00608   2.06775
   R126       5.41832  -0.00589   0.05130  -0.24966  -0.19835   5.21997
    A1        2.07813   0.00204  -0.00032   0.01034   0.01002   2.08815
    A2        2.09537   0.00027  -0.00054  -0.00217  -0.00271   2.09266
    A3        2.10960  -0.00231   0.00082  -0.00807  -0.00726   2.10234
    A4        2.12283  -0.00176   0.00007  -0.00910  -0.00888   2.11395
    A5        2.04947   0.00160   0.00068   0.00570   0.00650   2.05597
    A6        2.11005   0.00018  -0.00257   0.00565   0.00319   2.11324
    A7        2.07203  -0.00037  -0.00044   0.00028  -0.00010   2.07193
    A8        2.13930  -0.00048  -0.00033  -0.00171  -0.00202   2.13728
    A9        2.06985   0.00083   0.00027   0.00245   0.00268   2.07253
   A10        2.08199   0.00235  -0.00044   0.00835   0.00803   2.09002
   A11        2.10825  -0.00010   0.00123  -0.00432  -0.00309   2.10516
   A12        2.09261  -0.00224  -0.00142  -0.00328  -0.00465   2.08796
   A13        2.11712  -0.00151   0.00114  -0.00831  -0.00713   2.10999
   A14        2.05953   0.00085   0.00160  -0.00059   0.00099   2.06052
   A15        2.10653   0.00066  -0.00279   0.00893   0.00613   2.11266
   A16        2.09396  -0.00074  -0.00145  -0.00053  -0.00192   2.09205
   A17        2.08723   0.00072   0.00429  -0.00709  -0.00276   2.08448
   A18        2.10168   0.00002  -0.00350   0.00843   0.00497   2.10665
   A19        2.09994  -0.00082   0.00023  -0.00226  -0.00200   2.09794
   A20        2.11952   0.00037  -0.00371   0.00661   0.00293   2.12245
   A21        2.06345   0.00045   0.00337  -0.00421  -0.00088   2.06256
   A22        2.09665  -0.00111  -0.00009  -0.00678  -0.00688   2.08977
   A23        2.05736   0.00146  -0.00467   0.01407   0.00933   2.06669
   A24        2.12769  -0.00033   0.00407  -0.00566  -0.00154   2.12615
   A25        2.06196   0.00130   0.00061   0.00669   0.00730   2.06927
   A26        2.15570  -0.00558   0.00461  -0.02766  -0.02303   2.13267
   A27        2.06503   0.00420  -0.00510   0.01970   0.01424   2.07926
   A28        2.08651  -0.00055   0.00073  -0.00553  -0.00481   2.08170
   A29        2.06583  -0.00214  -0.00584   0.01157   0.00570   2.07153
   A30        2.13084   0.00268   0.00510  -0.00609  -0.00103   2.12981
   A31        2.13506  -0.00194  -0.00143  -0.00555  -0.00701   2.12804
   A32        2.09010   0.00053  -0.00203   0.00642   0.00441   2.09450
   A33        2.05726   0.00142   0.00324  -0.00032   0.00294   2.06019
   A34        2.06789   0.00250  -0.00073   0.01224   0.01149   2.07939
   A35        2.11715   0.00001   0.00221  -0.01126  -0.00905   2.10810
   A36        2.09742  -0.00249  -0.00149  -0.00071  -0.00221   2.09521
   A37        2.09246  -0.00118   0.00017  -0.00475  -0.00461   2.08785
   A38        2.09179   0.00030   0.00136  -0.00147  -0.00009   2.09169
   A39        2.09870   0.00088  -0.00148   0.00609   0.00462   2.10332
   A40        2.13038  -0.00105   0.00176  -0.00536  -0.00364   2.12674
   A41        2.07615   0.00149   0.00334  -0.00585  -0.00246   2.07369
   A42        2.07572  -0.00044  -0.00573   0.01237   0.00669   2.08240
   A43        2.06129  -0.00459   0.00276  -0.01173  -0.00853   2.05276
   A44        2.06307  -0.00553   0.00504  -0.04095  -0.03499   2.02809
   A45        2.08810   0.01250   0.00203   0.04146   0.04434   2.13244
   A46        2.07020   0.00028  -0.00225  -0.00074  -0.00331   2.06689
   A47        2.16173   0.00244   0.00474   0.00142   0.00647   2.16820
   A48        2.05035  -0.00279  -0.00325  -0.00009  -0.00306   2.04729
   A49        2.12953   0.00214   0.00152   0.00527   0.00665   2.13618
   A50        2.10354   0.00156   0.00092   0.00208   0.00309   2.10663
   A51        2.04985  -0.00369  -0.00240  -0.00748  -0.00981   2.04004
   A52        2.08000  -0.00464  -0.00166  -0.00643  -0.00797   2.07203
   A53        2.11299   0.00074   0.00177  -0.00292  -0.00075   2.11225
   A54        2.11501   0.00057   0.00064   0.00131   0.00232   2.11733
   A55        2.05490  -0.00133  -0.00452   0.00285  -0.00130   2.05360
   A56        2.12857  -0.00116  -0.00128  -0.00067  -0.00185   2.12672
   A57        2.07425   0.00071  -0.00275   0.00930   0.00650   2.08075
   A58        2.07911   0.00048   0.00361  -0.00755  -0.00400   2.07511
   A59        2.05431   0.00236  -0.00095   0.00858   0.00778   2.06209
   A60        2.10120  -0.00024   0.00394  -0.00600  -0.00214   2.09906
   A61        2.12749  -0.00212  -0.00295  -0.00292  -0.00594   2.12155
   A62        2.11650  -0.00069   0.00136  -0.00729  -0.00584   2.11066
   A63        2.03076   0.00147   0.00036   0.00431   0.00460   2.03536
   A64        2.13484  -0.00072  -0.00157   0.00337   0.00174   2.13657
   A65        2.21021  -0.00352  -0.00135  -0.00583  -0.00719   2.20302
   A66        2.19342   0.00036   0.00012  -0.00091  -0.00079   2.19263
   A67        1.87903   0.00316   0.00105   0.00711   0.00819   1.88722
   A68        2.19558  -0.00505  -0.00667   0.00143  -0.00525   2.19033
   A69        2.20581   0.00292   0.00558  -0.00450   0.00107   2.20688
   A70        1.88122   0.00214   0.00114   0.00309   0.00424   1.88546
   A71        2.19250  -0.00081  -0.00048   0.00025  -0.00023   2.19227
   A72        2.20504  -0.00081   0.00095  -0.00397  -0.00303   2.20201
   A73        1.88492   0.00162  -0.00043   0.00361   0.00320   1.88812
   A74        1.89990   0.00014   0.00009  -0.00127  -0.00117   1.89873
   A75        2.26750  -0.00247  -0.00155  -0.00558  -0.00716   2.26035
   A76        2.11265   0.00236   0.00116   0.00776   0.00894   2.12158
   A77        1.86958  -0.00011  -0.00004   0.00106   0.00102   1.87061
   A78        2.09416  -0.00115   0.00015  -0.00607  -0.00591   2.08825
   A79        2.31841   0.00128  -0.00008   0.00508   0.00499   2.32340
   A80        1.87196  -0.00085   0.00040  -0.00131  -0.00089   1.87107
   A81        2.31678   0.00104  -0.00166   0.00595   0.00431   2.32109
   A82        2.09363  -0.00018   0.00073  -0.00368  -0.00293   2.09070
   A83        1.90185  -0.00130  -0.00153  -0.00169  -0.00321   1.89863
   A84        2.26798   0.00037   0.00138  -0.00328  -0.00189   2.26610
   A85        2.10969   0.00097   0.00015   0.00554   0.00564   2.11533
   A86        1.90564  -0.00125  -0.00058  -0.00509  -0.00567   1.89998
   A87        2.26353  -0.00081   0.00076  -0.00349  -0.00275   2.26078
   A88        2.11181   0.00207  -0.00065   0.00968   0.00907   2.12088
   A89        1.86841  -0.00049   0.00001   0.00078   0.00081   1.86922
   A90        2.09170  -0.00070   0.00118  -0.00735  -0.00614   2.08556
   A91        2.32304   0.00120  -0.00148   0.00679   0.00532   2.32836
   A92        1.86666   0.00000   0.00085   0.00038   0.00123   1.86788
   A93        2.32076   0.00115  -0.00119   0.00511   0.00389   2.32466
   A94        2.09491  -0.00115   0.00019  -0.00503  -0.00481   2.09010
   A95        1.90503  -0.00143  -0.00141  -0.00314  -0.00456   1.90047
   A96        2.26517  -0.00013   0.00052  -0.00154  -0.00107   2.26410
   A97        2.10872   0.00161   0.00013   0.00696   0.00708   2.11580
   A98        1.90028  -0.00017  -0.00057  -0.00143  -0.00201   1.89827
   A99        2.26181  -0.00095   0.00149  -0.00514  -0.00374   2.25807
   A100       2.11596   0.00119  -0.00244   0.01037   0.00800   2.12395
   A101       1.86835  -0.00024   0.00137  -0.00074   0.00062   1.86897
   A102       2.09495  -0.00131  -0.00025  -0.00674  -0.00684   2.08811
   A103       2.31939   0.00156  -0.00101   0.00714   0.00605   2.32545
   A104       1.87269  -0.00135  -0.00080  -0.00089  -0.00167   1.87102
   A105       2.32043   0.00124  -0.00224   0.00633   0.00408   2.32450
   A106       2.08995   0.00012   0.00278  -0.00505  -0.00228   2.08766
   A107       1.89854   0.00014   0.00039  -0.00054  -0.00015   1.89838
   A108       2.27321  -0.00176   0.00111  -0.00865  -0.00755   2.26566
   A109       2.10963   0.00163  -0.00174   0.00989   0.00815   2.11778
   A110       2.07939  -0.00018   0.00054  -0.00060  -0.00002   2.07936
   A111       2.09671   0.00049  -0.00006   0.00075   0.00069   2.09740
   A112       2.10709  -0.00030  -0.00052  -0.00017  -0.00070   2.10639
   A113       2.10451  -0.00070  -0.00262   0.00133  -0.00125   2.10326
   A114       2.09335  -0.00001   0.00071  -0.00094  -0.00021   2.09313
   A115       2.08520   0.00071   0.00192  -0.00062   0.00132   2.08652
   A116       2.11417   0.00145   0.00384  -0.00011   0.00369   2.11786
   A117       2.09274  -0.00091  -0.00187  -0.00025  -0.00209   2.09065
   A118       2.07627  -0.00054  -0.00197   0.00035  -0.00160   2.07467
   A119       2.06447  -0.00136  -0.00275  -0.00279  -0.00538   2.05908
   A120       2.12606   0.00016   0.00276  -0.00561  -0.00261   2.12345
   A121       2.09265   0.00119  -0.00103   0.00823   0.00745   2.10011
   A122       2.05716  -0.00086  -0.00160  -0.00281  -0.00438   2.05278
   A123       2.12858  -0.00052   0.00111  -0.00217  -0.00108   2.12750
   A124       2.09682   0.00140   0.00041   0.00525   0.00565   2.10247
   A125       2.12124  -0.00021   0.00076  -0.00141  -0.00062   2.12062
   A126       2.08098  -0.00068  -0.00234   0.00286   0.00050   2.08149
   A127       2.08096   0.00089   0.00158  -0.00146   0.00010   2.08106
   A128       2.10142   0.00020  -0.00017   0.00190   0.00182   2.10324
   A129       2.08989  -0.00025   0.00044  -0.00159  -0.00110   2.08879
   A130       2.09125   0.00008  -0.00012  -0.00087  -0.00095   2.09030
   A131       2.07827  -0.00031  -0.00029   0.00037   0.00011   2.07838
   A132       2.09846   0.00029   0.00040  -0.00116  -0.00077   2.09769
   A133       2.10644   0.00002  -0.00011   0.00074   0.00063   2.10706
   A134       2.08005   0.00010  -0.00038   0.00034   0.00003   2.08008
   A135       2.09734   0.00003   0.00057  -0.00173  -0.00112   2.09621
   A136       2.10579  -0.00013  -0.00040   0.00144   0.00107   2.10686
   A137       2.09816   0.00071   0.00078   0.00228   0.00306   2.10122
   A138       2.09895  -0.00088  -0.00194   0.00091  -0.00101   2.09794
   A139       2.08585   0.00018   0.00120  -0.00329  -0.00207   2.08377
   A140       2.12245  -0.00049  -0.00076  -0.00078  -0.00151   2.12094
   A141       2.08385   0.00039   0.00155  -0.00131   0.00030   2.08415
   A142       2.07676   0.00010  -0.00086   0.00172   0.00093   2.07769
   A143       2.06041  -0.00075  -0.00010  -0.00361  -0.00365   2.05675
   A144       2.11895   0.00022   0.00086  -0.00082   0.00012   2.11906
   A145       2.10366   0.00053  -0.00136   0.00500   0.00371   2.10737
   A146       2.05934  -0.00111  -0.00112  -0.00292  -0.00401   2.05534
   A147       2.11837   0.00062   0.00234  -0.00348  -0.00116   2.11721
   A148       2.10492   0.00051  -0.00121   0.00657   0.00533   2.11025
   A149       2.11993  -0.00001   0.00088  -0.00224  -0.00133   2.11861
   A150       2.07226   0.00036   0.00017  -0.00088  -0.00073   2.07153
   A151       2.09091  -0.00035  -0.00113   0.00326   0.00212   2.09303
   A152       2.10129   0.00036  -0.00069   0.00415   0.00349   2.10478
   A153       2.08768   0.00005  -0.00017  -0.00054  -0.00071   2.08697
   A154       2.09421  -0.00041   0.00084  -0.00364  -0.00280   2.09141
   A155       2.08037  -0.00057  -0.00076   0.00076   0.00000   2.08037
   A156       2.10186  -0.00011  -0.00111   0.00130   0.00018   2.10204
   A157       2.10033   0.00070   0.00190  -0.00185   0.00004   2.10037
   A158       2.08402  -0.00117  -0.00189  -0.00135  -0.00323   2.08079
   A159       2.09358   0.00097   0.00107   0.00023   0.00134   2.09492
   A160       2.10528   0.00021   0.00030   0.00183   0.00217   2.10745
   A161       2.10007   0.00019  -0.00037   0.00295   0.00261   2.10268
   A162       2.09259  -0.00011   0.00010  -0.00297  -0.00278   2.08981
   A163       2.09052  -0.00008   0.00002  -0.00003   0.00007   2.09059
   A164       2.11896   0.00024   0.00095  -0.00040   0.00055   2.11951
   A165       2.08370   0.00047   0.00053   0.00001   0.00057   2.08427
   A166       2.08051  -0.00071  -0.00164   0.00049  -0.00112   2.07939
   A167       2.06163  -0.00098  -0.00044  -0.00438  -0.00482   2.05681
   A168       2.12496  -0.00018   0.00188  -0.00387  -0.00199   2.12298
   A169       2.09640   0.00116  -0.00154   0.00845   0.00691   2.10332
   A170       2.05383  -0.00036   0.00118  -0.00524  -0.00396   2.04987
   A171       2.12631  -0.00013   0.00096  -0.00267  -0.00165   2.12467
   A172       2.10303   0.00049  -0.00237   0.00786   0.00555   2.10859
   A173       2.11827   0.00084   0.00202  -0.00020   0.00187   2.12014
   A174       2.07394  -0.00010  -0.00116   0.00104  -0.00011   2.07383
   A175       2.09093  -0.00074  -0.00091  -0.00101  -0.00192   2.08901
   A176       2.10735  -0.00095  -0.00379   0.00188  -0.00177   2.10558
   A177       2.08587   0.00038   0.00182  -0.00139   0.00040   2.08627
   A178       2.08964   0.00058   0.00205  -0.00073   0.00129   2.09093
   A179       2.07301   0.00067   0.00229   0.00027   0.00296   2.07597
   A180       2.09914   0.00013  -0.00088  -0.00089  -0.00163   2.09752
   A181       2.11099  -0.00080  -0.00210   0.00029  -0.00167   2.10933
   A182       1.93774   0.00907   0.00938  -0.01515  -0.00646   1.93127
   A183       1.75708   0.03290   0.00380   0.05796   0.06168   1.81876
   A184       1.84151  -0.02697  -0.00509  -0.02244  -0.02790   1.81361
   A185       2.08046  -0.00921  -0.00178  -0.00421  -0.00627   2.07419
   A186       1.97014  -0.00092  -0.00610  -0.01501  -0.02156   1.94858
   A187       1.85205  -0.00481  -0.00004   0.00334   0.00367   1.85573
   A188       2.13893   0.01914  -0.00671  -0.01881  -0.02552   2.11342
   A189       2.24300   0.01231   0.00104   0.03760   0.03864   2.28164
   A190       1.86800  -0.00276   0.00351   0.00045   0.00375   1.87174
   A191       1.85825   0.03362   0.01483   0.00069   0.01526   1.87351
   A192       1.87640  -0.01685  -0.00381  -0.01913  -0.02299   1.85341
   A193       1.92857  -0.01054  -0.00384   0.02399   0.02021   1.94878
   A194       1.97655   0.00760  -0.00215   0.00318   0.00118   1.97773
   A195       1.94947  -0.00907  -0.00722  -0.01035  -0.01745   1.93202
   A196       1.89497   0.00071   0.00315  -0.00419  -0.00101   1.89396
   A197       1.94557   0.00019   0.00039   0.00107   0.00148   1.94705
   A198       1.90492   0.00063   0.00131  -0.00155  -0.00022   1.90470
   A199       1.88715  -0.00035   0.00112  -0.00315  -0.00201   1.88513
   A200       1.89619  -0.00014   0.00272  -0.00495  -0.00219   1.89400
   A201       1.93396  -0.00102  -0.00853   0.01226   0.00374   1.93770
   A202       1.88341  -0.00124  -0.00278   0.00076  -0.00201   1.88139
   A203       1.89810   0.00147   0.00180   0.00002   0.00183   1.89993
   A204       1.89028   0.00107   0.00051   0.00641   0.00691   1.89719
   A205       1.95253  -0.00196  -0.00346  -0.00500  -0.00846   1.94407
   A206       1.94345  -0.00021   0.00085  -0.00270  -0.00185   1.94159
   A207       1.89464   0.00099   0.00313   0.00095   0.00405   1.89870
   A208       1.91066   0.00080   0.00485  -0.00653  -0.00167   1.90899
   A209       1.91757   0.00039  -0.00082   0.00219   0.00138   1.91896
   A210       1.95475  -0.00090  -0.00249   0.00108  -0.00139   1.95335
   A211       1.89274  -0.00045  -0.00206   0.00301   0.00096   1.89369
   A212       1.88653   0.00026   0.00389  -0.00550  -0.00161   1.88493
   A213       1.90035  -0.00010  -0.00344   0.00577   0.00237   1.90272
   A214       2.10637   0.05091   0.01137   0.00223   0.01360   2.11997
    D1       -0.01892   0.00021  -0.00087   0.00378   0.00290  -0.01602
    D2        3.07886   0.00064  -0.02372   0.06230   0.03866   3.11752
    D3        3.10859   0.00032  -0.00355   0.01188   0.00833   3.11692
    D4       -0.07682   0.00076  -0.02640   0.07040   0.04410  -0.03272
    D5        0.01773  -0.00024   0.01339  -0.03439  -0.02099  -0.00326
    D6        3.13267  -0.00005  -0.00055   0.00054   0.00006   3.13273
    D7       -3.10966  -0.00038   0.01611  -0.04261  -0.02649  -3.13615
    D8        0.00529  -0.00019   0.00217  -0.00768  -0.00545  -0.00016
    D9        2.35705  -0.00150   0.03407  -0.09821  -0.06410   2.29294
   D10       -0.82389  -0.00137   0.02876  -0.08390  -0.05515  -0.87904
   D11       -0.79889  -0.00134   0.03133  -0.08981  -0.05848  -0.85737
   D12        2.30336  -0.00121   0.02601  -0.07550  -0.04953   2.25383
   D13        0.00071   0.00017  -0.01747   0.04322   0.02569   0.02640
   D14       -3.07185   0.00045  -0.01036   0.02560   0.01521  -3.05664
   D15       -3.09556  -0.00031   0.00591  -0.01731  -0.01132  -3.10688
   D16        0.11507  -0.00004   0.01302  -0.03492  -0.02180   0.09326
   D17        0.01852  -0.00049   0.02320  -0.05940  -0.03632  -0.01779
   D18        3.13240  -0.00034   0.00996  -0.02781  -0.01783   3.11457
   D19        3.09386  -0.00080   0.01634  -0.04266  -0.02642   3.06745
   D20       -0.07545  -0.00066   0.00311  -0.01107  -0.00793  -0.08337
   D21        3.11095   0.00052  -0.01211   0.03602   0.02393   3.13488
   D22       -0.00451   0.00082  -0.00823   0.02954   0.02133   0.01683
   D23        0.03831   0.00084  -0.00497   0.01851   0.01355   0.05186
   D24       -3.07715   0.00114  -0.00109   0.01203   0.01096  -3.06619
   D25       -0.01989   0.00046  -0.01116   0.03010   0.01892  -0.00096
   D26        3.12374   0.00013  -0.00666   0.01693   0.01026   3.13401
   D27       -3.13401   0.00029   0.00183  -0.00118   0.00059  -3.13342
   D28        0.00962  -0.00005   0.00633  -0.01436  -0.00807   0.00155
   D29       -0.08676  -0.00065   0.00559  -0.01685  -0.01129  -0.09805
   D30        3.05174  -0.00260   0.00804  -0.03408  -0.02618   3.02556
   D31        3.02695  -0.00043  -0.00768   0.01512   0.00738   3.03433
   D32       -0.11774  -0.00239  -0.00523  -0.00212  -0.00751  -0.12525
   D33        0.00155  -0.00009  -0.00741   0.01756   0.01011   0.01166
   D34       -3.11317  -0.00029   0.00626  -0.01742  -0.01108  -3.12425
   D35        3.14105   0.00026  -0.01198   0.03108   0.01903  -3.12311
   D36        0.02633   0.00006   0.00169  -0.00390  -0.00217   0.02416
   D37        0.16414  -0.00005  -0.00214   0.00161  -0.00061   0.16353
   D38       -2.91995  -0.00053   0.00745  -0.02968  -0.02227  -2.94222
   D39       -3.00276  -0.00035  -0.00606   0.00804   0.00196  -3.00081
   D40        0.19634  -0.00082   0.00353  -0.02325  -0.01970   0.17664
   D41        3.02822  -0.00021   0.00108  -0.00168  -0.00057   3.02765
   D42       -0.15659   0.00019  -0.00380   0.01371   0.00992  -0.14668
   D43       -0.08776   0.00011   0.00494  -0.00805  -0.00310  -0.09086
   D44        3.01061   0.00051   0.00007   0.00734   0.00739   3.01799
   D45       -0.32341  -0.00153   0.01092  -0.03172  -0.02083  -0.34424
   D46        2.85254   0.00119   0.00138   0.01184   0.01301   2.86555
   D47        2.75830  -0.00098   0.00042   0.00152   0.00194   2.76024
   D48       -0.34894   0.00174  -0.00912   0.04508   0.03579  -0.31316
   D49       -0.14881   0.00094  -0.00749   0.03195   0.02447  -0.12434
   D50        2.94553   0.00096  -0.01859   0.06142   0.04291   2.98844
   D51        3.05137   0.00049   0.00254   0.00009   0.00252   3.05389
   D52       -0.13747   0.00050  -0.00855   0.02957   0.02095  -0.11651
   D53        0.28450   0.00184  -0.01251   0.03913   0.02675   0.31125
   D54       -2.85388   0.00388  -0.01510   0.05700   0.04214  -2.81174
   D55       -2.88963  -0.00093  -0.00349  -0.00307  -0.00678  -2.89641
   D56        0.25518   0.00111  -0.00609   0.01480   0.00861   0.26379
   D57        2.86033  -0.00144   0.00772  -0.02449  -0.01647   2.84386
   D58       -0.67733   0.00780   0.04050  -0.04484  -0.00411  -0.68145
   D59       -0.24685   0.00133  -0.00182   0.01938   0.01769  -0.22916
   D60        2.49867   0.01058   0.03095  -0.00096   0.03005   2.52872
   D61        3.05051   0.00130   0.00408  -0.00310   0.00113   3.05164
   D62       -0.09427  -0.00072   0.00661  -0.02080  -0.01419  -0.10846
   D63       -0.07655   0.00075  -0.01006   0.03305   0.02301  -0.05354
   D64        3.10573   0.00020  -0.00945   0.02531   0.01585   3.12158
   D65        3.10749   0.00037  -0.00509   0.01777   0.01268   3.12017
   D66        0.00659  -0.00017  -0.00449   0.01003   0.00552   0.01211
   D67        0.12928  -0.00081   0.00592  -0.02472  -0.01884   0.11045
   D68       -2.98925  -0.00088   0.00322  -0.01806  -0.01488  -3.00413
   D69       -3.05253  -0.00021   0.00542  -0.01732  -0.01190  -3.06442
   D70        0.11213  -0.00029   0.00272  -0.01066  -0.00794   0.10419
   D71       -2.39024   0.00030  -0.01619   0.04119   0.02499  -2.36525
   D72        0.70998   0.00078  -0.01451   0.04185   0.02732   0.73730
   D73        0.79273  -0.00036  -0.01559   0.03302   0.01745   0.81018
   D74       -2.39023   0.00012  -0.01392   0.03369   0.01978  -2.37046
   D75       -0.01592   0.00002   0.00315  -0.00786  -0.00478  -0.02070
   D76       -3.11028  -0.00005   0.01379  -0.03685  -0.02306  -3.13334
   D77        3.10252   0.00008   0.00588  -0.01465  -0.00882   3.09370
   D78        0.00816   0.00002   0.01652  -0.04364  -0.02711  -0.01895
   D79        0.10013  -0.00234   0.00889  -0.04445  -0.03541   0.06472
   D80       -2.99458  -0.00027   0.02178  -0.05972  -0.03788  -3.03246
   D81       -2.63956  -0.00745  -0.02484  -0.00441  -0.02921  -2.66877
   D82        0.54892  -0.00538  -0.01194  -0.01968  -0.03169   0.51723
   D83       -0.18123   0.00580  -0.03372   0.05949   0.02592  -0.15531
   D84       -2.40093  -0.00856  -0.03938   0.03627  -0.00317  -2.40410
   D85        1.95876  -0.00720  -0.03912   0.01830  -0.02027   1.93848
   D86        2.55805   0.01113  -0.00030   0.02608   0.02551   2.58355
   D87        0.33835  -0.00323  -0.00596   0.00286  -0.00358   0.33476
   D88       -1.58515  -0.00187  -0.00570  -0.01511  -0.02069  -1.60584
   D89        0.06187   0.00161  -0.00765   0.03573   0.02813   0.09000
   D90       -3.10509   0.00196  -0.00445   0.02933   0.02498  -3.08011
   D91       -3.12360  -0.00019  -0.01926   0.05007   0.03069  -3.09291
   D92       -0.00738   0.00016  -0.01606   0.04366   0.02754   0.02016
   D93        3.09042  -0.00120   0.01747  -0.05116  -0.03356   3.05685
   D94       -0.07697  -0.00213  -0.01229   0.00678  -0.00521  -0.08218
   D95       -0.00478   0.00078   0.03019  -0.06625  -0.03601  -0.04079
   D96        3.11101  -0.00015   0.00043  -0.00831  -0.00765   3.10336
   D97       -0.06416  -0.00005  -0.00023  -0.00268  -0.00301  -0.06717
   D98        3.10206  -0.00046  -0.00336   0.00342  -0.00014   3.10192
   D99        0.01360  -0.00098  -0.00639   0.00277  -0.00369   0.00991
   D100       3.10617   0.00041  -0.00234   0.01170   0.00927   3.11544
   D101       3.13095  -0.00057  -0.00330  -0.00318  -0.00645   3.12450
   D102      -0.05967   0.00082   0.00074   0.00575   0.00651  -0.05316
   D103       0.01132  -0.00095  -0.02249   0.04337   0.02099   0.03231
   D104       3.09877  -0.00036  -0.02948   0.06675   0.03728   3.13604
   D105      -3.10534  -0.00009   0.00588  -0.01261  -0.00641  -3.11174
   D106      -0.01789   0.00050  -0.00111   0.01077   0.00988  -0.00801
   D107      -0.00519   0.00013  -0.00087   0.00483   0.00405  -0.00113
   D108       3.11611  -0.00009   0.00536  -0.01376  -0.00846   3.10765
   D109      -3.09249  -0.00047   0.00643  -0.01912  -0.01250  -3.10498
   D110       0.02881  -0.00069   0.01266  -0.03770  -0.02501   0.00380
   D111      -0.00720   0.00084   0.01500  -0.02737  -0.01241  -0.01961
   D112      -3.09681  -0.00070   0.01068  -0.03684  -0.02620  -3.12301
   D113      -3.12817   0.00103   0.00869  -0.00845   0.00022  -3.12795
   D114       0.06541  -0.00050   0.00437  -0.01792  -0.01357   0.05184
   D115      -2.38687   0.00120  -0.03606   0.10034   0.06430  -2.32257
   D116       0.80064   0.00115  -0.03758   0.10365   0.06607   0.86671
   D117       0.73355   0.00104  -0.02957   0.08110   0.05152   0.78507
   D118      -2.36212   0.00098  -0.03109   0.08440   0.05329  -2.30883
   D119       3.11221   0.00025   0.00037   0.00217   0.00252   3.11473
   D120      -0.10142   0.00059  -0.00622   0.02065   0.01440  -0.08702
   D121       0.00415   0.00016   0.00491  -0.00993  -0.00502  -0.00087
   D122       3.07371   0.00050  -0.00167   0.00855   0.00686   3.08057
   D123      -3.11296  -0.00009   0.00104  -0.00442  -0.00341  -3.11637
   D124      -0.07192   0.00062  -0.00670   0.02260   0.01582  -0.05610
   D125      -0.00449  -0.00010  -0.00350   0.00741   0.00393  -0.00057
   D126       3.03654   0.00061  -0.01124   0.03443   0.02315   3.05969
   D127       3.12751  -0.00002  -0.00251   0.00484   0.00236   3.12987
   D128       0.07198  -0.00049   0.00111  -0.00814  -0.00696   0.06502
   D129       0.02089  -0.00048  -0.00404   0.00443   0.00042   0.02130
   D130      -3.03464  -0.00095  -0.00042  -0.00855  -0.00890  -3.04354
   D131      -3.12835   0.00020   0.00280  -0.00501  -0.00218  -3.13053
   D132       0.10647  -0.00040   0.00290  -0.01256  -0.00960   0.09687
   D133      -0.02199   0.00046   0.00408  -0.00445  -0.00037  -0.02236
   D134      -3.07036  -0.00015   0.00418  -0.01199  -0.00780  -3.07815
   D135      -3.10423  -0.00013   0.00015  -0.00136  -0.00121  -3.10544
   D136       0.14706  -0.00101   0.01345  -0.04252  -0.02901   0.11805
   D137      -0.00153  -0.00013   0.00146  -0.00432  -0.00284  -0.00436
   D138      -3.03342  -0.00101   0.01476  -0.04549  -0.03064  -3.06406
   D139       3.10224   0.00013  -0.00204   0.00594   0.00391   3.10615
   D140       0.02619  -0.00023   0.00201  -0.00714  -0.00510   0.02109
   D141      -0.00011   0.00012  -0.00333   0.00880   0.00547   0.00536
   D142      -3.07616  -0.00023   0.00072  -0.00427  -0.00354  -3.07970
   D143      -0.01179   0.00033   0.00245  -0.00270  -0.00026  -0.01205
   D144      -3.11085   0.00003   0.00184  -0.00435  -0.00253  -3.11338
   D145       3.05277   0.00049  -0.00096   0.00819   0.00729   3.06007
   D146      -0.04628   0.00019  -0.00158   0.00655   0.00502  -0.04126
   D147       3.09221   0.00027  -0.00054   0.00396   0.00340   3.09562
   D148      -0.01159  -0.00013   0.00150  -0.00454  -0.00305  -0.01464
   D149       0.04572  -0.00012   0.00353  -0.00990  -0.00641   0.03931
   D150      -3.05809  -0.00053   0.00557  -0.01840  -0.01285  -3.07094
   D151      -0.00171  -0.00005   0.00006  -0.00002   0.00004  -0.00167
   D152       3.09516   0.00021  -0.00985   0.02647   0.01660   3.11175
   D153       3.08963   0.00021   0.00079   0.00152   0.00234   3.09197
   D154      -0.09669   0.00047  -0.00911   0.02801   0.01890  -0.07779
   D155       0.00447   0.00008   0.00472  -0.00983  -0.00512  -0.00064
   D156       3.13950   0.00000   0.00777  -0.01762  -0.00985   3.12965
   D157      -3.08167  -0.00024   0.00392  -0.01174  -0.00785  -3.08952
   D158       0.05336  -0.00032   0.00696  -0.01953  -0.01259   0.04077
   D159       0.01466  -0.00028  -0.00256   0.00272   0.00015   0.01481
   D160       3.07300   0.00023  -0.00256   0.00895   0.00639   3.07939
   D161      -3.08903  -0.00054   0.00597  -0.02002  -0.01402  -3.10305
   D162      -0.03068  -0.00003   0.00597  -0.01379  -0.00778  -0.03846
   D163      -3.08587  -0.00039   0.00531  -0.01794  -0.01263  -3.09850
   D164       0.05311  -0.00033   0.01048  -0.02864  -0.01818   0.03493
   D165       0.00642  -0.00011  -0.00564   0.01135   0.00567   0.01209
   D166      -3.13778  -0.00005  -0.00047   0.00065   0.00012  -3.13766
   D167       3.07058   0.00073   0.00126   0.00658   0.00788   3.07846
   D168      -0.06758   0.00067  -0.02355   0.06325   0.03975  -0.02783
   D169       0.03174   0.00017   0.00143  -0.00134   0.00012   0.03186
   D170      -3.10642   0.00012  -0.02338   0.05532   0.03199  -3.07443
   D171      -0.00223  -0.00015  -0.00438   0.00858   0.00416   0.00193
   D172      -3.13636  -0.00047   0.00511  -0.01744  -0.01233   3.13450
   D173      -3.07917  -0.00033   0.00144  -0.00744  -0.00608  -3.08525
   D174       0.06989  -0.00064   0.01093  -0.03346  -0.02256   0.04733
   D175      -3.11920   0.00010  -0.00816   0.01972   0.01151  -3.10769
   D176      -0.01289   0.00056  -0.00777   0.02513   0.01732   0.00443
   D177      -0.05699   0.00034  -0.01540   0.03949   0.02410  -0.03289
   D178       3.04932   0.00080  -0.01502   0.04490   0.02991   3.07923
   D179      -0.00053   0.00009   0.00218  -0.00391  -0.00171  -0.00224
   D180      -3.09610  -0.00019   0.00558  -0.01630  -0.01074  -3.10684
   D181       3.13219   0.00045  -0.00898   0.02691   0.01797  -3.13303
   D182       0.03662   0.00016  -0.00558   0.01451   0.00893   0.04555
   D183      -0.03559   0.00061   0.00127   0.00473   0.00593  -0.02966
   D184      -3.13947  -0.00005   0.00019  -0.00156  -0.00141  -3.14088
   D185       3.11578   0.00021   0.01361  -0.02928  -0.01571   3.10007
   D186       0.01190  -0.00044   0.01254  -0.03556  -0.02305  -0.01115
   D187       0.00311  -0.00000   0.00080  -0.00215  -0.00136   0.00174
   D188      -3.04854  -0.00054   0.00768  -0.02582  -0.01817  -3.06671
   D189       3.10581   0.00031  -0.00214   0.00862   0.00647   3.11228
   D190       0.05416  -0.00023   0.00474  -0.01505  -0.01034   0.04382
   D191       3.08114   0.00014  -0.01399   0.03509   0.02109   3.10222
   D192      -0.05788   0.00039  -0.00378   0.01415   0.01036  -0.04751
   D193      -0.00960  -0.00021  -0.01024   0.02124   0.01097   0.00137
   D194       3.13457   0.00004  -0.00003   0.00030   0.00025   3.13482
   D195      -3.08916  -0.00012   0.01313  -0.03230  -0.01923  -3.10839
   D196       0.03225  -0.00014  -0.00104   0.00014  -0.00093   0.03133
   D197      -0.05822   0.00050   0.00452  -0.00313   0.00141  -0.05681
   D198       3.06320   0.00048  -0.00965   0.02932   0.01971   3.08291
   D199       0.00252   0.00008   0.00092  -0.00170  -0.00081   0.00171
   D200      -3.10976  -0.00012  -0.00451   0.00834   0.00377  -3.10599
   D201       3.04528   0.00073  -0.01065   0.03431   0.02363   3.06892
   D202      -0.06699   0.00053  -0.01608   0.04435   0.02821  -0.03878
   D203       3.09835  -0.00008  -0.01647   0.03585   0.01929   3.11763
   D204      -0.04640   0.00040  -0.00423   0.01500   0.01073  -0.03567
   D205       0.07820  -0.00096  -0.00195  -0.00894  -0.01101   0.06720
   D206      -3.06654  -0.00048   0.01029  -0.02979  -0.01957  -3.08611
   D207      -0.00255  -0.00001  -0.00293   0.00702   0.00411   0.00156
   D208      -3.12662  -0.00053   0.00576  -0.02056  -0.01476  -3.14138
   D209       3.10440   0.00015   0.00350  -0.00521  -0.00169   3.10271
   D210      -0.01967  -0.00037   0.01218  -0.03279  -0.02056  -0.04023
   D211       0.00408   0.00036   0.02833  -0.05919  -0.03094  -0.02686
   D212      -3.12834  -0.00021   0.00630  -0.01754  -0.01122  -3.13955
   D213      -3.09926   0.00016   0.02123  -0.04582  -0.02472  -3.12397
   D214       0.05151  -0.00042  -0.00080  -0.00417  -0.00499   0.04652
   D215       0.00165  -0.00007   0.00386  -0.00978  -0.00592  -0.00426
   D216       3.08497   0.00010   0.00041   0.00107   0.00152   3.08649
   D217       3.12847   0.00038  -0.00362   0.01360   0.00999   3.13846
   D218      -0.07140   0.00055  -0.00708   0.02445   0.01743  -0.05397
   D219      -3.12841   0.00017  -0.01049   0.02712   0.01668  -3.11173
   D220      -0.01321   0.00044  -0.02228   0.05795   0.03573   0.02251
   D221       0.03246  -0.00040  -0.00083  -0.00326  -0.00408   0.02838
   D222      -3.13553  -0.00012  -0.01262   0.02757   0.01497  -3.12056
   D223       3.13369  -0.00020   0.00342  -0.01131  -0.00789   3.12580
   D224       0.01276  -0.00028   0.00752  -0.02234  -0.01481  -0.00205
   D225       0.06440  -0.00052   0.00778  -0.02530  -0.01751   0.04689
   D226      -3.05653  -0.00060   0.01188  -0.03632  -0.02443  -3.08096
   D227       0.01577   0.00004  -0.00208   0.00581   0.00366   0.01943
   D228       3.13994   0.00025   0.00585  -0.01000  -0.00417   3.13577
   D229      -3.12320  -0.00003  -0.00728   0.01658   0.00924  -3.11396
   D230       0.00098   0.00019   0.00065   0.00077   0.00140   0.00238
   D231      -0.01447   0.00012   0.00986  -0.02141  -0.01158  -0.02605
   D232       3.12782   0.00015   0.01015  -0.02221  -0.01204   3.11578
   D233      -3.13873  -0.00008   0.00196  -0.00567  -0.00376   3.14070
   D234       0.00357  -0.00006   0.00224  -0.00646  -0.00422  -0.00065
   D235      -0.00939  -0.00022  -0.00936   0.01888   0.00955   0.00016
   D236       3.12883  -0.00017   0.01473  -0.03670  -0.02190   3.10693
   D237       3.13151  -0.00025  -0.00965   0.01966   0.01000   3.14151
   D238      -0.01345  -0.00019   0.01444  -0.03591  -0.02145  -0.03490
   D239      -0.00476  -0.00021  -0.00892   0.01716   0.00822   0.00346
   D240       3.13934  -0.00002  -0.00950   0.02219   0.01268  -3.13117
   D241       3.09976   0.00014  -0.01090   0.02533   0.01442   3.11418
   D242      -0.03932   0.00034  -0.01148   0.03037   0.01888  -0.02044
   D243      -0.03650   0.00057   0.01244  -0.02082  -0.00839  -0.04489
   D244      -3.14003  -0.00002   0.00175  -0.00384  -0.00209   3.14107
   D245       3.10258   0.00037   0.01303  -0.02585  -0.01284   3.08974
   D246      -0.00095  -0.00022   0.00233  -0.00887  -0.00654  -0.00749
   D247       0.03601  -0.00050  -0.01005   0.01669   0.00664   0.04264
   D248      -3.09899  -0.00043  -0.01311   0.02452   0.01140  -3.08758
   D249       3.13951   0.00008   0.00065  -0.00032   0.00033   3.13983
   D250       0.00451   0.00015  -0.00241   0.00751   0.00509   0.00960
   D251      -0.02871   0.00042   0.00655  -0.00931  -0.00276  -0.03147
   D252       3.13599   0.00015   0.00252  -0.00411  -0.00160   3.13439
   D253       3.11029   0.00017  -0.00369   0.01173   0.00803   3.11832
   D254      -0.00819  -0.00011  -0.00772   0.01693   0.00919   0.00100
   D255       0.02407  -0.00014   0.00285  -0.00916  -0.00633   0.01775
   D256      -3.10027  -0.00027  -0.00882   0.01627   0.00747  -3.09280
   D257      -3.14045   0.00012   0.00683  -0.01427  -0.00747   3.13527
   D258       0.01839  -0.00001  -0.00484   0.01116   0.00633   0.02472
   D259       0.01959  -0.00036  -0.00831   0.01507   0.00674   0.02633
   D260      -3.10201  -0.00033   0.00563  -0.01701  -0.01139  -3.11340
   D261      -3.13918  -0.00023   0.00327  -0.01029  -0.00701   3.13699
   D262       0.02240  -0.00020   0.01721  -0.04237  -0.02514  -0.00274
   D263       0.01165   0.00006   0.00834  -0.01813  -0.00975   0.00190
   D264       3.13942   0.00016   0.00392  -0.00666  -0.00270   3.13672
   D265      -3.09495  -0.00040   0.00789  -0.02328  -0.01540  -3.11035
   D266       0.03282  -0.00030   0.00347  -0.01181  -0.00835   0.02447
   D267       0.02146  -0.00019   0.00354  -0.01023  -0.00666   0.01480
   D268      -3.12350  -0.00022   0.00680  -0.01852  -0.01173  -3.13523
   D269      -3.10617  -0.00030   0.00799  -0.02179  -0.01377  -3.11994
   D270       0.03206  -0.00033   0.01124  -0.03008  -0.01884   0.01322
   D271      -0.00909  -0.00012  -0.00835   0.01698   0.00861  -0.00048
   D272       3.09483   0.00052  -0.00733   0.02333   0.01594   3.11077
   D273       3.13588  -0.00009  -0.01162   0.02530   0.01369  -3.13362
   D274      -0.04339   0.00055  -0.01061   0.03165   0.02102  -0.02236
   D275       0.01114   0.00001   0.00767  -0.01680  -0.00909   0.00204
   D276      -3.12798  -0.00019  -0.00488   0.00922   0.00436  -3.12362
   D277      -3.10388  -0.00028   0.01951  -0.04782  -0.02827  -3.13215
   D278       0.04019  -0.00048   0.00696  -0.02180  -0.01482   0.02537
   D279      -0.01748   0.00004  -0.00685   0.01578   0.00894  -0.00854
   D280       3.11852   0.00002  -0.01545   0.03587   0.02045   3.13897
   D281       3.12163   0.00025   0.00568  -0.01021  -0.00452   3.11712
   D282      -0.02554   0.00022  -0.00292   0.00988   0.00699  -0.01855
   D283      -0.02025   0.00021  -0.00105   0.00558   0.00452  -0.01574
   D284       3.10103   0.00027  -0.00501   0.01627   0.01125   3.11228
   D285       3.12691   0.00023   0.00748  -0.01447  -0.00696   3.11995
   D286      -0.03499   0.00029   0.00352  -0.00378  -0.00023  -0.03522
   D287      -0.02911   0.00054   0.00769  -0.01038  -0.00267  -0.03179
   D288       3.12321   0.00046  -0.00062   0.00880   0.00826   3.13146
   D289       3.11559   0.00007  -0.00429   0.01020   0.00582   3.12141
   D290      -0.01528  -0.00001  -0.01260   0.02938   0.01675   0.00147
   D291      -0.03239   0.00043   0.00465  -0.00498  -0.00026  -0.03265
   D292       3.13691  -0.00005  -0.00202   0.00461   0.00264   3.13956
   D293       3.09837   0.00052   0.01303  -0.02434  -0.01127   3.08710
   D294      -0.01551   0.00004   0.00636  -0.01474  -0.00837  -0.02388
   D295       0.04456  -0.00090  -0.02270   0.03994   0.01728   0.06184
   D296      -3.10628  -0.00031  -0.00057  -0.00201  -0.00258  -3.10886
   D297      -3.12481  -0.00042  -0.01601   0.03031   0.01435  -3.11046
   D298       0.00754   0.00017   0.00611  -0.01163  -0.00551   0.00203
   D299       2.08404   0.04325   0.04311   0.04669   0.08972   2.17376
   D300      -0.03779   0.01148   0.02907   0.02368   0.05263   0.01484
   D301      -2.28387   0.02486   0.03899   0.04508   0.08429  -2.19958
   D302       1.27946   0.01059   0.00090   0.03038   0.03097   1.31043
   D303      -2.88463   0.00331   0.00559  -0.01193  -0.00611  -2.89074
   D304      -0.57540  -0.01369  -0.00134  -0.02639  -0.02766  -0.60306
   D305      -2.76452   0.00101  -0.00348   0.04930   0.04596  -2.71857
   D306      -0.70165   0.00442   0.00191   0.07768   0.07950  -0.62215
   D307       1.38986   0.00293  -0.00075   0.05594   0.05515   1.44501
   D308       3.05812  -0.00102   0.01498  -0.06558  -0.05060   3.00752
   D309      -1.10368  -0.00326   0.01021  -0.07115  -0.06095  -1.16463
   D310       0.95220  -0.00067   0.01526  -0.06644  -0.05117   0.90103
   D311      -2.95764   0.01673   0.01512  -0.01883  -0.00365  -2.96130
   D312      -0.88065   0.01686   0.01879  -0.02473  -0.00589  -0.88654
   D313       1.26133   0.01613   0.00920  -0.00960  -0.00032   1.26101
   D314       1.30908  -0.01616  -0.00255  -0.03233  -0.03495   1.27413
   D315      -2.89711  -0.01603   0.00112  -0.03823  -0.03719  -2.93430
   D316      -0.75512  -0.01676  -0.00847  -0.02310  -0.03162  -0.78675
   D317      -0.89297  -0.00145   0.01145  -0.04028  -0.02883  -0.92180
   D318       1.18402  -0.00131   0.01512  -0.04619  -0.03107   1.15295
   D319      -2.95718  -0.00205   0.00553  -0.03105  -0.02550  -2.98268
   D320      -0.93427  -0.02285  -0.02458  -0.07539  -0.10005  -1.03432
   D321       1.08828  -0.01270  -0.01391  -0.06223  -0.07590   1.01238
   D322      -2.97777  -0.01784  -0.02473  -0.04726  -0.07216  -3.04993
   D323      -2.78593  -0.00091   0.01546  -0.06460  -0.04915  -2.83508
   D324      -0.70920  -0.00073   0.01540  -0.06357  -0.04816  -0.75736
   D325       1.40509  -0.00120   0.00890  -0.05402  -0.04513   1.35996
   D326       1.40999  -0.00075   0.01703  -0.06212  -0.04508   1.36491
   D327      -2.79647  -0.00058   0.01697  -0.06108  -0.04410  -2.84056
   D328      -0.68218  -0.00104   0.01047  -0.05154  -0.04107  -0.72325
   D329      -0.71363  -0.00049   0.01484  -0.05788  -0.04304  -0.75667
   D330       1.36310  -0.00032   0.01479  -0.05684  -0.04205   1.32105
   D331      -2.80580  -0.00078   0.00829  -0.04730  -0.03903  -2.84482
         Item               Value     Threshold  Converged?
 Maximum Force            0.050912     0.000450     NO 
 RMS     Force            0.004665     0.000300     NO 
 Maximum Displacement     1.255861     0.001800     NO 
 RMS     Displacement     0.142009     0.001200     NO 
 Predicted change in Energy=-1.494975D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.499217    3.294492   -0.014876
      2          6           0       -2.714660    1.918547   -0.020307
      3          6           0       -1.639634    1.014454   -0.102738
      4          6           0       -0.326254    1.525895   -0.147951
      5          6           0       -0.117785    2.918068   -0.131892
      6          6           0       -1.183536    3.793814   -0.073468
      7          6           0       -1.837133   -0.438107   -0.215910
      8          6           0       -0.709863   -1.312229   -0.304807
      9          6           0        0.611266   -0.795689   -0.081766
     10          6           0        0.824427    0.622229   -0.199882
     11          6           0       -3.119887   -1.003890   -0.268087
     12          6           0       -3.317420   -2.365128   -0.509384
     13          6           0       -2.198724   -3.186572   -0.771777
     14          6           0       -0.932918   -2.666510   -0.657356
     15          7           0        1.692335   -1.620243    0.162781
     16          6           0        2.981536   -1.071721    0.004848
     17          6           0        3.095485    0.314435   -0.317065
     18          7           0        2.022750    1.135269   -0.374378
     19          6           0        4.175218   -1.814764    0.093519
     20          6           0        5.397564   -1.231052   -0.170103
     21          6           0        5.514596    0.139794   -0.501639
     22          6           0        4.360251    0.897572   -0.559021
     23          7           0       -3.600590    4.180452    0.038691
     24          7           0       -4.610218   -2.910156   -0.532819
     25          7           0        6.781021    0.709726   -0.724106
     26          6           0       -5.003222   -4.117858    0.087905
     27          6           0       -6.383828   -4.322228   -0.145856
     28          6           0       -6.857795   -3.194782   -0.922219
     29          6           0       -5.750456   -2.337509   -1.135058
     30          6           0       -3.743758    5.276846    0.907841
     31          6           0       -4.968091    5.930436    0.622826
     32          6           0       -5.596124    5.204132   -0.458643
     33          6           0       -4.730768    4.134216   -0.797395
     34          6           0        7.240674    1.928093   -0.180452
     35          6           0        8.542140    2.184280   -0.673488
     36          6           0        8.888798    1.085205   -1.550732
     37          6           0        7.786408    0.196959   -1.564763
     38          6           0       -8.103642   -2.868275   -1.466282
     39          6           0       -8.229401   -1.705725   -2.224454
     40          6           0       -7.116318   -0.884845   -2.459434
     41          6           0       -5.865896   -1.186564   -1.920926
     42          6           0       -4.261513   -4.985127    0.896365
     43          6           0       -4.919308   -6.092201    1.429993
     44          6           0       -6.276755   -6.336715    1.166221
     45          6           0       -7.020193   -5.442543    0.400827
     46          6           0       -6.782509    5.393662   -1.179294
     47          6           0       -7.091393    4.521952   -2.218872
     48          6           0       -6.206052    3.487910   -2.566108
     49          6           0       -5.010997    3.288587   -1.875415
     50          6           0       -2.918666    5.694816    1.957420
     51          6           0       -3.320257    6.807194    2.695734
     52          6           0       -4.512070    7.487668    2.402448
     53          6           0       -5.339132    7.055203    1.369453
     54          6           0       10.025260    0.789476   -2.312902
     55          6           0       10.036142   -0.360070   -3.099864
     56          6           0        8.922099   -1.210741   -3.131442
     57          6           0        7.780691   -0.943025   -2.375888
     58          6           0        6.637064    2.760432    0.767428
     59          6           0        7.332372    3.904847    1.152928
     60          6           0        8.608660    4.195431    0.640964
     61          6           0        9.233900    3.321684   -0.242605
     62          8           0        0.033900   -3.010544    1.833283
     63         15           0        1.372316   -3.087107    1.239238
     64          8           0        2.623075   -3.147334    2.191682
     65          8           0        1.505336   -4.330909    0.243570
     66          6           0        2.463218   -3.146542    3.669804
     67          6           0        3.747800   -2.614039    4.258696
     68          6           0        2.673659   -4.953163   -0.337646
     69          6           0        2.219561   -6.215163   -1.055943
     70          1           0       -3.737242    1.566898    0.048752
     71          1           0        0.903012    3.281047   -0.160383
     72          1           0       -1.019898    4.867281   -0.077405
     73          1           0       -3.989532   -0.388362   -0.089396
     74          1           0       -2.345526   -4.214345   -1.086004
     75          1           0       -0.078623   -3.298966   -0.867307
     76          1           0        4.167089   -2.855701    0.366193
     77          1           0        6.297938   -1.828700   -0.087970
     78          1           0        4.367865    1.947395   -0.821969
     79          1           0       -8.958039   -3.519463   -1.303852
     80          1           0       -9.190169   -1.442541   -2.657745
     81          1           0       -7.222547    0.006695   -3.072664
     82          1           0       -5.009793   -0.558374   -2.139342
     83          1           0       -3.219275   -4.798658    1.131600
     84          1           0       -4.371114   -6.778185    2.069778
     85          1           0       -6.759573   -7.208653    1.596996
     86          1           0       -8.082127   -5.602169    0.236203
     87          1           0       -7.453491    6.208655   -0.920243
     88          1           0       -8.010265    4.649489   -2.784306
     89          1           0       -6.441543    2.844206   -3.410402
     90          1           0       -4.323765    2.501870   -2.170973
     91          1           0       -2.009578    5.156689    2.209245
     92          1           0       -2.693165    7.142025    3.517117
     93          1           0       -4.793479    8.354097    2.992699
     94          1           0       -6.274905    7.567804    1.164363
     95          1           0       10.883162    1.456711   -2.291839
     96          1           0       10.920014   -0.606538   -3.681688
     97          1           0        8.948193   -2.101859   -3.753393
     98          1           0        6.916215   -1.597380   -2.432454
     99          1           0        5.660842    2.537144    1.183285
    100          1           0        6.880012    4.572011    1.880645
    101          1           0        9.121048    5.096546    0.961421
    102          1           0       10.233402    3.527997   -0.617157
    103          1           0        1.616719   -2.503318    3.904360
    104          1           0        2.252794   -4.181698    3.954464
    105          1           0        3.727204   -2.775755    5.341891
    106          1           0        4.622464   -3.135804    3.854871
    107          1           0        3.810285   -1.539101    4.069221
    108          1           0        3.142546   -4.248072   -1.028673
    109          1           0        3.383369   -5.186230    0.464391
    110          1           0        3.084018   -6.863684   -1.232567
    111          1           0        1.500655   -6.756788   -0.438600
    112          1           0        1.761176   -5.991644   -2.024038
    113         17           0        1.584801    0.160923    3.175635
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0363950           0.0181206           0.0136552
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10633.0580184252 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.84D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999975   -0.005572    0.002803    0.003270 Ang=  -0.81 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.45943251     A.U. after   25 cycles
            NFock= 25  Conv=0.42D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000522426   -0.000355594    0.000621637
      2        6           0.000151940   -0.000883476    0.000286120
      3        6          -0.000951065   -0.002333296    0.000607545
      4        6           0.001566406    0.001671153   -0.001276823
      5        6           0.001984032   -0.002341075    0.000374131
      6        6          -0.001807094    0.002236611    0.000437613
      7        6          -0.000159887   -0.000508538    0.000958905
      8        6          -0.003464294    0.000982203   -0.001324940
      9        6          -0.000825667   -0.005490105    0.004654608
     10        6           0.001244990    0.002090720    0.001423145
     11        6           0.000559814    0.000425925   -0.000130574
     12        6           0.002054154    0.000638504   -0.000585796
     13        6          -0.001743051   -0.001051192   -0.001416917
     14        6           0.000541956    0.002372563   -0.001191401
     15        7           0.003219835    0.005508807   -0.002623254
     16        6          -0.001613960   -0.001674439    0.004631292
     17        6          -0.000492876    0.000329745    0.000822152
     18        7          -0.001832686    0.001820239    0.000213754
     19        6          -0.002131303   -0.001682442   -0.002122960
     20        6           0.002186380    0.000224031    0.001767881
     21        6          -0.002904041   -0.000632389    0.001334718
     22        6          -0.000796050   -0.002109871   -0.003395480
     23        7          -0.002397913    0.000850711   -0.000750999
     24        7          -0.003079478   -0.000736751    0.001189570
     25        7           0.003487594    0.003445303   -0.001435021
     26        6           0.001279963    0.001633151   -0.000447380
     27        6           0.000004989    0.000081059    0.002143824
     28        6           0.000183124    0.000247614   -0.000343052
     29        6           0.001209699   -0.001039703   -0.002038169
     30        6           0.000550512   -0.001490145    0.001026878
     31        6           0.000745477    0.001637105    0.001019969
     32        6          -0.001072791    0.000540986   -0.001811277
     33        6           0.002209605    0.001783071   -0.001476059
     34        6          -0.000105421   -0.003447094    0.001718965
     35        6           0.000898729   -0.001287144    0.001524964
     36        6           0.002329255   -0.000323619   -0.000007526
     37        6          -0.003137876   -0.000047661   -0.000942011
     38        6          -0.000478607    0.001074937   -0.000257806
     39        6          -0.000602850   -0.001421328   -0.000587074
     40        6           0.000581269    0.000830894    0.000720772
     41        6           0.000838278   -0.000725488   -0.000947816
     42        6           0.000278644    0.000512612    0.000151410
     43        6          -0.000082580   -0.001341480   -0.001143998
     44        6          -0.001281002    0.001507632    0.001738735
     45        6           0.000434937   -0.000071860   -0.001405999
     46        6          -0.000041929   -0.001000872    0.002047732
     47        6           0.000367197    0.000136501   -0.001020172
     48        6           0.001221531    0.000477995   -0.001076079
     49        6          -0.000621244   -0.001839719    0.000974926
     50        6           0.000327672   -0.001521211   -0.000372579
     51        6           0.002010229   -0.001412662   -0.000713532
     52        6          -0.000777180    0.000667726   -0.000782861
     53        6          -0.000695582   -0.001047104    0.001693472
     54        6          -0.000939775    0.000566281   -0.000390838
     55        6           0.002444940    0.001331750    0.001824232
     56        6          -0.001025577   -0.001477113    0.000044348
     57        6          -0.000524824   -0.000112646    0.000502621
     58        6          -0.000806999    0.000871876   -0.002840601
     59        6           0.000427391   -0.000677794    0.000457292
     60        6           0.000980597   -0.000730567    0.002048036
     61        6          -0.001684858    0.001690101   -0.003346121
     62        8          -0.000729197   -0.002326582    0.002611893
     63       15          -0.000429705    0.003972794    0.008324544
     64        8           0.005555078   -0.001528400   -0.006286078
     65        8           0.000834549   -0.001674544   -0.005589632
     66        6          -0.000749778    0.001925992    0.000869992
     67        6          -0.000863582    0.000168197    0.001215108
     68        6           0.001984882   -0.000946302    0.002143038
     69        6           0.002353789    0.001148667   -0.000921203
     70        1           0.001193859    0.000139583    0.000065809
     71        1          -0.000792783    0.000177693   -0.000348304
     72        1           0.000322043   -0.001192906   -0.000202723
     73        1          -0.000296071    0.000369276   -0.000330653
     74        1          -0.000074428    0.000581453    0.001184998
     75        1          -0.003894330   -0.000152908   -0.002093352
     76        1          -0.001012141   -0.002083128    0.001933275
     77        1           0.000113842   -0.000250943    0.000297620
     78        1           0.000940514    0.000543603    0.000470744
     79        1           0.000034266    0.000388194   -0.000314928
     80        1           0.000384835   -0.000088515    0.000620954
     81        1          -0.000088503   -0.000858046    0.000897318
     82        1          -0.000359238   -0.000092521    0.000643518
     83        1          -0.000408459    0.000390178   -0.000383053
     84        1           0.000298237    0.000511019   -0.000751035
     85        1           0.000231357    0.000089211   -0.000149480
     86        1           0.000408564   -0.000403939   -0.000156485
     87        1           0.000360188   -0.000279356   -0.000586944
     88        1           0.000324782    0.000338996    0.000693695
     89        1           0.000002668    0.000149480    0.001001925
     90        1          -0.000668505    0.000685221    0.000357717
     91        1          -0.000853431    0.001037846   -0.000346474
     92        1          -0.000646875    0.000307187   -0.000177361
     93        1          -0.000105697    0.000025232   -0.000008590
     94        1           0.000311627    0.000032137   -0.000425570
     95        1          -0.000324718   -0.000602137   -0.000553365
     96        1          -0.000975307    0.000214062   -0.000235584
     97        1          -0.000603769    0.000755314    0.000047044
     98        1           0.000813135    0.000589686    0.000537771
     99        1           0.000389890    0.000070931    0.000150788
    100        1           0.000027762    0.000384987   -0.000605029
    101        1           0.000278745    0.000182010    0.000424423
    102        1          -0.000536089    0.000090948    0.000730610
    103        1          -0.000290477    0.002158108    0.000761091
    104        1           0.000949616   -0.000211728   -0.001087951
    105        1          -0.000090614    0.000477148    0.000130397
    106        1          -0.000584908    0.000564904    0.000202296
    107        1           0.001018091   -0.000741523   -0.000997553
    108        1           0.001006958    0.000043160   -0.000919832
    109        1          -0.001209582    0.000280546    0.000101807
    110        1          -0.000560866    0.000184951   -0.000589323
    111        1           0.000257948   -0.001017412    0.000497746
    112        1          -0.001225922    0.000223626    0.001647015
    113       17          -0.000787353   -0.002124874   -0.005258764
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008324544 RMS     0.001547828

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.025390686 RMS     0.002621180
 Search for a local minimum.
 Step number   9 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    8    9
 DE= -4.73D-03 DEPred=-1.49D-02 R= 3.16D-01
 Trust test= 3.16D-01 RLast= 4.95D-01 DXMaxT set to 2.40D+00
 ITU=  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00329   0.00627   0.00971   0.01142   0.01225
     Eigenvalues ---    0.01339   0.01630   0.01695   0.02115   0.02453
     Eigenvalues ---    0.02485   0.02496   0.02536   0.02551   0.02588
     Eigenvalues ---    0.02604   0.02634   0.02672   0.02680   0.02697
     Eigenvalues ---    0.02697   0.02703   0.02706   0.02711   0.02718
     Eigenvalues ---    0.02729   0.02739   0.02752   0.02763   0.02787
     Eigenvalues ---    0.02798   0.02801   0.02806   0.02812   0.02817
     Eigenvalues ---    0.02819   0.02825   0.02830   0.02849   0.02859
     Eigenvalues ---    0.02866   0.02876   0.02877   0.02881   0.02890
     Eigenvalues ---    0.02898   0.02900   0.02902   0.02906   0.02909
     Eigenvalues ---    0.02912   0.02918   0.02918   0.02920   0.02926
     Eigenvalues ---    0.02936   0.02940   0.02944   0.02948   0.02950
     Eigenvalues ---    0.02952   0.02953   0.02956   0.02961   0.02965
     Eigenvalues ---    0.02965   0.02967   0.02971   0.02980   0.02987
     Eigenvalues ---    0.02990   0.02992   0.02995   0.03000   0.03001
     Eigenvalues ---    0.03018   0.03023   0.03033   0.03055   0.03061
     Eigenvalues ---    0.03063   0.03072   0.03078   0.03085   0.03101
     Eigenvalues ---    0.03111   0.03119   0.03131   0.03145   0.03154
     Eigenvalues ---    0.03171   0.03179   0.03186   0.03203   0.03228
     Eigenvalues ---    0.03246   0.03258   0.03280   0.03354   0.03574
     Eigenvalues ---    0.03601   0.05252   0.05517   0.05668   0.05831
     Eigenvalues ---    0.05945   0.05948   0.06342   0.07522   0.09346
     Eigenvalues ---    0.11142   0.11316   0.11753   0.12574   0.13579
     Eigenvalues ---    0.14669   0.15963   0.15985   0.15987   0.15990
     Eigenvalues ---    0.15991   0.15992   0.15992   0.15993   0.15993
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16007   0.16016   0.16068   0.16327
     Eigenvalues ---    0.18310   0.19867   0.21337   0.21956   0.21990
     Eigenvalues ---    0.21993   0.21996   0.21998   0.22004   0.22237
     Eigenvalues ---    0.22304   0.22364   0.22429   0.22482   0.22584
     Eigenvalues ---    0.22592   0.22594   0.22612   0.22659   0.23214
     Eigenvalues ---    0.23424   0.23528   0.23613   0.23813   0.24004
     Eigenvalues ---    0.24273   0.24391   0.24423   0.24432   0.24456
     Eigenvalues ---    0.24464   0.24492   0.24552   0.24584   0.24615
     Eigenvalues ---    0.24720   0.24875   0.24904   0.24905   0.24923
     Eigenvalues ---    0.24934   0.24937   0.24966   0.24968   0.24972
     Eigenvalues ---    0.24975   0.24983   0.24987   0.24998   0.25281
     Eigenvalues ---    0.25690   0.26471   0.27098   0.27655   0.27999
     Eigenvalues ---    0.28370   0.28720   0.28840   0.29160   0.29234
     Eigenvalues ---    0.29347   0.29655   0.30093   0.30456   0.30657
     Eigenvalues ---    0.30686   0.30808   0.30924   0.31084   0.31176
     Eigenvalues ---    0.31270   0.31360   0.31387   0.31490   0.31753
     Eigenvalues ---    0.32062   0.32153   0.32234   0.32838   0.33190
     Eigenvalues ---    0.33551   0.33871   0.33961   0.34071   0.34247
     Eigenvalues ---    0.34503   0.34673   0.34935   0.34982   0.35160
     Eigenvalues ---    0.35511   0.35581   0.36384   0.36770   0.37044
     Eigenvalues ---    0.37138   0.37310   0.38943   0.41383   0.41540
     Eigenvalues ---    0.42044   0.42364   0.42645   0.43384   0.43719
     Eigenvalues ---    0.45230   0.45392   0.46429   0.47092   0.47099
     Eigenvalues ---    0.47174   0.47674   0.47986   0.48622   0.49744
     Eigenvalues ---    0.50274   0.50464   0.50575   0.50912   0.51654
     Eigenvalues ---    0.51867   0.52090   0.52241   0.52589   0.53091
     Eigenvalues ---    0.53115   0.53367   0.53773   0.54283   0.54318
     Eigenvalues ---    0.54895   0.55013   0.55387   0.55639   0.55764
     Eigenvalues ---    0.56001   0.56108   0.56216   0.56303   0.56510
     Eigenvalues ---    0.56686   0.56934   0.57194   0.57276   0.57536
     Eigenvalues ---    0.57991   0.58223   0.58283   0.58343   0.58468
     Eigenvalues ---    0.58541   0.58728   0.58935   0.59041   0.59463
     Eigenvalues ---    0.59772   0.59799   0.59916   0.60379   0.60835
     Eigenvalues ---    0.61225   0.61835   0.62773   0.63269   0.63691
     Eigenvalues ---    0.64543   0.65286   0.66057   0.66828   0.67821
     Eigenvalues ---    0.68877   0.72152   0.73328   0.74596   0.80265
     Eigenvalues ---    0.82310   0.86587   1.00012
 RFO step:  Lambda=-1.00043640D-02 EMin= 3.29142677D-03
 Quartic linear search produced a step of -0.41320.
 Iteration  1 RMS(Cart)=  0.11623247 RMS(Int)=  0.00740555
 Iteration  2 RMS(Cart)=  0.03382498 RMS(Int)=  0.00089316
 Iteration  3 RMS(Cart)=  0.00107030 RMS(Int)=  0.00009481
 Iteration  4 RMS(Cart)=  0.00000267 RMS(Int)=  0.00009480
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00009480
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63186   0.00020   0.00055   0.00211   0.00268   2.63454
    R2        2.66161  -0.00096  -0.00084  -0.00241  -0.00324   2.65837
    R3        2.67302  -0.00048  -0.00118  -0.00464  -0.00582   2.66720
    R4        2.65899  -0.00117  -0.00009  -0.00516  -0.00524   2.65375
    R5        2.04763  -0.00112   0.00174  -0.00837  -0.00663   2.04100
    R6        2.66484  -0.00126  -0.00037  -0.00282  -0.00322   2.66161
    R7        2.77844  -0.00317  -0.00127  -0.00668  -0.00792   2.77052
    R8        2.66033  -0.00157  -0.00012  -0.00670  -0.00684   2.65349
    R9        2.76661  -0.00332  -0.00013  -0.01240  -0.01258   2.75403
   R10        2.60903   0.00043   0.00025   0.00038   0.00062   2.60965
   R11        2.04806  -0.00060   0.00127  -0.00432  -0.00305   2.04501
   R12        2.05201  -0.00119   0.00322  -0.01000  -0.00678   2.04523
   R13        2.70087   0.00099   0.00055   0.00092   0.00156   2.70244
   R14        2.65121  -0.00129   0.00016  -0.00401  -0.00386   2.64735
   R15        2.71354   0.00739   0.00033   0.00930   0.00962   2.72317
   R16        2.67790   0.00035  -0.00045  -0.00085  -0.00125   2.67664
   R17        2.71876   0.00623   0.00370   0.00688   0.01056   2.72933
   R18        2.61056   0.00613   0.00168   0.00513   0.00679   2.61735
   R19        2.48529   0.00019  -0.00004  -0.00262  -0.00263   2.48266
   R20        2.63900  -0.00189   0.00022  -0.00337  -0.00319   2.63581
   R21        2.04150   0.00036  -0.00159   0.00064  -0.00095   2.04056
   R22        2.66920  -0.00256  -0.00103  -0.00572  -0.00680   2.66240
   R23        2.65164  -0.00007  -0.00082  -0.00344  -0.00426   2.64737
   R24        2.59507   0.00030   0.00082  -0.00045   0.00037   2.59545
   R25        2.04981  -0.00090   0.00276  -0.00728  -0.00452   2.04529
   R26        2.04745  -0.00277  -0.00038  -0.00652  -0.00690   2.04055
   R27        2.66435  -0.00821  -0.00233  -0.00201  -0.00437   2.65998
   R28        3.49107  -0.00261  -0.00882  -0.00159  -0.01041   3.48066
   R29        2.69777  -0.00352  -0.00326  -0.00236  -0.00564   2.69214
   R30        2.66234  -0.00127  -0.00181  -0.00088  -0.00267   2.65967
   R31        2.55485  -0.00154  -0.00049  -0.00486  -0.00533   2.54952
   R32        2.67129  -0.00010  -0.00020  -0.00612  -0.00634   2.66495
   R33        2.60778   0.00045   0.00100   0.00229   0.00332   2.61110
   R34        2.03351   0.00235   0.00456  -0.00584  -0.00129   2.03223
   R35        2.67437   0.00109  -0.00052  -0.00156  -0.00208   2.67229
   R36        2.04807   0.00023  -0.00164   0.00066  -0.00099   2.04708
   R37        2.61168   0.00040   0.00283  -0.00241   0.00039   2.61207
   R38        2.65783   0.00201  -0.00034   0.00159   0.00125   2.65908
   R39        2.04521   0.00029  -0.00150   0.00108  -0.00042   2.04480
   R40        2.65774  -0.00182   0.00040  -0.00385  -0.00345   2.65428
   R41        2.65806  -0.00211   0.00033  -0.00293  -0.00261   2.65545
   R42        2.67134  -0.00316   0.00156  -0.00956  -0.00801   2.66332
   R43        2.66630  -0.00149  -0.00097  -0.00242  -0.00339   2.66290
   R44        2.66663  -0.00229  -0.00004  -0.00423  -0.00427   2.66236
   R45        2.65937  -0.00239   0.00031  -0.00405  -0.00372   2.65565
   R46        2.67413  -0.00052   0.00048  -0.00411  -0.00364   2.67050
   R47        2.64285  -0.00144   0.00036  -0.00536  -0.00500   2.63785
   R48        2.73751   0.00024  -0.00199   0.00059  -0.00139   2.73612
   R49        2.64489  -0.00066  -0.00103  -0.00367  -0.00468   2.64021
   R50        2.67676  -0.00010  -0.00100  -0.00049  -0.00146   2.67530
   R51        2.64207   0.00013  -0.00028  -0.00108  -0.00139   2.64068
   R52        2.64264  -0.00121   0.00076  -0.00396  -0.00316   2.63947
   R53        2.67742  -0.00020  -0.00159  -0.00254  -0.00413   2.67329
   R54        2.64365  -0.00140   0.00068  -0.00477  -0.00410   2.63956
   R55        2.73294   0.00104  -0.00201   0.00286   0.00086   2.73380
   R56        2.64577  -0.00056  -0.00007  -0.00274  -0.00280   2.64296
   R57        2.67802   0.00014  -0.00028  -0.00073  -0.00102   2.67700
   R58        2.64748  -0.00134  -0.00017  -0.00516  -0.00534   2.64214
   R59        2.64274  -0.00067   0.00009  -0.00224  -0.00214   2.64060
   R60        2.67417   0.00030  -0.00083  -0.00090  -0.00177   2.67239
   R61        2.64265  -0.00089   0.00085  -0.00338  -0.00249   2.64016
   R62        2.73697   0.00000  -0.00253  -0.00091  -0.00345   2.73352
   R63        2.64418   0.00047  -0.00053  -0.00011  -0.00070   2.64348
   R64        2.67544   0.00073  -0.00066   0.00126   0.00059   2.67604
   R65        2.64555  -0.00092  -0.00012  -0.00406  -0.00419   2.64137
   R66        2.64394  -0.00159   0.00197  -0.00616  -0.00420   2.63974
   R67        2.63355  -0.00160  -0.00093  -0.00513  -0.00610   2.62745
   R68        2.05314  -0.00035   0.00041  -0.00170  -0.00129   2.05185
   R69        2.65102   0.00026  -0.00040  -0.00093  -0.00134   2.64968
   R70        2.05284  -0.00059   0.00199  -0.00494  -0.00296   2.04988
   R71        2.63519  -0.00036  -0.00029  -0.00196  -0.00222   2.63297
   R72        2.05466  -0.00117   0.00389  -0.00891  -0.00502   2.04965
   R73        2.04862  -0.00046  -0.00004  -0.00403  -0.00407   2.04456
   R74        2.63416  -0.00033   0.00010  -0.00134  -0.00125   2.63291
   R75        2.04961  -0.00034   0.00637  -0.00837  -0.00200   2.04760
   R76        2.65372   0.00006  -0.00107  -0.00086  -0.00193   2.65179
   R77        2.05313  -0.00053   0.00104  -0.00318  -0.00214   2.05099
   R78        2.63078  -0.00041  -0.00054  -0.00159  -0.00213   2.62865
   R79        2.05186  -0.00021   0.00054  -0.00150  -0.00096   2.05090
   R80        2.05302  -0.00026   0.00040  -0.00149  -0.00108   2.05193
   R81        2.62938  -0.00014   0.00029  -0.00132  -0.00103   2.62835
   R82        2.05410  -0.00059   0.00471  -0.00736  -0.00265   2.05146
   R83        2.65481  -0.00007  -0.00096  -0.00127  -0.00222   2.65259
   R84        2.05304  -0.00062   0.00142  -0.00394  -0.00252   2.05052
   R85        2.63543  -0.00114   0.00003  -0.00297  -0.00292   2.63251
   R86        2.05507  -0.00086   0.00238  -0.00630  -0.00392   2.05115
   R87        2.05152  -0.00102   0.00157  -0.00713  -0.00556   2.04596
   R88        2.63464  -0.00079  -0.00004  -0.00301  -0.00306   2.63157
   R89        2.05228  -0.00124   0.00290  -0.00954  -0.00664   2.04564
   R90        2.65201   0.00111  -0.00115   0.00210   0.00095   2.65295
   R91        2.05279  -0.00038   0.00057  -0.00215  -0.00158   2.05121
   R92        2.63082  -0.00070  -0.00057  -0.00340  -0.00396   2.62686
   R93        2.05128   0.00005  -0.00028   0.00032   0.00003   2.05131
   R94        2.05320  -0.00021   0.00027  -0.00118  -0.00091   2.05228
   R95        2.63268  -0.00102  -0.00076  -0.00348  -0.00423   2.62845
   R96        2.05420  -0.00065   0.00219  -0.00528  -0.00309   2.05110
   R97        2.64948   0.00154  -0.00157   0.00282   0.00127   2.65075
   R98        2.05320  -0.00069   0.00149  -0.00441  -0.00293   2.05027
   R99        2.63571  -0.00074   0.00020  -0.00264  -0.00244   2.63327
   R100       2.05415  -0.00071   0.00179  -0.00480  -0.00301   2.05115
   R101       2.05164  -0.00101   0.00112  -0.00714  -0.00602   2.04562
   R102       2.63327   0.00003   0.00043  -0.00148  -0.00098   2.63229
   R103       2.04911  -0.00029  -0.00061  -0.00127  -0.00188   2.04723
   R104       2.65603  -0.00057  -0.00094  -0.00260  -0.00352   2.65250
   R105       2.05217  -0.00022   0.00017  -0.00088  -0.00071   2.05146
   R106       2.62873  -0.00005  -0.00054  -0.00074  -0.00132   2.62740
   R107       2.05037   0.00038  -0.00054   0.00160   0.00106   2.05142
   R108       2.05438  -0.00072   0.00165  -0.00436  -0.00272   2.05167
   R109       2.77095   0.00195   0.00051   0.00249   0.00300   2.77396
   R110       2.97305  -0.00260   0.00541   0.00481   0.01022   2.98327
   R111       3.02125   0.00417   0.00089   0.02319   0.02408   3.04534
   R112       2.80953  -0.00408  -0.00262   0.00474   0.00212   2.81165
   R113       2.73194   0.00138  -0.00077   0.01153   0.01075   2.74269
   R114       2.85374  -0.00001  -0.00029   0.00514   0.00485   2.85858
   R115       2.05738  -0.00018   0.00522   0.00156   0.00678   2.06416
   R116       2.06738  -0.00014   0.00228  -0.00403  -0.00175   2.06563
   R117       2.06999   0.00005  -0.00054  -0.00014  -0.00068   2.06931
   R118       2.07039  -0.00078   0.00505  -0.00870  -0.00366   2.06674
   R119       2.06603  -0.00064   0.00161  -0.00430  -0.00269   2.06334
   R120       2.87512  -0.00093   0.00109  -0.00371  -0.00263   2.87249
   R121       2.06536   0.00094   0.00126  -0.00166  -0.00040   2.06496
   R122       2.07119  -0.00080   0.00089  -0.00481  -0.00393   2.06726
   R123       2.06928  -0.00046   0.00124  -0.00391  -0.00268   2.06661
   R124       2.06257   0.00073  -0.00050   0.00388   0.00338   2.06595
   R125       2.06775  -0.00082   0.00251  -0.00640  -0.00389   2.06386
   R126       5.21997  -0.00055   0.08196   0.09320   0.17516   5.39513
    A1        2.08815   0.00016  -0.00414   0.00074  -0.00340   2.08475
    A2        2.09266   0.00121   0.00112   0.00547   0.00659   2.09925
    A3        2.10234  -0.00137   0.00300  -0.00623  -0.00323   2.09911
    A4        2.11395   0.00006   0.00367   0.00057   0.00400   2.11795
    A5        2.05597   0.00038  -0.00269   0.00306   0.00016   2.05613
    A6        2.11324  -0.00044  -0.00132  -0.00384  -0.00537   2.10787
    A7        2.07193  -0.00031   0.00004  -0.00221  -0.00234   2.06959
    A8        2.13728  -0.00042   0.00084   0.00186   0.00258   2.13986
    A9        2.07253   0.00069  -0.00111  -0.00081  -0.00194   2.07059
   A10        2.09002   0.00071  -0.00332   0.00398   0.00051   2.09054
   A11        2.10516   0.00091   0.00128   0.00134   0.00253   2.10770
   A12        2.08796  -0.00163   0.00192  -0.00547  -0.00359   2.08437
   A13        2.10999  -0.00000   0.00295   0.00000   0.00288   2.11287
   A14        2.06052   0.00052  -0.00041   0.00535   0.00498   2.06550
   A15        2.11266  -0.00051  -0.00253  -0.00534  -0.00784   2.10482
   A16        2.09205  -0.00061   0.00079  -0.00244  -0.00179   2.09025
   A17        2.08448   0.00068   0.00114   0.00834   0.00938   2.09386
   A18        2.10665  -0.00007  -0.00205  -0.00600  -0.00814   2.09851
   A19        2.09794   0.00124   0.00082   0.00026   0.00113   2.09907
   A20        2.12245  -0.00374  -0.00121  -0.00950  -0.01084   2.11161
   A21        2.06256   0.00248   0.00036   0.00890   0.00921   2.07177
   A22        2.08977  -0.00033   0.00284  -0.00036   0.00227   2.09203
   A23        2.06669  -0.00396  -0.00386  -0.01262  -0.01664   2.05005
   A24        2.12615   0.00424   0.00064   0.01188   0.01215   2.13830
   A25        2.06927  -0.00479  -0.00302  -0.01361  -0.01653   2.05274
   A26        2.13267   0.01545   0.00951   0.03518   0.04480   2.17747
   A27        2.07926  -0.01067  -0.00588  -0.02216  -0.02805   2.05121
   A28        2.08170   0.00165   0.00199   0.00363   0.00563   2.08733
   A29        2.07153  -0.00632  -0.00235  -0.02245  -0.02475   2.04678
   A30        2.12981   0.00469   0.00042   0.01882   0.01920   2.14901
   A31        2.12804  -0.00034   0.00290  -0.00407  -0.00120   2.12684
   A32        2.09450   0.00002  -0.00182  -0.00172  -0.00352   2.09098
   A33        2.06019   0.00035  -0.00121   0.00588   0.00469   2.06488
   A34        2.07939  -0.00014  -0.00475  -0.00047  -0.00529   2.07410
   A35        2.10810   0.00164   0.00374   0.01194   0.01572   2.12382
   A36        2.09521  -0.00151   0.00091  -0.01140  -0.01046   2.08476
   A37        2.08785   0.00039   0.00191   0.00072   0.00260   2.09045
   A38        2.09169  -0.00040   0.00004   0.00016   0.00020   2.09190
   A39        2.10332   0.00001  -0.00191  -0.00075  -0.00265   2.10067
   A40        2.12674   0.00142   0.00150   0.00397   0.00539   2.13213
   A41        2.07369   0.00184   0.00102   0.01566   0.01647   2.09016
   A42        2.08240  -0.00328  -0.00276  -0.02032  -0.02327   2.05914
   A43        2.05276   0.00438   0.00352   0.00301   0.00659   2.05935
   A44        2.02809   0.01930   0.01446   0.04141   0.05592   2.08401
   A45        2.13244  -0.02539  -0.01832  -0.04604  -0.06433   2.06811
   A46        2.06689   0.00392   0.00137   0.00654   0.00784   2.07473
   A47        2.16820  -0.00723  -0.00267  -0.00544  -0.00802   2.16017
   A48        2.04729   0.00332   0.00127  -0.00139  -0.00017   2.04712
   A49        2.13618  -0.00207  -0.00275  -0.00263  -0.00539   2.13079
   A50        2.10663  -0.00150  -0.00128   0.00001  -0.00139   2.10524
   A51        2.04004   0.00356   0.00405   0.00235   0.00650   2.04654
   A52        2.07203  -0.00061   0.00329  -0.00931  -0.00606   2.06596
   A53        2.11225  -0.00096   0.00031   0.00426   0.00402   2.11627
   A54        2.11733  -0.00098  -0.00096  -0.00229  -0.00370   2.11363
   A55        2.05360   0.00194   0.00054  -0.00187  -0.00180   2.05180
   A56        2.12672  -0.00169   0.00077  -0.00609  -0.00540   2.12132
   A57        2.08075   0.00060  -0.00268  -0.00233  -0.00499   2.07576
   A58        2.07511   0.00110   0.00165   0.00823   0.00990   2.08501
   A59        2.06209   0.00107  -0.00321   0.00265  -0.00068   2.06141
   A60        2.09906  -0.00098   0.00088   0.00098   0.00191   2.10097
   A61        2.12155  -0.00009   0.00245  -0.00350  -0.00099   2.12056
   A62        2.11066  -0.00021   0.00241   0.00200   0.00421   2.11487
   A63        2.03536   0.00105  -0.00190   0.00689   0.00501   2.04037
   A64        2.13657  -0.00080  -0.00072  -0.00805  -0.00875   2.12783
   A65        2.20302  -0.00190   0.00297  -0.00925  -0.00627   2.19674
   A66        2.19263   0.00089   0.00033   0.00568   0.00601   2.19864
   A67        1.88722   0.00101  -0.00339   0.00341  -0.00001   1.88721
   A68        2.19033  -0.00290   0.00217  -0.02169  -0.01953   2.17080
   A69        2.20688   0.00207  -0.00044   0.01875   0.01831   2.22518
   A70        1.88546   0.00085  -0.00175   0.00322   0.00144   1.88690
   A71        2.19227   0.00072   0.00010   0.00147   0.00157   2.19384
   A72        2.20201  -0.00135   0.00125  -0.00168  -0.00042   2.20159
   A73        1.88812   0.00063  -0.00132   0.00036  -0.00099   1.88713
   A74        1.89873   0.00041   0.00048   0.00149   0.00196   1.90069
   A75        2.26035  -0.00096   0.00296  -0.00536  -0.00236   2.25798
   A76        2.12158   0.00056  -0.00369   0.00376   0.00005   2.12163
   A77        1.87061  -0.00052  -0.00042  -0.00140  -0.00183   1.86878
   A78        2.08825   0.00003   0.00244  -0.00017   0.00226   2.09051
   A79        2.32340   0.00051  -0.00206   0.00183  -0.00022   2.32319
   A80        1.87107  -0.00046   0.00037  -0.00012   0.00022   1.87129
   A81        2.32109   0.00038  -0.00178  -0.00171  -0.00352   2.31757
   A82        2.09070   0.00008   0.00121   0.00159   0.00278   2.09348
   A83        1.89863  -0.00027   0.00133  -0.00286  -0.00156   1.89708
   A84        2.26610   0.00013   0.00078   0.00385   0.00459   2.27069
   A85        2.11533   0.00017  -0.00233  -0.00047  -0.00274   2.11259
   A86        1.89998   0.00020   0.00234   0.00012   0.00245   1.90243
   A87        2.26078  -0.00064   0.00114  -0.00137  -0.00021   2.26057
   A88        2.12088   0.00045  -0.00375   0.00093  -0.00286   2.11801
   A89        1.86922  -0.00076  -0.00034  -0.00179  -0.00215   1.86707
   A90        2.08556   0.00036   0.00254   0.00256   0.00506   2.09061
   A91        2.32836   0.00040  -0.00220  -0.00068  -0.00288   2.32548
   A92        1.86788  -0.00027  -0.00051   0.00098   0.00048   1.86836
   A93        2.32466   0.00066  -0.00161   0.00031  -0.00126   2.32340
   A94        2.09010  -0.00038   0.00199  -0.00129   0.00066   2.09076
   A95        1.90047  -0.00018   0.00188  -0.00270  -0.00083   1.89964
   A96        2.26410  -0.00034   0.00044   0.00055   0.00102   2.26512
   A97        2.11580   0.00055  -0.00293   0.00195  -0.00099   2.11481
   A98        1.89827   0.00017   0.00083   0.00018   0.00100   1.89928
   A99        2.25807   0.00021   0.00155   0.00220   0.00384   2.26191
   A100       2.12395  -0.00035  -0.00330  -0.00288  -0.00629   2.11766
   A101       1.86897  -0.00029  -0.00025   0.00085   0.00062   1.86959
   A102       2.08811  -0.00011   0.00283   0.00004   0.00265   2.09076
   A103       2.32545   0.00041  -0.00250  -0.00049  -0.00288   2.32257
   A104       1.87102  -0.00093   0.00069  -0.00294  -0.00228   1.86874
   A105       2.32450   0.00074  -0.00168  -0.00014  -0.00180   2.32270
   A106       2.08766   0.00018   0.00094   0.00308   0.00403   2.09170
   A107       1.89838   0.00041   0.00006   0.00158   0.00165   1.90003
   A108       2.26566  -0.00077   0.00312  -0.00109   0.00204   2.26770
   A109       2.11778   0.00036  -0.00337  -0.00061  -0.00399   2.11380
   A110       2.07936  -0.00008   0.00001   0.00037   0.00033   2.07970
   A111       2.09740   0.00040  -0.00029   0.00248   0.00220   2.09960
   A112       2.10639  -0.00032   0.00029  -0.00280  -0.00251   2.10389
   A113       2.10326  -0.00023   0.00052  -0.00339  -0.00292   2.10034
   A114       2.09313  -0.00011   0.00009   0.00002   0.00007   2.09320
   A115       2.08652   0.00035  -0.00055   0.00369   0.00310   2.08962
   A116       2.11786   0.00052  -0.00152   0.00526   0.00378   2.12164
   A117       2.09065  -0.00055   0.00086  -0.00441  -0.00357   2.08708
   A118       2.07467   0.00003   0.00066  -0.00085  -0.00022   2.07446
   A119       2.05908  -0.00046   0.00222  -0.00304  -0.00102   2.05806
   A120       2.12345   0.00009   0.00108   0.00452   0.00526   2.12871
   A121       2.10011   0.00039  -0.00308  -0.00036  -0.00378   2.09633
   A122       2.05278  -0.00031   0.00181  -0.00277  -0.00100   2.05178
   A123       2.12750  -0.00044   0.00044  -0.00228  -0.00181   2.12570
   A124       2.10247   0.00076  -0.00233   0.00508   0.00278   2.10525
   A125       2.12062   0.00000   0.00025   0.00050   0.00069   2.12131
   A126       2.08149  -0.00068  -0.00021  -0.00686  -0.00704   2.07445
   A127       2.08106   0.00068  -0.00004   0.00635   0.00634   2.08740
   A128       2.10324   0.00004  -0.00075   0.00078  -0.00013   2.10311
   A129       2.08879  -0.00014   0.00045  -0.00108  -0.00070   2.08809
   A130       2.09030   0.00014   0.00039   0.00122   0.00154   2.09184
   A131       2.07838  -0.00028  -0.00004  -0.00122  -0.00129   2.07708
   A132       2.09769   0.00047   0.00032   0.00314   0.00347   2.10116
   A133       2.10706  -0.00018  -0.00026  -0.00189  -0.00214   2.10493
   A134       2.08008  -0.00006  -0.00001   0.00012  -0.00001   2.08007
   A135       2.09621   0.00034   0.00046   0.00272   0.00312   2.09933
   A136       2.10686  -0.00027  -0.00044  -0.00269  -0.00320   2.10366
   A137       2.10122   0.00030  -0.00127   0.00159   0.00031   2.10153
   A138       2.09794  -0.00071   0.00042  -0.00596  -0.00556   2.09238
   A139       2.08377   0.00042   0.00086   0.00456   0.00541   2.08918
   A140       2.12094  -0.00020   0.00062  -0.00133  -0.00076   2.12018
   A141       2.08415   0.00017  -0.00012   0.00223   0.00202   2.08617
   A142       2.07769   0.00005  -0.00038  -0.00039  -0.00087   2.07682
   A143       2.05675  -0.00017   0.00151  -0.00031   0.00110   2.05786
   A144       2.11906  -0.00000  -0.00005   0.00106   0.00090   2.11996
   A145       2.10737   0.00017  -0.00153  -0.00079  -0.00244   2.10493
   A146       2.05534  -0.00044   0.00166  -0.00280  -0.00119   2.05414
   A147       2.11721   0.00057   0.00048   0.00621   0.00671   2.12392
   A148       2.11025  -0.00012  -0.00220  -0.00325  -0.00542   2.10483
   A149       2.11861   0.00028   0.00055   0.00238   0.00288   2.12149
   A150       2.07153   0.00051   0.00030   0.00422   0.00454   2.07607
   A151       2.09303  -0.00079  -0.00088  -0.00664  -0.00750   2.08553
   A152       2.10478  -0.00016  -0.00144  -0.00104  -0.00251   2.10227
   A153       2.08697   0.00018   0.00030   0.00093   0.00124   2.08821
   A154       2.09141  -0.00002   0.00116   0.00013   0.00130   2.09271
   A155       2.08037  -0.00047  -0.00000  -0.00227  -0.00229   2.07808
   A156       2.10204  -0.00002  -0.00007  -0.00180  -0.00187   2.10016
   A157       2.10037   0.00050  -0.00002   0.00436   0.00435   2.10472
   A158       2.08079  -0.00032   0.00133  -0.00254  -0.00122   2.07958
   A159       2.09492   0.00068  -0.00056   0.00552   0.00491   2.09983
   A160       2.10745  -0.00037  -0.00090  -0.00306  -0.00401   2.10344
   A161       2.10268   0.00006  -0.00108  -0.00014  -0.00127   2.10141
   A162       2.08981   0.00021   0.00115   0.00220   0.00322   2.09303
   A163       2.09059  -0.00027  -0.00003  -0.00175  -0.00191   2.08868
   A164       2.11951  -0.00004  -0.00023   0.00104   0.00081   2.12032
   A165       2.08427   0.00031  -0.00024   0.00260   0.00229   2.08657
   A166       2.07939  -0.00026   0.00046  -0.00356  -0.00317   2.07622
   A167       2.05681  -0.00023   0.00199  -0.00096   0.00104   2.05785
   A168       2.12298  -0.00012   0.00082   0.00105   0.00185   2.12483
   A169       2.10332   0.00036  -0.00286  -0.00016  -0.00303   2.10028
   A170       2.04987   0.00046   0.00164   0.00294   0.00442   2.05429
   A171       2.12467  -0.00010   0.00068   0.00159   0.00217   2.12684
   A172       2.10859  -0.00035  -0.00230  -0.00427  -0.00667   2.10192
   A173       2.12014   0.00025  -0.00077   0.00269   0.00181   2.12195
   A174       2.07383   0.00021   0.00004   0.00087   0.00090   2.07473
   A175       2.08901  -0.00045   0.00079  -0.00330  -0.00252   2.08650
   A176       2.10558  -0.00042   0.00073  -0.00464  -0.00411   2.10146
   A177       2.08627   0.00016  -0.00017   0.00220   0.00207   2.08835
   A178       2.09093   0.00028  -0.00053   0.00286   0.00237   2.09330
   A179       2.07597   0.00028  -0.00122   0.00437   0.00257   2.07854
   A180       2.09752   0.00040   0.00067   0.00239   0.00287   2.10039
   A181       2.10933  -0.00065   0.00069  -0.00573  -0.00524   2.10409
   A182       1.93127   0.00474   0.00267   0.04723   0.05026   1.98153
   A183       1.81876  -0.02235  -0.02549   0.00535  -0.02026   1.79851
   A184       1.81361   0.00975   0.01153  -0.02843  -0.01698   1.79663
   A185       2.07419   0.00465   0.00259  -0.01031  -0.00751   2.06667
   A186       1.94858   0.00005   0.00891  -0.00861   0.00044   1.94902
   A187       1.85573   0.00284  -0.00152  -0.00847  -0.01050   1.84523
   A188       2.11342  -0.01448   0.01054  -0.00694   0.00361   2.11702
   A189       2.28164  -0.00572  -0.01597   0.00850  -0.00746   2.27417
   A190       1.87174   0.00054  -0.00155   0.00466   0.00303   1.87477
   A191       1.87351  -0.01069  -0.00631   0.06955   0.06348   1.93698
   A192       1.85341   0.00515   0.00950  -0.03526  -0.02552   1.82789
   A193       1.94878   0.00532  -0.00835  -0.00747  -0.01631   1.93247
   A194       1.97773  -0.00207  -0.00049   0.00336   0.00253   1.98026
   A195       1.93202   0.00108   0.00721  -0.03037  -0.02312   1.90889
   A196       1.89396   0.00041   0.00042   0.00775   0.00813   1.90209
   A197       1.94705  -0.00004  -0.00061  -0.00050  -0.00112   1.94593
   A198       1.90470   0.00034   0.00009   0.00292   0.00298   1.90768
   A199       1.88513   0.00003   0.00083   0.00182   0.00264   1.88777
   A200       1.89400   0.00001   0.00090   0.00420   0.00505   1.89905
   A201       1.93770  -0.00072  -0.00155  -0.01554  -0.01710   1.92060
   A202       1.88139   0.00015   0.00083  -0.00487  -0.00404   1.87735
   A203       1.89993   0.00001  -0.00076   0.00453   0.00376   1.90368
   A204       1.89719  -0.00003  -0.00286   0.00251  -0.00034   1.89685
   A205       1.94407  -0.00038   0.00350  -0.01031  -0.00681   1.93726
   A206       1.94159   0.00015   0.00077   0.00204   0.00282   1.94441
   A207       1.89870   0.00010  -0.00167   0.00635   0.00469   1.90338
   A208       1.90899   0.00078   0.00069   0.01051   0.01119   1.92018
   A209       1.91896   0.00039  -0.00057   0.00086   0.00026   1.91922
   A210       1.95335  -0.00083   0.00058  -0.00706  -0.00651   1.94685
   A211       1.89369  -0.00048  -0.00040  -0.00450  -0.00491   1.88879
   A212       1.88493   0.00035   0.00066   0.00717   0.00783   1.89276
   A213       1.90272  -0.00022  -0.00098  -0.00689  -0.00791   1.89481
   A214       2.11997  -0.00839  -0.00562   0.07838   0.07276   2.19273
    D1       -0.01602   0.00029  -0.00120   0.00399   0.00279  -0.01323
    D2        3.11752   0.00002  -0.01598  -0.02606  -0.04207   3.07545
    D3        3.11692   0.00031  -0.00344   0.00214  -0.00134   3.11558
    D4       -0.03272   0.00004  -0.01822  -0.02791  -0.04621  -0.07893
    D5       -0.00326   0.00010   0.00867   0.01803   0.02668   0.02342
    D6        3.13273  -0.00015  -0.00002  -0.00359  -0.00375   3.12898
    D7       -3.13615   0.00007   0.01095   0.01983   0.03077  -3.10538
    D8       -0.00016  -0.00018   0.00225  -0.00178   0.00034   0.00017
    D9        2.29294  -0.00080   0.02649   0.01353   0.04002   2.33297
   D10       -0.87904  -0.00079   0.02279   0.00601   0.02882  -0.85022
   D11       -0.85737  -0.00077   0.02416   0.01170   0.03585  -0.82152
   D12        2.25383  -0.00076   0.02047   0.00418   0.02464   2.27848
   D13        0.02640  -0.00049  -0.01061  -0.02754  -0.03809  -0.01169
   D14       -3.05664   0.00034  -0.00628  -0.00404  -0.01024  -3.06689
   D15       -3.10688  -0.00021   0.00468   0.00346   0.00807  -3.09881
   D16        0.09326   0.00061   0.00901   0.02697   0.03592   0.12918
   D17       -0.01779   0.00028   0.01501   0.02929   0.04426   0.02647
   D18        3.11457  -0.00028   0.00737   0.00968   0.01691   3.13148
   D19        3.06745  -0.00055   0.01092   0.00676   0.01770   3.08514
   D20       -0.08337  -0.00111   0.00327  -0.01285  -0.00966  -0.09303
   D21        3.13488   0.00038  -0.00989  -0.00647  -0.01641   3.11847
   D22        0.01683   0.00134  -0.00882   0.01056   0.00159   0.01842
   D23        0.05186   0.00123  -0.00560   0.01709   0.01147   0.06333
   D24       -3.06619   0.00220  -0.00453   0.03412   0.02947  -3.03673
   D25       -0.00096   0.00011  -0.00782  -0.00787  -0.01569  -0.01665
   D26        3.13401   0.00001  -0.00424  -0.00616  -0.01044   3.12357
   D27       -3.13342   0.00065  -0.00025   0.01151   0.01127  -3.12215
   D28        0.00155   0.00055   0.00333   0.01321   0.01652   0.01807
   D29       -0.09805  -0.00103   0.00466  -0.01295  -0.00829  -0.10634
   D30        3.02556   0.00027   0.01082  -0.01300  -0.00231   3.02325
   D31        3.03433  -0.00157  -0.00305  -0.03248  -0.03553   2.99880
   D32       -0.12525  -0.00028   0.00310  -0.03254  -0.02954  -0.15479
   D33        0.01166  -0.00030  -0.00418  -0.01607  -0.02026  -0.00861
   D34       -3.12425  -0.00005   0.00458   0.00578   0.01019  -3.11407
   D35       -3.12311  -0.00021  -0.00786  -0.01787  -0.02568   3.13439
   D36        0.02416   0.00004   0.00090   0.00398   0.00477   0.02893
   D37        0.16353   0.00049   0.00025   0.00415   0.00456   0.16809
   D38       -2.94222   0.00191   0.00920   0.03801   0.04705  -2.89516
   D39       -3.00081  -0.00052  -0.00081  -0.01255  -0.01330  -3.01411
   D40        0.17664   0.00090   0.00814   0.02131   0.02920   0.20583
   D41        3.02765  -0.00166   0.00024  -0.02127  -0.02097   3.00668
   D42       -0.14668  -0.00088  -0.00410  -0.01807  -0.02214  -0.16882
   D43       -0.09086  -0.00070   0.00128  -0.00447  -0.00315  -0.09401
   D44        3.01799   0.00008  -0.00305  -0.00127  -0.00432   3.01368
   D45       -0.34424  -0.00111   0.00861  -0.02673  -0.01808  -0.36233
   D46        2.86555  -0.00044  -0.00538  -0.01567  -0.02089   2.84466
   D47        2.76024  -0.00276  -0.00080  -0.06231  -0.06343   2.69681
   D48       -0.31316  -0.00208  -0.01479  -0.05125  -0.06623  -0.37939
   D49       -0.12434  -0.00080  -0.01011  -0.02476  -0.03466  -0.15900
   D50        2.98844  -0.00162  -0.01773  -0.05294  -0.07084   2.91760
   D51        3.05389   0.00076  -0.00104   0.01012   0.00928   3.06317
   D52       -0.11651  -0.00007  -0.00866  -0.01806  -0.02690  -0.14342
   D53        0.31125   0.00165  -0.01105   0.03166   0.02055   0.33179
   D54       -2.81174   0.00043  -0.01741   0.03217   0.01468  -2.79706
   D55       -2.89641   0.00203   0.00280   0.02323   0.02604  -2.87037
   D56        0.26379   0.00081  -0.00356   0.02373   0.02017   0.28396
   D57        2.84386  -0.00070   0.00681  -0.02829  -0.02153   2.82233
   D58       -0.68145  -0.01098   0.00170  -0.04303  -0.04124  -0.72269
   D59       -0.22916  -0.00025  -0.00731  -0.01751  -0.02476  -0.25392
   D60        2.52872  -0.01053  -0.01242  -0.03225  -0.04447   2.48425
   D61        3.05164  -0.00262  -0.00047  -0.00892  -0.00940   3.04224
   D62       -0.10846  -0.00132   0.00586  -0.00916  -0.00336  -0.11182
   D63       -0.05354  -0.00013  -0.00951  -0.01113  -0.02065  -0.07420
   D64        3.12158   0.00007  -0.00655  -0.01325  -0.01982   3.10176
   D65        3.12017  -0.00089  -0.00524  -0.01414  -0.01936   3.10081
   D66        0.01211  -0.00069  -0.00228  -0.01626  -0.01853  -0.00642
   D67        0.11045   0.00016   0.00778   0.00773   0.01548   0.12593
   D68       -3.00413   0.00014   0.00615   0.00213   0.00824  -2.99588
   D69       -3.06442   0.00002   0.00492   0.01029   0.01518  -3.04924
   D70        0.10419  -0.00000   0.00328   0.00469   0.00795   0.11213
   D71       -2.36525  -0.00017  -0.01033  -0.01259  -0.02290  -2.38815
   D72        0.73730   0.00028  -0.01129  -0.00244  -0.01370   0.72360
   D73        0.81018   0.00001  -0.00721  -0.01494  -0.02217   0.78801
   D74       -2.37046   0.00046  -0.00817  -0.00479  -0.01297  -2.38343
   D75       -0.02070   0.00052   0.00197   0.01102   0.01315  -0.00754
   D76       -3.13334   0.00127   0.00953   0.03875   0.04809  -3.08524
   D77        3.09370   0.00054   0.00365   0.01668   0.02047   3.11417
   D78       -0.01895   0.00128   0.01120   0.04441   0.05541   0.03647
   D79        0.06472   0.00040   0.01463   0.00276   0.01760   0.08232
   D80       -3.03246  -0.00014   0.01565   0.01058   0.02642  -3.00604
   D81       -2.66877   0.00039   0.01207  -0.00280   0.00919  -2.65958
   D82        0.51723  -0.00014   0.01309   0.00503   0.01801   0.53524
   D83       -0.15531  -0.00193  -0.01071   0.02847   0.01790  -0.13741
   D84       -2.40410   0.00470   0.00131   0.00789   0.00965  -2.39445
   D85        1.93848   0.00615   0.00838   0.02565   0.03395   1.97244
   D86        2.58355  -0.00499  -0.01054   0.02594   0.01519   2.59875
   D87        0.33476   0.00164   0.00148   0.00535   0.00694   0.34170
   D88       -1.60584   0.00308   0.00855   0.02311   0.03124  -1.57460
   D89        0.09000   0.00119  -0.01162   0.01529   0.00370   0.09370
   D90       -3.08011   0.00041  -0.01032   0.00375  -0.00651  -3.08663
   D91       -3.09291   0.00141  -0.01268   0.00789  -0.00477  -3.09768
   D92        0.02016   0.00064  -0.01138  -0.00365  -0.01498   0.00518
   D93        3.05685   0.00075   0.01387   0.02706   0.04101   3.09786
   D94       -0.08218  -0.00040   0.00215  -0.02366  -0.02140  -0.10358
   D95       -0.04079   0.00020   0.01488   0.03461   0.04950   0.00872
   D96        3.10336  -0.00095   0.00316  -0.01610  -0.01290   3.09046
   D97       -0.06717  -0.00067   0.00124  -0.01220  -0.01105  -0.07822
   D98        3.10192   0.00015   0.00006  -0.00104  -0.00105   3.10087
   D99        0.00991  -0.00098   0.00152  -0.02661  -0.02507  -0.01516
   D100       3.11544   0.00022  -0.00383  -0.00104  -0.00479   3.11065
   D101       3.12450  -0.00180   0.00266  -0.03762  -0.03499   3.08951
   D102      -0.05316  -0.00060  -0.00269  -0.01205  -0.01470  -0.06786
   D103       0.03231  -0.00079  -0.00867  -0.03687  -0.04552  -0.01321
   D104       3.13604  -0.00062  -0.01540  -0.04282  -0.05818   3.07787
   D105      -3.11174   0.00032   0.00265   0.01205   0.01475  -3.09699
   D106      -0.00801   0.00049  -0.00408   0.00610   0.00209  -0.00592
   D107      -0.00113   0.00037  -0.00167   0.00605   0.00436   0.00323
   D108       3.10765   0.00026   0.00350   0.01034   0.01385   3.12149
   D109      -3.10498   0.00021   0.00516   0.01219   0.01740  -3.08758
   D110       0.00380   0.00010   0.01033   0.01649   0.02688   0.03068
   D111      -0.01961   0.00049   0.00513   0.02534   0.03043   0.01082
   D112      -3.12301  -0.00082   0.01083  -0.00207   0.00881  -3.11420
   D113      -3.12795   0.00062  -0.00009   0.02089   0.02078  -3.10717
   D114       0.05184  -0.00070   0.00561  -0.00651  -0.00084   0.05100
   D115      -2.32257   0.00066  -0.02657  -0.01985  -0.04641  -2.36898
   D116       0.86671   0.00048  -0.02730  -0.02443  -0.05172   0.81499
   D117       0.78507   0.00057  -0.02129  -0.01529  -0.03659   0.74848
   D118      -2.30883   0.00039  -0.02202  -0.01987  -0.04190  -2.35073
   D119       3.11473   0.00024  -0.00104   0.00364   0.00265   3.11739
   D120      -0.08702   0.00035  -0.00595  -0.00260  -0.00851  -0.09553
   D121      -0.00087   0.00022   0.00207   0.00999   0.01208   0.01121
   D122       3.08057   0.00034  -0.00283   0.00375   0.00092   3.08148
   D123      -3.11637  -0.00008   0.00141  -0.00033   0.00113  -3.11524
   D124      -0.05610   0.00040  -0.00654  -0.00317  -0.00965  -0.06576
   D125      -0.00057  -0.00012  -0.00162  -0.00692  -0.00855  -0.00911
   D126       3.05969   0.00036  -0.00956  -0.00976  -0.01932   3.04037
   D127       3.12987  -0.00002  -0.00098  -0.00418  -0.00528   3.12459
   D128       0.06502  -0.00022   0.00288  -0.00290  -0.00014   0.06489
   D129       0.02130  -0.00044  -0.00017  -0.01319  -0.01339   0.00791
   D130      -3.04354  -0.00065   0.00368  -0.01190  -0.00825  -3.05179
   D131      -3.13053   0.00012   0.00090   0.00485   0.00564  -3.12489
   D132       0.09687  -0.00038   0.00397  -0.00216   0.00170   0.09856
   D133      -0.02236   0.00043   0.00015   0.01298   0.01315  -0.00921
   D134      -3.07815  -0.00008   0.00322   0.00598   0.00921  -3.06895
   D135      -3.10544  -0.00012   0.00050  -0.00210  -0.00162  -3.10706
   D136       0.11805  -0.00055   0.01199   0.00525   0.01724   0.13529
   D137      -0.00436  -0.00001   0.00117   0.00174   0.00289  -0.00148
   D138      -3.06406  -0.00044   0.01266   0.00909   0.02175  -3.04231
   D139       3.10615   0.00013  -0.00162  -0.00028  -0.00189   3.10426
   D140       0.02109  -0.00006   0.00211   0.00205   0.00416   0.02525
   D141       0.00536  -0.00003  -0.00226  -0.00424  -0.00648  -0.00112
   D142      -3.07970  -0.00022   0.00146  -0.00191  -0.00043  -3.08013
   D143      -0.01205   0.00030   0.00011   0.00837   0.00847  -0.00358
   D144      -3.11338   0.00000   0.00105   0.00259   0.00365  -3.10972
   D145       3.06007   0.00040  -0.00301   0.00673   0.00367   3.06374
   D146      -0.04126   0.00011  -0.00208   0.00096  -0.00115  -0.04241
   D147       3.09562   0.00020  -0.00141   0.00162   0.00021   3.09582
   D148      -0.01464  -0.00003   0.00126   0.00012   0.00137  -0.01327
   D149       0.03931  -0.00001   0.00265   0.00320   0.00587   0.04518
   D150      -3.07094  -0.00024   0.00531   0.00170   0.00703  -3.06392
   D151      -0.00167  -0.00003  -0.00002  -0.00039  -0.00039  -0.00206
   D152       3.11175   0.00000  -0.00686  -0.01090  -0.01771   3.09405
   D153       3.09197   0.00030  -0.00097   0.00639   0.00541   3.09738
   D154      -0.07779   0.00033  -0.00781  -0.00412  -0.01191  -0.08969
   D155      -0.00064   0.00022   0.00211   0.00826   0.01038   0.00974
   D156       3.12965   0.00023   0.00407   0.01176   0.01584  -3.13770
   D157      -3.08952  -0.00013   0.00324   0.00082   0.00409  -3.08543
   D158       0.04077  -0.00012   0.00520   0.00431   0.00955   0.05032
   D159       0.01481  -0.00026  -0.00006  -0.00780  -0.00787   0.00694
   D160       3.07939   0.00019  -0.00264  -0.00124  -0.00392   3.07547
   D161      -3.10305  -0.00029   0.00579   0.00112   0.00692  -3.09613
   D162      -0.03846   0.00016   0.00321   0.00767   0.01086  -0.02760
   D163      -3.09850  -0.00026   0.00522   0.00288   0.00810  -3.09040
   D164       0.03493  -0.00010   0.00751   0.01010   0.01763   0.05256
   D165       0.01209  -0.00023  -0.00234  -0.00872  -0.01105   0.00104
   D166      -3.13766  -0.00006  -0.00005  -0.00149  -0.00152  -3.13918
   D167       3.07846   0.00070  -0.00326   0.01278   0.00950   3.08796
   D168      -0.02783   0.00001  -0.01642  -0.02338  -0.03991  -0.06774
   D169       0.03186   0.00016  -0.00005   0.00508   0.00503   0.03688
   D170      -3.07443  -0.00053  -0.01322  -0.03108  -0.04439  -3.11882
   D171       0.00193  -0.00024  -0.00172  -0.00913  -0.01082  -0.00890
   D172       3.13450  -0.00030   0.00509  -0.00005   0.00506   3.13956
   D173      -3.08525  -0.00029   0.00251  -0.00338  -0.00083  -3.08607
   D174       0.04733  -0.00036   0.00932   0.00569   0.01506   0.06238
   D175      -3.10769  -0.00015  -0.00475  -0.01018  -0.01493  -3.12262
   D176       0.00443   0.00025  -0.00715  -0.00400  -0.01113  -0.00670
   D177      -0.03289  -0.00004  -0.00996  -0.01716  -0.02712  -0.06001
   D178       3.07923   0.00036  -0.01236  -0.01097  -0.02333   3.05591
   D179      -0.00224   0.00016   0.00071   0.00480   0.00548   0.00324
   D180      -3.10684  -0.00010   0.00444   0.00473   0.00917  -3.09768
   D181      -3.13303   0.00024  -0.00742  -0.00609  -0.01351   3.13665
   D182       0.04555  -0.00002  -0.00369  -0.00616  -0.00982   0.03574
   D183      -0.02966   0.00057  -0.00245   0.01037   0.00794  -0.02171
   D184      -3.14088  -0.00005   0.00058  -0.00068  -0.00007  -3.14095
   D185       3.10007   0.00048   0.00649   0.02231   0.02882   3.12889
   D186      -0.01115  -0.00015   0.00953   0.01126   0.02081   0.00966
   D187       0.00174  -0.00002   0.00056   0.00126   0.00184   0.00358
   D188      -3.06671  -0.00041   0.00751   0.00386   0.01140  -3.05531
   D189       3.11228   0.00022  -0.00267   0.00135  -0.00131   3.11096
   D190       0.04382  -0.00017   0.00427   0.00395   0.00825   0.05207
   D191       3.10222  -0.00015  -0.00871  -0.01946  -0.02818   3.07405
   D192      -0.04751   0.00033  -0.00428   0.00093  -0.00331  -0.05083
   D193       0.00137  -0.00044  -0.00453  -0.01958  -0.02410  -0.02273
   D194       3.13482   0.00004  -0.00010   0.00081   0.00076   3.13558
   D195      -3.10839   0.00015   0.00794   0.01816   0.02613  -3.08226
   D196       0.03133  -0.00021   0.00038  -0.00417  -0.00378   0.02755
   D197      -0.05681   0.00065  -0.00058   0.01483   0.01423  -0.04258
   D198       3.08291   0.00029  -0.00815  -0.00750  -0.01568   3.06723
   D199       0.00171   0.00005   0.00034   0.00136   0.00172   0.00342
   D200      -3.10599  -0.00028  -0.00156  -0.00901  -0.01056  -3.11655
   D201       3.06892   0.00047  -0.00976  -0.00504  -0.01476   3.05415
   D202      -0.03878   0.00014  -0.01166  -0.01542  -0.02704  -0.06582
   D203       3.11763  -0.00049  -0.00797  -0.02549  -0.03343   3.08420
   D204      -0.03567   0.00027  -0.00443   0.00027  -0.00409  -0.03976
   D205       0.06720  -0.00099   0.00455  -0.01748  -0.01290   0.05430
   D206      -3.08611  -0.00024   0.00809   0.00829   0.01645  -3.06966
   D207       0.00156  -0.00008  -0.00170  -0.00392  -0.00561  -0.00405
   D208      -3.14138  -0.00038   0.00610   0.00047   0.00656  -3.13482
   D209       3.10271   0.00030   0.00070   0.00848   0.00915   3.11186
   D210      -0.04023   0.00001   0.00850   0.01287   0.02132  -0.01891
   D211      -0.02686   0.00106   0.01278   0.04670   0.05956   0.03270
   D212      -3.13955  -0.00001   0.00463   0.00661   0.01118  -3.12838
   D213      -3.12397   0.00064   0.01021   0.03305   0.04336  -3.08061
   D214       0.04652  -0.00043   0.00206  -0.00704  -0.00502   0.04150
   D215      -0.00426   0.00007   0.00244   0.00504   0.00746   0.00320
   D216       3.08649   0.00020  -0.00063   0.00292   0.00226   3.08875
   D217       3.13846   0.00032  -0.00413   0.00136  -0.00278   3.13568
   D218      -0.05397   0.00044  -0.00720  -0.00077  -0.00799  -0.06195
   D219      -3.11173  -0.00010  -0.00689  -0.01231  -0.01922  -3.13095
   D220       0.02251  -0.00012  -0.01476  -0.02492  -0.03977  -0.01725
   D221       0.02838  -0.00042   0.00168  -0.00749  -0.00581   0.02257
   D222      -3.12056  -0.00045  -0.00619  -0.02010  -0.02636   3.13627
   D223       3.12580  -0.00012   0.00326   0.00153   0.00478   3.13059
   D224      -0.00205  -0.00007   0.00612   0.00762   0.01373   0.01168
   D225       0.04689  -0.00032   0.00724   0.00405   0.01128   0.05817
   D226      -3.08096  -0.00028   0.01010   0.01014   0.02023  -3.06074
   D227       0.01943  -0.00005  -0.00151  -0.00303  -0.00451   0.01492
   D228       3.13577   0.00038   0.00172   0.01168   0.01339  -3.13403
   D229      -3.11396  -0.00022  -0.00382  -0.01032  -0.01409  -3.12805
   D230       0.00238   0.00021  -0.00058   0.00439   0.00381   0.00619
   D231      -0.02605   0.00038   0.00478   0.01629   0.02107  -0.00498
   D232       3.11578   0.00040   0.00497   0.01740   0.02233   3.13812
   D233       3.14070  -0.00004   0.00155   0.00169   0.00325  -3.13923
   D234      -0.00065  -0.00003   0.00174   0.00280   0.00452   0.00386
   D235       0.00016  -0.00044  -0.00394  -0.01702  -0.02098  -0.02082
   D236       3.10693   0.00024   0.00905   0.01874   0.02767   3.13460
   D237       3.14151  -0.00045  -0.00413  -0.01812  -0.02224   3.11927
   D238      -0.03490   0.00022   0.00886   0.01764   0.02641  -0.00849
   D239       0.00346  -0.00046  -0.00340  -0.01694  -0.02033  -0.01687
   D240      -3.13117  -0.00026  -0.00524  -0.01438  -0.01961   3.13241
   D241       3.11418  -0.00025  -0.00596  -0.01560  -0.02156   3.09263
   D242      -0.02044  -0.00005  -0.00780  -0.01305  -0.02084  -0.04128
   D243      -0.04489   0.00082   0.00347   0.02685   0.03032  -0.01458
   D244       3.14107   0.00004   0.00086   0.00275   0.00364  -3.13848
   D245       3.08974   0.00063   0.00531   0.02424   0.02954   3.11928
   D246      -0.00749  -0.00016   0.00270   0.00014   0.00287  -0.00462
   D247       0.04264  -0.00070  -0.00274  -0.02194  -0.02467   0.01798
   D248      -3.08758  -0.00071  -0.00471  -0.02548  -0.03017  -3.11776
   D249       3.13983   0.00008  -0.00013   0.00213   0.00201  -3.14134
   D250       0.00960   0.00006  -0.00210  -0.00142  -0.00350   0.00611
   D251      -0.03147   0.00056   0.00114   0.01632   0.01745  -0.01402
   D252       3.13439   0.00019   0.00066   0.00697   0.00764  -3.14116
   D253       3.11832   0.00007  -0.00332  -0.00422  -0.00750   3.11082
   D254       0.00100  -0.00029  -0.00380  -0.01358  -0.01732  -0.01632
   D255       0.01775  -0.00006   0.00261   0.00292   0.00554   0.02329
   D256      -3.09280  -0.00054  -0.00309  -0.01675  -0.01986  -3.11266
   D257       3.13527   0.00029   0.00308   0.01205   0.01518  -3.13273
   D258       0.02472  -0.00019  -0.00262  -0.00762  -0.01022   0.01450
   D259       0.02633  -0.00055  -0.00278  -0.01837  -0.02115   0.00518
   D260      -3.11340  -0.00019   0.00471   0.00380   0.00849  -3.10491
   D261       3.13699  -0.00008   0.00290   0.00127   0.00417   3.14116
   D262      -0.00274   0.00029   0.01039   0.02344   0.03381   0.03107
   D263       0.00190   0.00027   0.00403   0.01317   0.01720   0.01910
   D264       3.13672   0.00022   0.00112   0.00763   0.00873  -3.13774
   D265      -3.11035  -0.00014   0.00636   0.00685   0.01323  -3.09712
   D266       0.02447  -0.00019   0.00345   0.00131   0.00476   0.02923
   D267       0.01480  -0.00008   0.00275   0.00248   0.00525   0.02005
   D268      -3.13523  -0.00008   0.00485   0.00559   0.01047  -3.12476
   D269      -3.11994  -0.00004   0.00569   0.00805   0.01372  -3.10622
   D270       0.01322  -0.00004   0.00779   0.01115   0.01894   0.03215
   D271      -0.00048  -0.00034  -0.00356  -0.01440  -0.01794  -0.01842
   D272       3.11077   0.00027  -0.00659  -0.00347  -0.01002   3.10075
   D273      -3.13362  -0.00035  -0.00566  -0.01752  -0.02317   3.12640
   D274      -0.02236   0.00027  -0.00869  -0.00658  -0.01525  -0.03761
   D275       0.00204   0.00024   0.00376   0.01224   0.01598   0.01802
   D276      -3.12362  -0.00033  -0.00180  -0.01046  -0.01230  -3.13592
   D277      -3.13215   0.00026   0.01168   0.02491   0.03653  -3.09562
   D278       0.02537  -0.00032   0.00612   0.00221   0.00825   0.03362
   D279      -0.00854  -0.00012  -0.00370  -0.00894  -0.01265  -0.02119
   D280       3.13897  -0.00041  -0.00845  -0.02345  -0.03192   3.10705
   D281       3.11712   0.00047   0.00187   0.01381   0.01561   3.13273
   D282      -0.01855   0.00017  -0.00289  -0.00071  -0.00366  -0.02222
   D283      -0.01574   0.00014  -0.00187   0.00063  -0.00123  -0.01697
   D284       3.11228   0.00010  -0.00465  -0.00538  -0.01001   3.10227
   D285       3.11995   0.00044   0.00288   0.01512   0.01795   3.13790
   D286      -0.03522   0.00040   0.00009   0.00912   0.00917  -0.02605
   D287      -0.03179   0.00066   0.00110   0.01900   0.02011  -0.01168
   D288       3.13146   0.00036  -0.00341   0.00464   0.00118   3.13264
   D289       3.12141  -0.00009  -0.00240  -0.00655  -0.00886   3.11255
   D290       0.00147  -0.00038  -0.00692  -0.02092  -0.02779  -0.02632
   D291      -0.03265   0.00052   0.00011   0.01258   0.01268  -0.01997
   D292       3.13956  -0.00007  -0.00109  -0.00362  -0.00472   3.13484
   D293       3.08710   0.00082   0.00466   0.02712   0.03178   3.11887
   D294      -0.02388   0.00023   0.00346   0.01092   0.01437  -0.00950
   D295       0.06184  -0.00140  -0.00714  -0.04569  -0.05279   0.00904
   D296      -3.10886  -0.00030   0.00107  -0.00518  -0.00416  -3.11302
   D297      -3.11046  -0.00080  -0.00593  -0.02946  -0.03534   3.13738
   D298       0.00203   0.00029   0.00228   0.01106   0.01328   0.01532
   D299       2.17376  -0.01370  -0.03707   0.07156   0.03441   2.20817
   D300       0.01484  -0.00453  -0.02174   0.01148  -0.01019   0.00464
   D301      -2.19958  -0.01079  -0.03483   0.03910   0.00427  -2.19531
   D302       1.31043  -0.01007  -0.01280  -0.00550  -0.01806   1.29237
   D303      -2.89074   0.00138   0.00252   0.02943   0.03184  -2.85890
   D304      -0.60306   0.00969   0.01143   0.00306   0.01436  -0.58870
   D305      -2.71857   0.00376  -0.01899   0.05052   0.03118  -2.68739
   D306      -0.62215   0.00456  -0.03285   0.08178   0.04944  -0.57271
   D307       1.44501   0.00311  -0.02279   0.06320   0.04026   1.48527
   D308       3.00752  -0.00044   0.02091   0.01384   0.03475   3.04227
   D309      -1.16463  -0.00079   0.02518   0.00115   0.02633  -1.13829
   D310       0.90103  -0.00068   0.02114   0.01278   0.03392   0.93495
   D311      -2.96130  -0.00535   0.00151   0.04811   0.04955  -2.91175
   D312      -0.88654  -0.00508   0.00243   0.05498   0.05733  -0.82921
   D313       1.26101  -0.00579   0.00013   0.03699   0.03703   1.29804
   D314       1.27413   0.00431   0.01444  -0.03476  -0.02021   1.25392
   D315      -2.93430   0.00458   0.01537  -0.02789  -0.01243  -2.94673
   D316      -0.78675   0.00387   0.01307  -0.04588  -0.03273  -0.81948
   D317      -0.92180   0.00015   0.01191   0.00972   0.02163  -0.90017
   D318       1.15295   0.00042   0.01284   0.01658   0.02941   1.18236
   D319      -2.98268  -0.00029   0.01054  -0.00141   0.00911  -2.97357
   D320      -1.03432   0.00929   0.04134   0.14905   0.19025  -0.84407
   D321       1.01238   0.00641   0.03136   0.19280   0.22393   1.23631
   D322      -3.04993   0.00865   0.02982   0.16757   0.19776  -2.85217
   D323      -2.83508  -0.00068   0.02031   0.01912   0.03943  -2.79565
   D324      -0.75736  -0.00055   0.01990   0.02055   0.04044  -0.71691
   D325       1.35996  -0.00111   0.01865   0.00766   0.02632   1.38628
   D326       1.36491  -0.00057   0.01863   0.02271   0.04133   1.40624
   D327      -2.84056  -0.00043   0.01822   0.02414   0.04235  -2.79821
   D328      -0.72325  -0.00100   0.01697   0.01126   0.02823  -0.69502
   D329      -0.75667  -0.00054   0.01778   0.02035   0.03813  -0.71854
   D330       1.32105  -0.00041   0.01738   0.02177   0.03914   1.36019
   D331      -2.84482  -0.00097   0.01613   0.00889   0.02502  -2.81980
         Item               Value     Threshold  Converged?
 Maximum Force            0.025391     0.000450     NO 
 RMS     Force            0.002621     0.000300     NO 
 Maximum Displacement     1.289221     0.001800     NO 
 RMS     Displacement     0.147904     0.001200     NO 
 Predicted change in Energy=-4.961293D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.492664    3.255535    0.014932
      2          6           0       -2.720246    1.880318   -0.009743
      3          6           0       -1.657658    0.965137   -0.083333
      4          6           0       -0.342015    1.463946   -0.146935
      5          6           0       -0.118658    2.849556   -0.103490
      6          6           0       -1.171907    3.738675   -0.018604
      7          6           0       -1.867368   -0.480942   -0.202988
      8          6           0       -0.748334   -1.365777   -0.302626
      9          6           0        0.584278   -0.865477   -0.078041
     10          6           0        0.796771    0.556822   -0.211878
     11          6           0       -3.158931   -1.019166   -0.271884
     12          6           0       -3.380418   -2.369131   -0.543988
     13          6           0       -2.276758   -3.191838   -0.844044
     14          6           0       -1.002212   -2.695547   -0.719159
     15          7           0        1.690829   -1.656117    0.184206
     16          6           0        2.966173   -1.091041   -0.004281
     17          6           0        3.063344    0.286526   -0.354141
     18          7           0        1.981297    1.090653   -0.406567
     19          6           0        4.165489   -1.823636    0.072012
     20          6           0        5.387202   -1.226304   -0.172545
     21          6           0        5.485471    0.139716   -0.524761
     22          6           0        4.318149    0.874274   -0.616368
     23          7           0       -3.578748    4.155934    0.057499
     24          7           0       -4.671160   -2.913301   -0.565637
     25          7           0        6.744142    0.729025   -0.744899
     26          6           0       -5.023308   -4.149719    0.011930
     27          6           0       -6.406220   -4.367646   -0.180692
     28          6           0       -6.921397   -3.220569   -0.898469
     29          6           0       -5.834490   -2.340135   -1.116855
     30          6           0       -3.692683    5.268251    0.907578
     31          6           0       -4.906830    5.938571    0.628769
     32          6           0       -5.553776    5.212608   -0.442339
     33          6           0       -4.711118    4.123226   -0.773928
     34          6           0        7.159252    1.985750   -0.261984
     35          6           0        8.467838    2.245251   -0.731172
     36          6           0        8.865725    1.109125   -1.533241
     37          6           0        7.786137    0.192795   -1.520533
     38          6           0       -8.186433   -2.905326   -1.401458
     39          6           0       -8.356861   -1.723825   -2.114333
     40          6           0       -7.268172   -0.869565   -2.340199
     41          6           0       -5.994997   -1.167980   -1.859281
     42          6           0       -4.241212   -5.033718    0.757166
     43          6           0       -4.861472   -6.174460    1.262342
     44          6           0       -6.226513   -6.422197    1.051521
     45          6           0       -7.006669   -5.516796    0.339804
     46          6           0       -6.735830    5.419956   -1.159704
     47          6           0       -7.050952    4.563806   -2.209563
     48          6           0       -6.184637    3.514918   -2.555513
     49          6           0       -5.006678    3.281488   -1.849427
     50          6           0       -2.855201    5.683154    1.945611
     51          6           0       -3.218977    6.826096    2.653141
     52          6           0       -4.396668    7.530174    2.356153
     53          6           0       -5.249626    7.084965    1.352882
     54          6           0       10.032915    0.799216   -2.237037
     55          6           0       10.102770   -0.399605   -2.938892
     56          6           0        9.007655   -1.275946   -2.957807
     57          6           0        7.834942   -0.990429   -2.261409
     58          6           0        6.523165    2.850627    0.632056
     59          6           0        7.195801    4.014716    0.996421
     60          6           0        8.474660    4.310888    0.499414
     61          6           0        9.117526    3.427276   -0.360273
     62          8           0        0.227419   -3.153373    2.007135
     63         15           0        1.526052   -3.092364    1.325516
     64          8           0        2.832978   -2.999535    2.206169
     65          8           0        1.745845   -4.355825    0.349626
     66          6           0        2.763770   -2.979615    3.692287
     67          6           0        3.997986   -2.262822    4.193458
     68          6           0        2.957494   -4.870081   -0.261865
     69          6           0        2.599171   -6.166144   -0.970667
     70          1           0       -3.740241    1.536726    0.080045
     71          1           0        0.902342    3.206682   -0.136883
     72          1           0       -0.985899    4.804837   -0.011634
     73          1           0       -4.014182   -0.388288   -0.080726
     74          1           0       -2.437942   -4.204939   -1.189102
     75          1           0       -0.179773   -3.333185   -1.007272
     76          1           0        4.167962   -2.855166    0.376053
     77          1           0        6.290809   -1.810029   -0.045154
     78          1           0        4.319621    1.917026   -0.905362
     79          1           0       -9.024527   -3.575376   -1.235394
     80          1           0       -9.334964   -1.463299   -2.504369
     81          1           0       -7.414403    0.047442   -2.900672
     82          1           0       -5.170172   -0.495096   -2.052855
     83          1           0       -3.197003   -4.834484    0.966938
     84          1           0       -4.271069   -6.880534    1.837527
     85          1           0       -6.678751   -7.319483    1.461658
     86          1           0       -8.067729   -5.695958    0.194572
     87          1           0       -7.390238    6.248961   -0.908716
     88          1           0       -7.965211    4.714433   -2.774238
     89          1           0       -6.431370    2.871917   -3.394450
     90          1           0       -4.331994    2.489628   -2.149336
     91          1           0       -1.965059    5.128814    2.214262
     92          1           0       -2.580942    7.168851    3.461619
     93          1           0       -4.642357    8.426431    2.917119
     94          1           0       -6.179802    7.606185    1.146619
     95          1           0       10.863103    1.498155   -2.255939
     96          1           0       11.004673   -0.655161   -3.485145
     97          1           0        9.065448   -2.192562   -3.536265
     98          1           0        6.987993   -1.662177   -2.318195
     99          1           0        5.547957    2.627418    1.047734
    100          1           0        6.715508    4.704438    1.683512
    101          1           0        8.967761    5.230334    0.799292
    102          1           0       10.117413    3.641291   -0.725184
    103          1           0        1.857744   -2.474764    4.034893
    104          1           0        2.723986   -4.032633    3.982813
    105          1           0        4.097306   -2.435076    5.270287
    106          1           0        4.903095   -2.633448    3.704042
    107          1           0        3.889388   -1.190789    4.016997
    108          1           0        3.342342   -4.130792   -0.968553
    109          1           0        3.702227   -5.036386    0.521993
    110          1           0        3.500412   -6.762271   -1.139075
    111          1           0        1.912488   -6.751590   -0.353479
    112          1           0        2.124302   -5.977398   -1.935893
    113         17           0        0.914102    0.056809    3.112080
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0364669           0.0181652           0.0136236
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10633.9457467494 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.88D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999994    0.002077    0.000015   -0.002737 Ang=   0.39 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.45768338     A.U. after   18 cycles
            NFock= 18  Conv=0.22D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001661099   -0.001782311   -0.000357560
      2        6          -0.000245028    0.001190861    0.003903113
      3        6          -0.000014788   -0.000064442   -0.001290156
      4        6          -0.001845076    0.000697463    0.001795620
      5        6           0.000258070    0.000690643   -0.000170408
      6        6           0.000017978   -0.000386348   -0.002418136
      7        6           0.000014853    0.000853749    0.000551632
      8        6           0.000608171   -0.002518712   -0.000966606
      9        6           0.001200127    0.000607239    0.010030301
     10        6           0.000375368    0.003343095    0.001092874
     11        6          -0.000288698   -0.000713225    0.000192846
     12        6           0.000999029    0.000658205   -0.001202329
     13        6           0.000220556   -0.000053468   -0.000341291
     14        6           0.003666293   -0.000251188    0.002450889
     15        7          -0.000513773    0.001455749   -0.003008888
     16        6           0.000700121    0.000749029   -0.001010604
     17        6           0.002936271   -0.002912241    0.000623822
     18        7          -0.003161561    0.000697872    0.001160866
     19        6           0.001559171    0.000862767    0.001471926
     20        6           0.000425062   -0.000011870    0.002106481
     21        6          -0.001216406   -0.001664959    0.000250242
     22        6           0.000958643    0.000442881   -0.002760784
     23        7          -0.002665424    0.000699019    0.000165691
     24        7          -0.002222419    0.000183910    0.000770561
     25        7           0.001554947    0.002407244   -0.000929218
     26        6          -0.000100311    0.001145814    0.001454555
     27        6          -0.000738776    0.000816405    0.000662519
     28        6           0.000230387   -0.001492412   -0.001706552
     29        6           0.000962364   -0.000755794   -0.001688287
     30        6          -0.000219258   -0.002626281    0.002401942
     31        6          -0.000301262    0.001077975   -0.001515238
     32        6          -0.000372358    0.000339299    0.000261787
     33        6           0.002063191    0.001875387   -0.001550581
     34        6           0.001051075   -0.002747036    0.003409232
     35        6           0.000061756    0.001252563   -0.001233441
     36        6           0.001146847   -0.000360079    0.001578484
     37        6          -0.001609464    0.000733018   -0.001830436
     38        6          -0.000658626   -0.000248943    0.001071767
     39        6          -0.000210944    0.000295776   -0.000115204
     40        6           0.000073827    0.000420851   -0.000318741
     41        6          -0.000304539    0.001147296    0.001802074
     42        6           0.000526938   -0.000686501    0.000700345
     43        6           0.000503413   -0.000372599    0.000084994
     44        6          -0.000013146   -0.000635701    0.000079550
     45        6          -0.000457719   -0.001004135   -0.000389863
     46        6          -0.000258175    0.000041129   -0.000308622
     47        6          -0.000390498   -0.000115867   -0.000033642
     48        6          -0.000255335   -0.000605421    0.000438638
     49        6           0.000006209   -0.000097075    0.000094512
     50        6           0.000149894    0.000380831    0.000455624
     51        6           0.000368360   -0.000076098    0.000707849
     52        6           0.000092071    0.001050481   -0.000038026
     53        6          -0.001148216   -0.000627919    0.000719047
     54        6          -0.000528675    0.000640523   -0.001482484
     55        6           0.000443162   -0.000036391   -0.000211374
     56        6          -0.000370591   -0.000389343   -0.000330710
     57        6           0.000127528   -0.000291224   -0.000303055
     58        6          -0.000904943    0.000633271   -0.000497922
     59        6          -0.000773571    0.000416457    0.000271136
     60        6           0.000041267    0.000517337   -0.000214970
     61        6           0.000811007   -0.000145072    0.000612930
     62        8          -0.001198074   -0.000401550   -0.006329816
     63       15          -0.008794897   -0.006210063    0.001307913
     64        8           0.000763153    0.002262706    0.002976848
     65        8          -0.000449278    0.003347672   -0.003760945
     66        6           0.000711095   -0.001800010    0.002071892
     67        6          -0.001029690   -0.000725555   -0.000616900
     68        6          -0.003243529   -0.001354438    0.001260972
     69        6          -0.000191501   -0.000780665    0.001170133
     70        1          -0.001429898   -0.000288081   -0.000947724
     71        1           0.000152533    0.000091932   -0.000112520
     72        1          -0.000355576    0.001097530    0.000213884
     73        1          -0.000637433    0.000179270   -0.000354204
     74        1           0.000001735   -0.000376034   -0.000378617
     75        1           0.004275651   -0.001196642    0.002920864
     76        1           0.000670429    0.001387819    0.000363503
     77        1           0.000459525   -0.000067850   -0.000935975
     78        1           0.000221251    0.000648110    0.000381024
     79        1           0.000027711   -0.000312470   -0.000201131
     80        1          -0.000425197    0.000178985   -0.000087219
     81        1          -0.000168478    0.000602779   -0.000427505
     82        1           0.001296057    0.000131535   -0.000637533
     83        1           0.000101585   -0.000355533   -0.000189445
     84        1          -0.000032739   -0.000073002    0.000484206
     85        1           0.000014201   -0.000199517   -0.000046272
     86        1          -0.000208714    0.000106233    0.000289398
     87        1          -0.000272543    0.000257251    0.000102270
     88        1          -0.000238845   -0.000002968   -0.000240167
     89        1          -0.000090634   -0.000162395   -0.000595854
     90        1           0.000715816   -0.001075811    0.000342797
     91        1           0.001261350   -0.000044748   -0.000474176
     92        1           0.000268232    0.000213097    0.000049582
     93        1          -0.000259956   -0.000398274    0.000503648
     94        1           0.000129954    0.000458612   -0.000450562
     95        1           0.000684301    0.000039175    0.000698184
     96        1           0.000165057    0.000070505   -0.000441390
     97        1           0.000221964   -0.000391153   -0.000044272
     98        1          -0.000604919   -0.000875131    0.000717697
     99        1          -0.000514712   -0.000097169   -0.000429957
    100        1           0.000052895   -0.000006363    0.000231469
    101        1          -0.000054528   -0.000030044   -0.000082671
    102        1           0.000307258    0.000006891   -0.000082626
    103        1          -0.001577248    0.001776451   -0.007010679
    104        1           0.001977159   -0.000013813    0.001118094
    105        1          -0.000601431    0.000735063    0.000074898
    106        1           0.000402236   -0.000038963    0.000225171
    107        1           0.001016168    0.000507187   -0.000446787
    108        1           0.000665376   -0.001024801   -0.000653839
    109        1          -0.000099485   -0.000044041    0.001006302
    110        1           0.000394825    0.000515961   -0.001184317
    111        1           0.001019488   -0.000222520    0.000277719
    112        1          -0.001258829   -0.000105425    0.000096065
    113       17           0.001735654   -0.000591213   -0.006870157
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010030301 RMS     0.001504636

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.030283205 RMS     0.003572325
 Search for a local minimum.
 Step number  10 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    8   10    9
 DE=  1.75D-03 DEPred=-4.96D-03 R=-3.53D-01
 Trust test=-3.53D-01 RLast= 6.00D-01 DXMaxT set to 1.20D+00
 ITU= -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00425   0.00617   0.00943   0.01045   0.01203
     Eigenvalues ---    0.01338   0.01636   0.01694   0.02189   0.02463
     Eigenvalues ---    0.02486   0.02524   0.02546   0.02558   0.02588
     Eigenvalues ---    0.02604   0.02633   0.02666   0.02681   0.02685
     Eigenvalues ---    0.02698   0.02702   0.02708   0.02716   0.02721
     Eigenvalues ---    0.02734   0.02744   0.02750   0.02766   0.02792
     Eigenvalues ---    0.02798   0.02802   0.02812   0.02812   0.02818
     Eigenvalues ---    0.02819   0.02828   0.02842   0.02852   0.02861
     Eigenvalues ---    0.02868   0.02876   0.02877   0.02883   0.02894
     Eigenvalues ---    0.02899   0.02900   0.02903   0.02908   0.02911
     Eigenvalues ---    0.02913   0.02915   0.02917   0.02920   0.02928
     Eigenvalues ---    0.02934   0.02944   0.02947   0.02948   0.02950
     Eigenvalues ---    0.02952   0.02953   0.02957   0.02960   0.02964
     Eigenvalues ---    0.02966   0.02967   0.02968   0.02980   0.02987
     Eigenvalues ---    0.02990   0.02992   0.02998   0.03000   0.03018
     Eigenvalues ---    0.03022   0.03032   0.03053   0.03060   0.03063
     Eigenvalues ---    0.03070   0.03075   0.03088   0.03100   0.03109
     Eigenvalues ---    0.03117   0.03127   0.03143   0.03152   0.03170
     Eigenvalues ---    0.03180   0.03186   0.03187   0.03226   0.03245
     Eigenvalues ---    0.03257   0.03279   0.03309   0.03432   0.03573
     Eigenvalues ---    0.03635   0.05431   0.05555   0.05696   0.05854
     Eigenvalues ---    0.05888   0.05964   0.06261   0.07271   0.09160
     Eigenvalues ---    0.10878   0.11299   0.11985   0.12843   0.13568
     Eigenvalues ---    0.14721   0.15944   0.15976   0.15981   0.15986
     Eigenvalues ---    0.15987   0.15992   0.15992   0.15992   0.15994
     Eigenvalues ---    0.15995   0.15995   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16007   0.16013   0.16066   0.16392
     Eigenvalues ---    0.18460   0.19640   0.21502   0.21905   0.21997
     Eigenvalues ---    0.21998   0.21999   0.21999   0.22003   0.22101
     Eigenvalues ---    0.22279   0.22414   0.22436   0.22544   0.22589
     Eigenvalues ---    0.22591   0.22605   0.22628   0.22655   0.23256
     Eigenvalues ---    0.23431   0.23533   0.23561   0.23893   0.24093
     Eigenvalues ---    0.24309   0.24373   0.24405   0.24410   0.24427
     Eigenvalues ---    0.24473   0.24517   0.24521   0.24568   0.24687
     Eigenvalues ---    0.24803   0.24889   0.24891   0.24897   0.24921
     Eigenvalues ---    0.24928   0.24945   0.24959   0.24970   0.24971
     Eigenvalues ---    0.24979   0.24989   0.24997   0.25204   0.25304
     Eigenvalues ---    0.25968   0.26509   0.27177   0.27778   0.28296
     Eigenvalues ---    0.28366   0.28745   0.28848   0.29209   0.29328
     Eigenvalues ---    0.29651   0.30065   0.30441   0.30631   0.30657
     Eigenvalues ---    0.30789   0.30918   0.31068   0.31125   0.31251
     Eigenvalues ---    0.31349   0.31384   0.31487   0.31678   0.31879
     Eigenvalues ---    0.32138   0.32234   0.32614   0.33152   0.33439
     Eigenvalues ---    0.33551   0.33960   0.34034   0.34161   0.34497
     Eigenvalues ---    0.34670   0.34912   0.34938   0.35156   0.35501
     Eigenvalues ---    0.35581   0.36383   0.36758   0.36899   0.37134
     Eigenvalues ---    0.37310   0.38927   0.40044   0.41469   0.41539
     Eigenvalues ---    0.42045   0.42622   0.43025   0.43365   0.44558
     Eigenvalues ---    0.45288   0.46374   0.47071   0.47081   0.47161
     Eigenvalues ---    0.47605   0.47789   0.48262   0.49305   0.49973
     Eigenvalues ---    0.50321   0.50543   0.50614   0.51378   0.51656
     Eigenvalues ---    0.51902   0.52075   0.52226   0.52629   0.53092
     Eigenvalues ---    0.53137   0.53415   0.53780   0.54281   0.54307
     Eigenvalues ---    0.54981   0.55252   0.55534   0.55634   0.55801
     Eigenvalues ---    0.56092   0.56203   0.56206   0.56486   0.56596
     Eigenvalues ---    0.56925   0.57166   0.57195   0.57255   0.57820
     Eigenvalues ---    0.58232   0.58281   0.58315   0.58395   0.58539
     Eigenvalues ---    0.58663   0.58881   0.58910   0.59217   0.59467
     Eigenvalues ---    0.59787   0.59796   0.60116   0.60638   0.60866
     Eigenvalues ---    0.61768   0.62393   0.63249   0.63593   0.64457
     Eigenvalues ---    0.65277   0.65990   0.66095   0.66898   0.67919
     Eigenvalues ---    0.68868   0.72106   0.73320   0.74591   0.79762
     Eigenvalues ---    0.81149   0.85346   0.87478
 RFO step:  Lambda=-8.44953451D-03 EMin= 4.24903395D-03
 Quartic linear search produced a step of -0.57021.
 Iteration  1 RMS(Cart)=  0.15024835 RMS(Int)=  0.00702158
 Iteration  2 RMS(Cart)=  0.01192503 RMS(Int)=  0.00024560
 Iteration  3 RMS(Cart)=  0.00032618 RMS(Int)=  0.00010698
 Iteration  4 RMS(Cart)=  0.00000044 RMS(Int)=  0.00010698
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63454  -0.00084  -0.00153  -0.00029  -0.00182   2.63272
    R2        2.65837   0.00086   0.00185   0.00020   0.00205   2.66043
    R3        2.66720   0.00156   0.00332   0.00206   0.00538   2.67258
    R4        2.65375   0.00081   0.00299  -0.00014   0.00284   2.65658
    R5        2.04100   0.00130   0.00378  -0.00154   0.00225   2.04324
    R6        2.66161   0.00396   0.00184   0.00218   0.00400   2.66561
    R7        2.77052   0.00287   0.00452  -0.00119   0.00330   2.77382
    R8        2.65349   0.00107   0.00390  -0.00127   0.00263   2.65612
    R9        2.75403   0.00434   0.00717  -0.00057   0.00662   2.76065
   R10        2.60965   0.00099  -0.00035   0.00153   0.00119   2.61084
   R11        2.04501   0.00018   0.00174  -0.00163   0.00011   2.04512
   R12        2.04523   0.00108   0.00386  -0.00234   0.00152   2.04675
   R13        2.70244  -0.00199  -0.00089  -0.00086  -0.00181   2.70063
   R14        2.64735   0.00052   0.00220  -0.00063   0.00157   2.64892
   R15        2.72317  -0.00834  -0.00549   0.00327  -0.00221   2.72096
   R16        2.67664  -0.00166   0.00071  -0.00092  -0.00025   2.67639
   R17        2.72933  -0.00235  -0.00602   0.00660   0.00066   2.72999
   R18        2.61735  -0.01257  -0.00387  -0.00546  -0.00929   2.60806
   R19        2.48266   0.00111   0.00150   0.00133   0.00290   2.48556
   R20        2.63581   0.00187   0.00182  -0.00040   0.00146   2.63728
   R21        2.04056   0.00056   0.00054   0.00167   0.00221   2.04277
   R22        2.66240   0.00305   0.00388  -0.00031   0.00362   2.66602
   R23        2.64737   0.00213   0.00243   0.00287   0.00530   2.65267
   R24        2.59545   0.00153  -0.00021   0.00233   0.00212   2.59757
   R25        2.04529   0.00048   0.00258  -0.00217   0.00041   2.04571
   R26        2.04055   0.00322   0.00394  -0.00122   0.00272   2.04327
   R27        2.65998   0.00355   0.00249  -0.00644  -0.00401   2.65597
   R28        3.48066  -0.00638   0.00593  -0.00249   0.00345   3.48411
   R29        2.69214   0.00332   0.00321  -0.00057   0.00250   2.69463
   R30        2.65967   0.00172   0.00152   0.00063   0.00210   2.66177
   R31        2.54952   0.00907   0.00304   0.00299   0.00603   2.55554
   R32        2.66495   0.00212   0.00362   0.00180   0.00541   2.67036
   R33        2.61110   0.00034  -0.00189   0.00105  -0.00084   2.61026
   R34        2.03223  -0.00114   0.00073   0.00044   0.00117   2.03340
   R35        2.67229   0.00020   0.00118   0.00255   0.00378   2.67608
   R36        2.04708   0.00036   0.00056   0.00115   0.00171   2.04879
   R37        2.61207   0.00051  -0.00022  -0.00045  -0.00062   2.61145
   R38        2.65908   0.00190  -0.00071   0.00559   0.00488   2.66396
   R39        2.04480   0.00049   0.00024   0.00130   0.00153   2.04633
   R40        2.65428   0.00012   0.00197  -0.00271  -0.00075   2.65353
   R41        2.65545  -0.00102   0.00149  -0.00360  -0.00211   2.65334
   R42        2.66332   0.00189   0.00457  -0.00379   0.00078   2.66410
   R43        2.66290  -0.00095   0.00193  -0.00173   0.00020   2.66310
   R44        2.66236  -0.00051   0.00244  -0.00333  -0.00089   2.66147
   R45        2.65565  -0.00013   0.00212  -0.00347  -0.00136   2.65429
   R46        2.67050   0.00167   0.00207   0.00131   0.00338   2.67388
   R47        2.63785   0.00185   0.00285  -0.00033   0.00252   2.64036
   R48        2.73612   0.00101   0.00079   0.00205   0.00284   2.73896
   R49        2.64021   0.00138   0.00267   0.00116   0.00383   2.64404
   R50        2.67530   0.00046   0.00084   0.00114   0.00197   2.67727
   R51        2.64068   0.00082   0.00079   0.00192   0.00273   2.64341
   R52        2.63947   0.00049   0.00180  -0.00070   0.00109   2.64056
   R53        2.67329   0.00151   0.00236   0.00190   0.00424   2.67753
   R54        2.63956   0.00112   0.00234  -0.00061   0.00173   2.64129
   R55        2.73380   0.00117  -0.00049   0.00350   0.00301   2.73680
   R56        2.64296   0.00083   0.00160   0.00042   0.00201   2.64498
   R57        2.67700   0.00071   0.00058   0.00180   0.00241   2.67941
   R58        2.64214   0.00097   0.00305  -0.00058   0.00248   2.64463
   R59        2.64060   0.00043   0.00122   0.00001   0.00124   2.64184
   R60        2.67239   0.00135   0.00101   0.00252   0.00357   2.67596
   R61        2.64016   0.00058   0.00142  -0.00026   0.00114   2.64130
   R62        2.73352   0.00130   0.00197   0.00217   0.00414   2.73766
   R63        2.64348   0.00055   0.00040   0.00219   0.00263   2.64611
   R64        2.67604   0.00081  -0.00034   0.00304   0.00270   2.67873
   R65        2.64137   0.00091   0.00239   0.00008   0.00247   2.64384
   R66        2.63974   0.00086   0.00240  -0.00174   0.00066   2.64040
   R67        2.62745   0.00162   0.00348  -0.00048   0.00301   2.63046
   R68        2.05185   0.00017   0.00073  -0.00074  -0.00000   2.05185
   R69        2.64968   0.00110   0.00077   0.00210   0.00286   2.65254
   R70        2.04988   0.00045   0.00169  -0.00103   0.00066   2.05054
   R71        2.63297   0.00059   0.00127   0.00033   0.00158   2.63455
   R72        2.04965   0.00076   0.00286  -0.00328  -0.00042   2.04923
   R73        2.04456   0.00109   0.00232   0.00021   0.00253   2.04709
   R74        2.63291   0.00076   0.00071   0.00019   0.00091   2.63382
   R75        2.04760  -0.00004   0.00114  -0.00194  -0.00080   2.04680
   R76        2.65179   0.00055   0.00110   0.00133   0.00244   2.65423
   R77        2.05099   0.00027   0.00122  -0.00116   0.00006   2.05105
   R78        2.62865   0.00074   0.00121   0.00066   0.00187   2.63052
   R79        2.05090   0.00015   0.00055  -0.00032   0.00022   2.05112
   R80        2.05193   0.00014   0.00062  -0.00049   0.00012   2.05206
   R81        2.62835   0.00089   0.00059   0.00065   0.00123   2.62958
   R82        2.05146   0.00039   0.00151  -0.00195  -0.00044   2.05102
   R83        2.65259   0.00076   0.00126   0.00108   0.00233   2.65492
   R84        2.05052   0.00033   0.00143  -0.00144  -0.00000   2.05051
   R85        2.63251   0.00062   0.00166  -0.00117   0.00048   2.63300
   R86        2.05115   0.00057   0.00223  -0.00188   0.00036   2.05151
   R87        2.04596   0.00109   0.00317  -0.00164   0.00153   2.04749
   R88        2.63157   0.00063   0.00175  -0.00053   0.00122   2.63279
   R89        2.04564   0.00103   0.00378  -0.00250   0.00128   2.04692
   R90        2.65295   0.00109  -0.00054   0.00314   0.00260   2.65556
   R91        2.05121   0.00027   0.00090  -0.00056   0.00034   2.05155
   R92        2.62686   0.00126   0.00226   0.00092   0.00319   2.63004
   R93        2.05131   0.00003  -0.00002   0.00021   0.00020   2.05150
   R94        2.05228   0.00012   0.00052  -0.00037   0.00015   2.05244
   R95        2.62845   0.00106   0.00241  -0.00021   0.00220   2.63065
   R96        2.05110   0.00047   0.00176  -0.00126   0.00051   2.05161
   R97        2.65075   0.00106  -0.00072   0.00387   0.00314   2.65388
   R98        2.05027   0.00036   0.00167  -0.00145   0.00021   2.05049
   R99        2.63327   0.00058   0.00139  -0.00064   0.00074   2.63401
   R100       2.05115   0.00038   0.00171  -0.00159   0.00013   2.05128
   R101       2.04562   0.00102   0.00343  -0.00152   0.00191   2.04753
   R102       2.63229   0.00045   0.00056   0.00084   0.00136   2.63365
   R103       2.04723   0.00029   0.00107  -0.00008   0.00099   2.04822
   R104       2.65250   0.00095   0.00201   0.00052   0.00252   2.65502
   R105       2.05146   0.00012   0.00041  -0.00050  -0.00009   2.05136
   R106       2.62740   0.00084   0.00075   0.00105   0.00183   2.62924
   R107       2.05142  -0.00007  -0.00060   0.00121   0.00061   2.05203
   R108       2.05167   0.00030   0.00155  -0.00188  -0.00033   2.05134
   R109       2.77396  -0.00203  -0.00171   0.00139  -0.00032   2.77363
   R110       2.98327  -0.00134  -0.00583   0.00116  -0.00467   2.97860
   R111       3.04534   0.00019  -0.01373   0.01255  -0.00118   3.04415
   R112       2.81165  -0.01149  -0.00121  -0.00229  -0.00350   2.80816
   R113       2.74269  -0.00248  -0.00613   0.00009  -0.00604   2.73665
   R114       2.85858  -0.00013  -0.00276  -0.00021  -0.00298   2.85561
   R115       2.06416  -0.00451  -0.00387   0.00113  -0.00274   2.06142
   R116       2.06563   0.00048   0.00100  -0.00069   0.00030   2.06593
   R117       2.06931  -0.00012   0.00039   0.00029   0.00068   2.06999
   R118       2.06674   0.00024   0.00208  -0.00321  -0.00113   2.06561
   R119       2.06334   0.00033   0.00153  -0.00179  -0.00025   2.06309
   R120       2.87249   0.00035   0.00150  -0.00253  -0.00103   2.87146
   R121       2.06496  -0.00015   0.00023   0.00092   0.00115   2.06611
   R122       2.06726   0.00063   0.00224  -0.00116   0.00108   2.06834
   R123       2.06661   0.00034   0.00153  -0.00079   0.00074   2.06734
   R124       2.06595  -0.00025  -0.00193   0.00121  -0.00071   2.06523
   R125       2.06386   0.00051   0.00222  -0.00202   0.00019   2.06405
   R126       5.39513   0.00081  -0.09988  -0.01488  -0.11476   5.28037
    A1        2.08475   0.00105   0.00194   0.00281   0.00475   2.08950
    A2        2.09925  -0.00156  -0.00376   0.00278  -0.00098   2.09827
    A3        2.09911   0.00051   0.00184  -0.00558  -0.00374   2.09537
    A4        2.11795  -0.00026  -0.00228  -0.00110  -0.00333   2.11462
    A5        2.05613  -0.00016  -0.00009   0.00186   0.00186   2.05799
    A6        2.10787   0.00044   0.00306  -0.00082   0.00233   2.11021
    A7        2.06959  -0.00022   0.00133  -0.00187  -0.00047   2.06912
    A8        2.13986  -0.00045  -0.00147  -0.00059  -0.00194   2.13792
    A9        2.07059   0.00076   0.00111   0.00204   0.00310   2.07368
   A10        2.09054  -0.00022  -0.00029   0.00335   0.00310   2.09364
   A11        2.10770  -0.00191  -0.00145  -0.00197  -0.00342   2.10428
   A12        2.08437   0.00215   0.00204  -0.00147   0.00065   2.08502
   A13        2.11287  -0.00055  -0.00164  -0.00202  -0.00367   2.10919
   A14        2.06550   0.00028  -0.00284   0.00287   0.00003   2.06552
   A15        2.10482   0.00027   0.00447  -0.00085   0.00362   2.10844
   A16        2.09025   0.00022   0.00102  -0.00104   0.00002   2.09027
   A17        2.09386  -0.00054  -0.00535   0.00083  -0.00449   2.08937
   A18        2.09851   0.00034   0.00464   0.00020   0.00487   2.10338
   A19        2.09907  -0.00108  -0.00065  -0.00046  -0.00112   2.09795
   A20        2.11161   0.00417   0.00618  -0.00091   0.00543   2.11704
   A21        2.07177  -0.00306  -0.00525   0.00100  -0.00430   2.06747
   A22        2.09203  -0.00034  -0.00129  -0.00185  -0.00307   2.08897
   A23        2.05005   0.00655   0.00949   0.00317   0.01266   2.06271
   A24        2.13830  -0.00611  -0.00693  -0.00189  -0.00854   2.12975
   A25        2.05274   0.00699   0.00942  -0.00219   0.00707   2.05982
   A26        2.17747  -0.01581  -0.02554   0.00805  -0.01759   2.15988
   A27        2.05121   0.00878   0.01599  -0.00745   0.00838   2.05960
   A28        2.08733  -0.00382  -0.00321  -0.00347  -0.00663   2.08069
   A29        2.04678   0.00965   0.01411  -0.00135   0.01274   2.05952
   A30        2.14901  -0.00584  -0.01095   0.00473  -0.00630   2.14271
   A31        2.12684  -0.00018   0.00068  -0.00192  -0.00131   2.12554
   A32        2.09098   0.00035   0.00201   0.00102   0.00304   2.09402
   A33        2.06488  -0.00018  -0.00267   0.00116  -0.00150   2.06338
   A34        2.07410   0.00129   0.00301   0.00301   0.00600   2.08010
   A35        2.12382  -0.00373  -0.00897   0.00070  -0.00827   2.11555
   A36        2.08476   0.00246   0.00596  -0.00354   0.00243   2.08718
   A37        2.09045  -0.00100  -0.00148  -0.00040  -0.00193   2.08852
   A38        2.09190   0.00057  -0.00012  -0.00108  -0.00117   2.09073
   A39        2.10067   0.00043   0.00151   0.00154   0.00309   2.10376
   A40        2.13213  -0.00312  -0.00307  -0.00193  -0.00506   2.12707
   A41        2.09016  -0.00045  -0.00939   0.00686  -0.00238   2.08779
   A42        2.05914   0.00360   0.01327  -0.00538   0.00803   2.06717
   A43        2.05935   0.00239  -0.00376   0.00736   0.00308   2.06243
   A44        2.08401  -0.02839  -0.03189  -0.00476  -0.03661   2.04740
   A45        2.06811   0.02485   0.03668  -0.01956   0.01658   2.08469
   A46        2.07473  -0.00590  -0.00447   0.00233  -0.00230   2.07243
   A47        2.16017   0.00637   0.00457  -0.00748  -0.00273   2.15745
   A48        2.04712  -0.00045   0.00009   0.00485   0.00496   2.05208
   A49        2.13079   0.00113   0.00307  -0.00269   0.00021   2.13100
   A50        2.10524  -0.00064   0.00079  -0.00393  -0.00309   2.10215
   A51        2.04654  -0.00050  -0.00370   0.00626   0.00270   2.04924
   A52        2.06596  -0.00004   0.00346  -0.00467  -0.00129   2.06467
   A53        2.11627   0.00028  -0.00229  -0.00057  -0.00264   2.11363
   A54        2.11363   0.00063   0.00211  -0.00327  -0.00084   2.11279
   A55        2.05180  -0.00088   0.00103   0.00261   0.00396   2.05577
   A56        2.12132   0.00021   0.00308  -0.00470  -0.00161   2.11971
   A57        2.07576   0.00031   0.00284   0.00316   0.00596   2.08172
   A58        2.08501  -0.00049  -0.00565   0.00198  -0.00372   2.08130
   A59        2.06141   0.00069   0.00039   0.00468   0.00515   2.06657
   A60        2.10097  -0.00073  -0.00109  -0.00481  -0.00594   2.09503
   A61        2.12056   0.00004   0.00057   0.00006   0.00057   2.12113
   A62        2.11487  -0.00009  -0.00240  -0.00076  -0.00316   2.11171
   A63        2.04037   0.00028  -0.00286   0.00628   0.00338   2.04375
   A64        2.12783  -0.00019   0.00499  -0.00506  -0.00012   2.12771
   A65        2.19674   0.00038   0.00358  -0.00625  -0.00269   2.19406
   A66        2.19864  -0.00118  -0.00343   0.00292  -0.00052   2.19811
   A67        1.88721   0.00081   0.00001   0.00338   0.00342   1.89063
   A68        2.17080   0.00389   0.01114  -0.00467   0.00646   2.17726
   A69        2.22518  -0.00420  -0.01044   0.00286  -0.00759   2.21759
   A70        1.88690   0.00031  -0.00082   0.00198   0.00119   1.88809
   A71        2.19384   0.00036  -0.00090   0.00350   0.00259   2.19643
   A72        2.20159  -0.00109   0.00024  -0.00495  -0.00472   2.19687
   A73        1.88713   0.00073   0.00056   0.00155   0.00215   1.88928
   A74        1.90069  -0.00082  -0.00112  -0.00008  -0.00119   1.89950
   A75        2.25798   0.00147   0.00135  -0.00078   0.00053   2.25852
   A76        2.12163  -0.00063  -0.00003   0.00129   0.00127   2.12290
   A77        1.86878   0.00006   0.00104  -0.00053   0.00052   1.86930
   A78        2.09051  -0.00007  -0.00129  -0.00081  -0.00209   2.08842
   A79        2.32319   0.00002   0.00013   0.00162   0.00172   2.32491
   A80        1.87129  -0.00021  -0.00013  -0.00109  -0.00121   1.87008
   A81        2.31757   0.00090   0.00201   0.00227   0.00425   2.32183
   A82        2.09348  -0.00067  -0.00158  -0.00102  -0.00260   2.09088
   A83        1.89708   0.00067   0.00089  -0.00021   0.00069   1.89777
   A84        2.27069  -0.00167  -0.00262  -0.00093  -0.00356   2.26712
   A85        2.11259   0.00102   0.00156   0.00201   0.00353   2.11612
   A86        1.90243  -0.00058  -0.00140  -0.00073  -0.00212   1.90031
   A87        2.26057   0.00010   0.00012  -0.00187  -0.00177   2.25880
   A88        2.11801   0.00050   0.00163   0.00292   0.00455   2.12256
   A89        1.86707  -0.00011   0.00123  -0.00128  -0.00004   1.86703
   A90        2.09061  -0.00049  -0.00288  -0.00059  -0.00348   2.08713
   A91        2.32548   0.00060   0.00164   0.00190   0.00352   2.32900
   A92        1.86836  -0.00040  -0.00027  -0.00045  -0.00072   1.86764
   A93        2.32340   0.00093   0.00072   0.00355   0.00421   2.32761
   A94        2.09076  -0.00052  -0.00038  -0.00284  -0.00321   2.08755
   A95        1.89964   0.00028   0.00047  -0.00095  -0.00050   1.89914
   A96        2.26512  -0.00087  -0.00058  -0.00131  -0.00199   2.26313
   A97        2.11481   0.00064   0.00056   0.00339   0.00393   2.11874
   A98        1.89928  -0.00017  -0.00057   0.00016  -0.00045   1.89882
   A99        2.26191  -0.00014  -0.00219   0.00055  -0.00178   2.26013
   A100       2.11766   0.00037   0.00359   0.00061   0.00417   2.12183
   A101       1.86959  -0.00027  -0.00035  -0.00055  -0.00089   1.86870
   A102       2.09076  -0.00031  -0.00151  -0.00131  -0.00271   2.08805
   A103       2.32257   0.00057   0.00164   0.00202   0.00359   2.32616
   A104       1.86874  -0.00025   0.00130  -0.00215  -0.00085   1.86789
   A105       2.32270   0.00074   0.00103   0.00352   0.00451   2.32721
   A106       2.09170  -0.00048  -0.00230  -0.00129  -0.00363   2.08807
   A107       1.90003  -0.00004  -0.00094   0.00098   0.00004   1.90007
   A108       2.26770  -0.00055  -0.00116  -0.00352  -0.00469   2.26301
   A109       2.11380   0.00061   0.00227   0.00290   0.00514   2.11894
   A110       2.07970  -0.00009  -0.00019  -0.00030  -0.00046   2.07924
   A111       2.09960  -0.00005  -0.00125   0.00197   0.00070   2.10030
   A112       2.10389   0.00014   0.00143  -0.00167  -0.00025   2.10364
   A113       2.10034   0.00032   0.00167   0.00015   0.00185   2.10218
   A114       2.09320  -0.00008  -0.00004  -0.00109  -0.00111   2.09209
   A115       2.08962  -0.00025  -0.00177   0.00100  -0.00075   2.08887
   A116       2.12164  -0.00047  -0.00216   0.00069  -0.00149   2.12015
   A117       2.08708   0.00025   0.00204  -0.00196   0.00009   2.08717
   A118       2.07446   0.00022   0.00012   0.00127   0.00141   2.07586
   A119       2.05806  -0.00011   0.00058  -0.00156  -0.00086   2.05720
   A120       2.12871  -0.00048  -0.00300  -0.00174  -0.00456   2.12414
   A121       2.09633   0.00059   0.00215   0.00317   0.00550   2.10183
   A122       2.05178   0.00032   0.00057  -0.00034   0.00026   2.05203
   A123       2.12570   0.00006   0.00103  -0.00297  -0.00196   2.12373
   A124       2.10525  -0.00038  -0.00158   0.00349   0.00188   2.10713
   A125       2.12131   0.00009  -0.00039  -0.00020  -0.00056   2.12075
   A126       2.07445   0.00010   0.00401  -0.00302   0.00098   2.07542
   A127       2.08740  -0.00019  -0.00362   0.00318  -0.00045   2.08695
   A128       2.10311   0.00009   0.00007   0.00068   0.00084   2.10396
   A129       2.08809  -0.00008   0.00040  -0.00121  -0.00077   2.08732
   A130       2.09184  -0.00002  -0.00088   0.00078  -0.00005   2.09179
   A131       2.07708   0.00020   0.00074  -0.00030   0.00046   2.07755
   A132       2.10116  -0.00009  -0.00198   0.00183  -0.00016   2.10100
   A133       2.10493  -0.00012   0.00122  -0.00154  -0.00033   2.10460
   A134       2.08007   0.00002   0.00001   0.00034   0.00042   2.08049
   A135       2.09933  -0.00001  -0.00178   0.00127  -0.00047   2.09886
   A136       2.10366  -0.00001   0.00182  -0.00175   0.00011   2.10377
   A137       2.10153   0.00015  -0.00018   0.00148   0.00129   2.10282
   A138       2.09238   0.00000   0.00317  -0.00333  -0.00015   2.09224
   A139       2.08918  -0.00015  -0.00308   0.00196  -0.00111   2.08807
   A140       2.12018  -0.00009   0.00043  -0.00076  -0.00030   2.11988
   A141       2.08617  -0.00004  -0.00115   0.00028  -0.00082   2.08535
   A142       2.07682   0.00013   0.00049   0.00052   0.00107   2.07789
   A143       2.05786  -0.00018  -0.00063  -0.00111  -0.00168   2.05618
   A144       2.11996  -0.00026  -0.00051  -0.00101  -0.00148   2.11848
   A145       2.10493   0.00045   0.00139   0.00199   0.00343   2.10835
   A146       2.05414  -0.00017   0.00068  -0.00212  -0.00144   2.05271
   A147       2.12392  -0.00012  -0.00383   0.00206  -0.00178   2.12215
   A148       2.10483   0.00030   0.00309   0.00029   0.00337   2.10820
   A149       2.12149  -0.00012  -0.00164   0.00070  -0.00092   2.12057
   A150       2.07607   0.00002  -0.00259   0.00293   0.00033   2.07640
   A151       2.08553   0.00010   0.00428  -0.00363   0.00065   2.08617
   A152       2.10227   0.00030   0.00143   0.00064   0.00209   2.10435
   A153       2.08821  -0.00019  -0.00071   0.00040  -0.00032   2.08789
   A154       2.09271  -0.00012  -0.00074  -0.00104  -0.00179   2.09092
   A155       2.07808   0.00001   0.00131  -0.00114   0.00017   2.07825
   A156       2.10016   0.00000   0.00107  -0.00047   0.00058   2.10074
   A157       2.10472  -0.00001  -0.00248   0.00190  -0.00060   2.10413
   A158       2.07958   0.00004   0.00069  -0.00048   0.00020   2.07978
   A159       2.09983  -0.00008  -0.00280   0.00298   0.00020   2.10002
   A160       2.10344   0.00004   0.00228  -0.00244  -0.00014   2.10330
   A161       2.10141   0.00017   0.00073   0.00091   0.00167   2.10307
   A162       2.09303  -0.00007  -0.00184   0.00068  -0.00108   2.09195
   A163       2.08868  -0.00010   0.00109  -0.00170  -0.00054   2.08814
   A164       2.12032  -0.00014  -0.00046  -0.00023  -0.00071   2.11961
   A165       2.08657   0.00000  -0.00131   0.00148   0.00021   2.08678
   A166       2.07622   0.00014   0.00180  -0.00130   0.00055   2.07677
   A167       2.05785  -0.00017  -0.00059  -0.00117  -0.00179   2.05606
   A168       2.12483  -0.00024  -0.00106  -0.00218  -0.00322   2.12162
   A169       2.10028   0.00042   0.00173   0.00336   0.00510   2.10539
   A170       2.05429  -0.00008  -0.00252   0.00086  -0.00157   2.05272
   A171       2.12684  -0.00025  -0.00124  -0.00116  -0.00234   2.12450
   A172       2.10192   0.00033   0.00380   0.00008   0.00394   2.10586
   A173       2.12195  -0.00019  -0.00103   0.00015  -0.00083   2.12112
   A174       2.07473   0.00011  -0.00051   0.00194   0.00144   2.07617
   A175       2.08650   0.00008   0.00144  -0.00208  -0.00063   2.08587
   A176       2.10146   0.00037   0.00235  -0.00013   0.00232   2.10378
   A177       2.08835  -0.00017  -0.00118  -0.00017  -0.00137   2.08698
   A178       2.09330  -0.00019  -0.00135   0.00045  -0.00092   2.09238
   A179       2.07854  -0.00013  -0.00146   0.00071  -0.00043   2.07811
   A180       2.10039  -0.00000  -0.00164   0.00218   0.00067   2.10105
   A181       2.10409   0.00014   0.00299  -0.00323  -0.00012   2.10397
   A182       1.98153  -0.01124  -0.02866   0.00418  -0.02472   1.95681
   A183       1.79851  -0.01233   0.01155  -0.05109  -0.03985   1.75865
   A184       1.79663   0.01783   0.00968   0.02337   0.03354   1.83017
   A185       2.06667   0.00647   0.00428   0.00840   0.01168   2.07836
   A186       1.94902  -0.00615  -0.00025  -0.00320  -0.00343   1.94558
   A187       1.84523   0.00788   0.00598   0.01919   0.02565   1.87088
   A188       2.11702  -0.02788  -0.00206  -0.04634  -0.04839   2.06863
   A189       2.27417   0.00908   0.00426   0.01254   0.01679   2.29097
   A190       1.87477   0.00549  -0.00173   0.00770   0.00615   1.88092
   A191       1.93698  -0.02347  -0.03619  -0.03007  -0.06615   1.87083
   A192       1.82789   0.00864   0.01455   0.00519   0.01966   1.84755
   A193       1.93247   0.00803   0.00930   0.01476   0.02411   1.95658
   A194       1.98026  -0.00550  -0.00144  -0.00214  -0.00375   1.97651
   A195       1.90889   0.00561   0.01319   0.00255   0.01559   1.92448
   A196       1.90209  -0.00016  -0.00464   0.00408  -0.00054   1.90155
   A197       1.94593   0.00021   0.00064  -0.00099  -0.00034   1.94558
   A198       1.90768   0.00113  -0.00170   0.00445   0.00277   1.91045
   A199       1.88777   0.00004  -0.00150   0.00101  -0.00048   1.88728
   A200       1.89905  -0.00049  -0.00288   0.00065  -0.00220   1.89686
   A201       1.92060  -0.00077   0.00975  -0.00909   0.00067   1.92128
   A202       1.87735  -0.00061   0.00230  -0.00172   0.00059   1.87794
   A203       1.90368   0.00041  -0.00214   0.00355   0.00142   1.90511
   A204       1.89685   0.00047   0.00020   0.00336   0.00355   1.90040
   A205       1.93726  -0.00024   0.00388  -0.00606  -0.00218   1.93508
   A206       1.94441  -0.00024  -0.00161  -0.00150  -0.00311   1.94130
   A207       1.90338   0.00024  -0.00267   0.00263  -0.00005   1.90333
   A208       1.92018  -0.00012  -0.00638   0.00463  -0.00175   1.91843
   A209       1.91922   0.00003  -0.00015   0.00148   0.00134   1.92056
   A210       1.94685   0.00005   0.00371  -0.00456  -0.00084   1.94601
   A211       1.88879   0.00011   0.00280  -0.00094   0.00186   1.89065
   A212       1.89276  -0.00002  -0.00447   0.00297  -0.00150   1.89126
   A213       1.89481  -0.00005   0.00451  -0.00357   0.00096   1.89577
   A214       2.19273  -0.03028  -0.04149   0.00171  -0.03978   2.15295
    D1       -0.01323   0.00006  -0.00159   0.00675   0.00515  -0.00807
    D2        3.07545   0.00052   0.02399   0.00524   0.02926   3.10471
    D3        3.11558   0.00013   0.00076   0.00780   0.00857   3.12415
    D4       -0.07893   0.00058   0.02635   0.00629   0.03268  -0.04625
    D5        0.02342  -0.00055  -0.01521  -0.00274  -0.01796   0.00547
    D6        3.12898  -0.00001   0.00214  -0.00345  -0.00128   3.12770
    D7       -3.10538  -0.00060  -0.01754  -0.00386  -0.02139  -3.12677
    D8        0.00017  -0.00006  -0.00019  -0.00456  -0.00471  -0.00454
    D9        2.33297  -0.00118  -0.02282  -0.02988  -0.05269   2.28028
   D10       -0.85022  -0.00086  -0.01643  -0.02793  -0.04437  -0.89460
   D11       -0.82152  -0.00111  -0.02044  -0.02876  -0.04919  -0.87072
   D12        2.27848  -0.00079  -0.01405  -0.02681  -0.04088   2.23760
   D13       -0.01169   0.00064   0.02172  -0.00349   0.01819   0.00650
   D14       -3.06689  -0.00063   0.00584   0.00217   0.00802  -3.05886
   D15       -3.09881   0.00019  -0.00460  -0.00202  -0.00661  -3.10542
   D16        0.12918  -0.00108  -0.02048   0.00365  -0.01678   0.11240
   D17        0.02647  -0.00084  -0.02524  -0.00362  -0.02887  -0.00240
   D18        3.13148  -0.00024  -0.00964  -0.00650  -0.01605   3.11543
   D19        3.08514   0.00032  -0.01009  -0.00918  -0.01933   3.06581
   D20       -0.09303   0.00092   0.00551  -0.01206  -0.00651  -0.09954
   D21        3.11847   0.00121   0.00936   0.01950   0.02892  -3.13579
   D22        0.01842   0.00054  -0.00091   0.02972   0.02889   0.04731
   D23        0.06333  -0.00001  -0.00654   0.02536   0.01889   0.08222
   D24       -3.03673  -0.00068  -0.01680   0.03557   0.01886  -3.01787
   D25       -0.01665   0.00036   0.00895   0.00763   0.01661  -0.00004
   D26        3.12357   0.00041   0.00595   0.00456   0.01055   3.13412
   D27       -3.12215  -0.00015  -0.00642   0.01048   0.00401  -3.11814
   D28        0.01807  -0.00010  -0.00942   0.00741  -0.00205   0.01602
   D29       -0.10634   0.00068   0.00473  -0.01522  -0.01053  -0.11687
   D30        3.02325  -0.00039   0.00132  -0.02325  -0.02213   3.00112
   D31        2.99880   0.00123   0.02026  -0.01799   0.00228   3.00108
   D32       -0.15479   0.00016   0.01685  -0.02602  -0.00932  -0.16412
   D33       -0.00861   0.00037   0.01155  -0.00440   0.00714  -0.00146
   D34       -3.11407  -0.00016  -0.00581  -0.00370  -0.00947  -3.12354
   D35        3.13439   0.00032   0.01464  -0.00126   0.01336  -3.13544
   D36        0.02893  -0.00021  -0.00272  -0.00057  -0.00326   0.02567
   D37        0.16809  -0.00177  -0.00260  -0.01097  -0.01363   0.15446
   D38       -2.89516  -0.00287  -0.02683  -0.00277  -0.02966  -2.92482
   D39       -3.01411  -0.00095   0.00758  -0.02100  -0.01337  -3.02747
   D40        0.20583  -0.00205  -0.01665  -0.01280  -0.02940   0.17644
   D41        3.00668   0.00198   0.01196  -0.00648   0.00545   3.01213
   D42       -0.16882   0.00162   0.01263   0.00243   0.01507  -0.15375
   D43       -0.09401   0.00127   0.00180   0.00361   0.00535  -0.08867
   D44        3.01368   0.00092   0.00246   0.01252   0.01497   3.02864
   D45       -0.36233   0.00105   0.01031  -0.01619  -0.00601  -0.36834
   D46        2.84466   0.00129   0.01191   0.01363   0.02530   2.86996
   D47        2.69681   0.00281   0.03617  -0.02459   0.01165   2.70846
   D48       -0.37939   0.00304   0.03777   0.00523   0.04296  -0.33643
   D49       -0.15900   0.00194   0.01976   0.01151   0.03123  -0.12777
   D50        2.91760   0.00265   0.04040   0.00302   0.04358   2.96118
   D51        3.06317   0.00051  -0.00529   0.01993   0.01451   3.07768
   D52       -0.14342   0.00122   0.01534   0.01144   0.02686  -0.11656
   D53        0.33179  -0.00091  -0.01172   0.02922   0.01768   0.34947
   D54       -2.79706   0.00011  -0.00837   0.03779   0.02972  -2.76734
   D55       -2.87037  -0.00207  -0.01485   0.00218  -0.01280  -2.88317
   D56        0.28396  -0.00105  -0.01150   0.01074  -0.00076   0.28320
   D57        2.82233   0.00190   0.01228  -0.00376   0.00870   2.83103
   D58       -0.72269   0.00469   0.02351  -0.05366  -0.02960  -0.75228
   D59       -0.25392   0.00220   0.01412   0.02586   0.04005  -0.21387
   D60        2.48425   0.00499   0.02536  -0.02404   0.00175   2.48600
   D61        3.04224   0.00108   0.00536  -0.01465  -0.00898   3.03326
   D62       -0.11182  -0.00001   0.00191  -0.02305  -0.02102  -0.13283
   D63       -0.07420   0.00075   0.01178   0.00797   0.01975  -0.05444
   D64        3.10176   0.00033   0.01130   0.00237   0.01371   3.11547
   D65        3.10081   0.00109   0.01104  -0.00081   0.01021   3.11102
   D66       -0.00642   0.00067   0.01056  -0.00641   0.00417  -0.00225
   D67        0.12593  -0.00094  -0.00883  -0.00978  -0.01857   0.10736
   D68       -2.99588  -0.00098  -0.00470  -0.01326  -0.01792  -3.01380
   D69       -3.04924  -0.00064  -0.00866  -0.00422  -0.01284  -3.06209
   D70        0.11213  -0.00069  -0.00453  -0.00771  -0.01219   0.09994
   D71       -2.38815   0.00076   0.01306   0.00643   0.01946  -2.36869
   D72        0.72360   0.00065   0.00781   0.01489   0.02268   0.74628
   D73        0.78801   0.00035   0.01264   0.00067   0.01332   0.80133
   D74       -2.38343   0.00024   0.00740   0.00913   0.01655  -2.36688
   D75       -0.00754  -0.00080  -0.00750  -0.00005  -0.00758  -0.01512
   D76       -3.08524  -0.00137  -0.02742   0.00786  -0.01943  -3.10467
   D77        3.11417  -0.00076  -0.01167   0.00342  -0.00829   3.10588
   D78        0.03647  -0.00132  -0.03160   0.01134  -0.02014   0.01633
   D79        0.08232  -0.00379  -0.01004  -0.04780  -0.05798   0.02435
   D80       -3.00604  -0.00420  -0.01506  -0.04113  -0.05647  -3.06251
   D81       -2.65958   0.00590  -0.00524  -0.00176  -0.00630  -2.66588
   D82        0.53524   0.00549  -0.01027   0.00490  -0.00479   0.53045
   D83       -0.13741  -0.00045  -0.01021   0.05572   0.04588  -0.09152
   D84       -2.39445   0.00797  -0.00550   0.08074   0.07442  -2.32003
   D85        1.97244  -0.00234  -0.01936   0.06912   0.04978   2.02222
   D86        2.59875  -0.00289  -0.00866   0.01178   0.00377   2.60251
   D87        0.34170   0.00554  -0.00396   0.03680   0.03231   0.37401
   D88       -1.57460  -0.00477  -0.01781   0.02517   0.00767  -1.56693
   D89        0.09370   0.00140  -0.00211   0.03879   0.03666   0.13036
   D90       -3.08663   0.00092   0.00371   0.02787   0.03149  -3.05514
   D91       -3.09768   0.00200   0.00272   0.03218   0.03502  -3.06266
   D92        0.00518   0.00152   0.00854   0.02127   0.02985   0.03503
   D93        3.09786  -0.00109  -0.02338  -0.00385  -0.02723   3.07063
   D94       -0.10358  -0.00054   0.01220  -0.02852  -0.01634  -0.11993
   D95        0.00872  -0.00133  -0.02823   0.00278  -0.02554  -0.01682
   D96        3.09046  -0.00079   0.00736  -0.02190  -0.01465   3.07581
   D97       -0.07822   0.00090   0.00630  -0.00235   0.00394  -0.07428
   D98        3.10087   0.00137   0.00060   0.00842   0.00908   3.10995
   D99       -0.01516  -0.00069   0.01430  -0.02941  -0.01509  -0.03026
   D100       3.11065  -0.00013   0.00273   0.00329   0.00603   3.11668
   D101       3.08951  -0.00112   0.01995  -0.04000  -0.02007   3.06944
   D102      -0.06786  -0.00055   0.00838  -0.00730   0.00105  -0.06681
   D103      -0.01321   0.00030   0.02596  -0.01961   0.00632  -0.00689
   D104       3.07787   0.00090   0.03317  -0.00927   0.02392   3.10179
   D105      -3.09699  -0.00027  -0.00841   0.00442  -0.00408  -3.10107
   D106      -0.00592   0.00032  -0.00119   0.01475   0.01352   0.00760
   D107       0.00323   0.00057  -0.00249   0.01185   0.00936   0.01259
   D108       3.12149   0.00028  -0.00789   0.00848   0.00059   3.12209
   D109      -3.08758  -0.00005  -0.00992   0.00143  -0.00851  -3.09609
   D110       0.03068  -0.00035  -0.01533  -0.00194  -0.01728   0.01341
   D111       0.01082  -0.00036  -0.01735   0.01256  -0.00476   0.00606
   D112      -3.11420  -0.00096  -0.00502  -0.02190  -0.02694  -3.14114
   D113      -3.10717  -0.00005  -0.01185   0.01604   0.00423  -3.10294
   D114       0.05100  -0.00065   0.00048  -0.01842  -0.01795   0.03305
   D115      -2.36898   0.00111   0.02646   0.02441   0.05086  -2.31812
   D116       0.81499   0.00105   0.02949   0.02084   0.05030   0.86530
   D117       0.74848   0.00081   0.02087   0.02098   0.04187   0.79035
   D118      -2.35073   0.00076   0.02389   0.01741   0.04131  -2.30942
   D119       3.11739   0.00002  -0.00151   0.00486   0.00331   3.12070
   D120      -0.09553   0.00040   0.00485   0.01034   0.01516  -0.08037
   D121       0.01121  -0.00022  -0.00689   0.00316  -0.00372   0.00749
   D122       3.08148   0.00017  -0.00052   0.00864   0.00812   3.08960
   D123      -3.11524  -0.00007  -0.00064  -0.00275  -0.00343  -3.11866
   D124      -0.06576   0.00054   0.00550   0.01182   0.01726  -0.04850
   D125      -0.00911   0.00021   0.00487  -0.00129   0.00358  -0.00554
   D126       3.04037   0.00081   0.01102   0.01328   0.02426   3.06463
   D127       3.12459   0.00008   0.00301  -0.00108   0.00202   3.12661
   D128       0.06489  -0.00009   0.00008  -0.00741  -0.00725   0.05764
   D129       0.00791   0.00025   0.00764  -0.00818  -0.00053   0.00738
   D130      -3.05179   0.00008   0.00470  -0.01451  -0.00980  -3.06160
   D131      -3.12489  -0.00023  -0.00322   0.00056  -0.00259  -3.12747
   D132       0.09856  -0.00056  -0.00097  -0.01213  -0.01300   0.08557
   D133      -0.00921  -0.00026  -0.00750   0.00780   0.00031  -0.00890
   D134      -3.06895  -0.00059  -0.00525  -0.00488  -0.01010  -3.07905
   D135      -3.10706  -0.00017   0.00092  -0.00466  -0.00373  -3.11079
   D136       0.13529  -0.00086  -0.00983  -0.01991  -0.02973   0.10556
   D137      -0.00148  -0.00015  -0.00165  -0.00177  -0.00340  -0.00488
   D138      -3.04231  -0.00085  -0.01240  -0.01702  -0.02940  -3.07171
   D139       3.10426   0.00021   0.00108   0.00404   0.00512   3.10938
   D140       0.02525  -0.00012  -0.00237  -0.00277  -0.00514   0.02011
   D141      -0.00112   0.00016   0.00369   0.00092   0.00460   0.00348
   D142      -3.08013  -0.00017   0.00025  -0.00589  -0.00565  -3.08579
   D143      -0.00358  -0.00015  -0.00483   0.00537   0.00054  -0.00304
   D144      -3.10972  -0.00023  -0.00208  -0.00141  -0.00349  -3.11321
   D145       3.06374   0.00013  -0.00209   0.01100   0.00892   3.07266
   D146      -0.04241   0.00004   0.00065   0.00422   0.00490  -0.03751
   D147       3.09582   0.00013  -0.00012   0.00507   0.00496   3.10078
   D148      -0.01327   0.00002  -0.00078  -0.00105  -0.00181  -0.01508
   D149       0.04518  -0.00007  -0.00335  -0.00189  -0.00525   0.03993
   D150      -3.06392  -0.00018  -0.00401  -0.00801  -0.01202  -3.07594
   D151      -0.00206  -0.00000   0.00022  -0.00055  -0.00033  -0.00239
   D152       3.09405   0.00034   0.01010   0.00357   0.01368   3.10773
   D153       3.09738   0.00009  -0.00309   0.00743   0.00435   3.10174
   D154      -0.08969   0.00043   0.00679   0.01155   0.01836  -0.07133
   D155       0.00974  -0.00001  -0.00592   0.00401  -0.00193   0.00781
   D156      -3.13770  -0.00012  -0.00903   0.00344  -0.00561   3.13988
   D157      -3.08543  -0.00012  -0.00233  -0.00480  -0.00714  -3.09257
   D158       0.05032  -0.00023  -0.00544  -0.00537  -0.01083   0.03949
   D159       0.00694   0.00016   0.00449  -0.00446   0.00001   0.00695
   D160       3.07547   0.00031   0.00224   0.00671   0.00897   3.08444
   D161      -3.09613  -0.00017  -0.00394  -0.00806  -0.01200  -3.10813
   D162      -0.02760  -0.00003  -0.00619   0.00311  -0.00304  -0.03064
   D163      -3.09040  -0.00033  -0.00462  -0.00850  -0.01314  -3.10355
   D164       0.05256  -0.00041  -0.01005  -0.00613  -0.01621   0.03635
   D165       0.00104   0.00006   0.00630  -0.00394   0.00234   0.00338
   D166      -3.13918  -0.00002   0.00086  -0.00157  -0.00072  -3.13990
   D167       3.08796   0.00027  -0.00542   0.01676   0.01132   3.09928
   D168      -0.06774   0.00064   0.02276   0.00611   0.02889  -0.03885
   D169       0.03688  -0.00007  -0.00287   0.00284  -0.00004   0.03684
   D170      -3.11882   0.00031   0.02531  -0.00780   0.01753  -3.10129
   D171      -0.00890   0.00014   0.00617  -0.00373   0.00243  -0.00647
   D172       3.13956  -0.00019  -0.00289  -0.00795  -0.01083   3.12873
   D173      -3.08607  -0.00019   0.00047  -0.00846  -0.00804  -3.09411
   D174       0.06238  -0.00052  -0.00859  -0.01269  -0.02130   0.04108
   D175      -3.12262   0.00011   0.00851  -0.00208   0.00642  -3.11620
   D176      -0.00670   0.00027   0.00635   0.00820   0.01452   0.00782
   D177      -0.06001   0.00049   0.01547   0.00383   0.01931  -0.04070
   D178       3.05591   0.00066   0.01330   0.01411   0.02741   3.08332
   D179       0.00324  -0.00001  -0.00312   0.00290  -0.00021   0.00303
   D180      -3.09768  -0.00025  -0.00523  -0.00491  -0.01017  -3.10785
   D181       3.13665   0.00038   0.00770   0.00792   0.01563  -3.13090
   D182       0.03574   0.00014   0.00560   0.00010   0.00567   0.04141
   D183      -0.02171   0.00020  -0.00453   0.01359   0.00904  -0.01267
   D184      -3.14095   0.00001   0.00004  -0.00102  -0.00101   3.14123
   D185       3.12889  -0.00023  -0.01644   0.00807  -0.00840   3.12050
   D186       0.00966  -0.00042  -0.01187  -0.00655  -0.01845  -0.00879
   D187       0.00358  -0.00013  -0.00105  -0.00103  -0.00207   0.00151
   D188      -3.05531  -0.00058  -0.00650  -0.01384  -0.02038  -3.07568
   D189       3.11096   0.00011   0.00075   0.00571   0.00645   3.11741
   D190       0.05207  -0.00034  -0.00471  -0.00710  -0.01185   0.04022
   D191       3.07405   0.00050   0.01607   0.00099   0.01709   3.09114
   D192      -0.05083   0.00031   0.00189   0.01025   0.01214  -0.03869
   D193      -0.02273   0.00023   0.01374  -0.00769   0.00606  -0.01667
   D194       3.13558   0.00004  -0.00043   0.00158   0.00111   3.13669
   D195      -3.08226  -0.00046  -0.01490   0.00034  -0.01454  -3.09680
   D196       0.02755  -0.00007   0.00215  -0.00457  -0.00241   0.02514
   D197      -0.04258   0.00018  -0.00811   0.01623   0.00815  -0.03443
   D198       3.06723   0.00057   0.00894   0.01132   0.02028   3.08751
   D199       0.00342   0.00008  -0.00098   0.00191   0.00092   0.00434
   D200      -3.11655   0.00005   0.00602  -0.00484   0.00117  -3.11538
   D201       3.05415   0.00068   0.00842   0.01566   0.02408   3.07823
   D202      -0.06582   0.00065   0.01542   0.00891   0.02433  -0.04149
   D203       3.08420   0.00033   0.01907  -0.00785   0.01120   3.09540
   D204      -0.03976   0.00014   0.00233   0.00635   0.00864  -0.03112
   D205       0.05430  -0.00041   0.00735  -0.02473  -0.01741   0.03690
   D206      -3.06966  -0.00060  -0.00938  -0.01053  -0.01997  -3.08963
   D207      -0.00405   0.00002   0.00320  -0.00132   0.00187  -0.00218
   D208      -3.13482  -0.00036  -0.00374  -0.01086  -0.01462   3.13374
   D209       3.11186   0.00004  -0.00522   0.00664   0.00145   3.11331
   D210      -0.01891  -0.00033  -0.01216  -0.00291  -0.01505  -0.03396
   D211       0.03270  -0.00049  -0.03396   0.01762  -0.01638   0.01632
   D212      -3.12838  -0.00019  -0.00637  -0.00197  -0.00830  -3.13667
   D213      -3.08061  -0.00052  -0.02473   0.00884  -0.01595  -3.09656
   D214       0.04150  -0.00023   0.00286  -0.01075  -0.00787   0.03364
   D215       0.00320  -0.00011  -0.00426   0.00025  -0.00399  -0.00079
   D216       3.08875   0.00014  -0.00129   0.00609   0.00486   3.09362
   D217       3.13568   0.00021   0.00158   0.00833   0.00987  -3.13763
   D218      -0.06195   0.00046   0.00455   0.01416   0.01872  -0.04323
   D219      -3.13095   0.00024   0.01096   0.00046   0.01145  -3.11951
   D220      -0.01725   0.00056   0.02268   0.00272   0.02546   0.00821
   D221       0.02257  -0.00017   0.00332  -0.01006  -0.00672   0.01584
   D222       3.13627   0.00015   0.01503  -0.00779   0.00729  -3.13963
   D223       3.13059  -0.00009  -0.00273  -0.00369  -0.00641   3.12417
   D224       0.01168  -0.00025  -0.00783  -0.00430  -0.01211  -0.00044
   D225       0.05817  -0.00043  -0.00643  -0.01113  -0.01757   0.04060
   D226      -3.06074  -0.00058  -0.01153  -0.01174  -0.02327  -3.08401
   D227       0.01492  -0.00001   0.00257  -0.00123   0.00133   0.01624
   D228      -3.13403  -0.00002  -0.00763   0.00720  -0.00042  -3.13445
   D229      -3.12805   0.00007   0.00803  -0.00361   0.00439  -3.12366
   D230       0.00619   0.00006  -0.00217   0.00482   0.00264   0.00883
   D231      -0.00498  -0.00010  -0.01201   0.00745  -0.00455  -0.00953
   D232       3.13812  -0.00009  -0.01274   0.00786  -0.00486   3.13326
   D233      -3.13923  -0.00008  -0.00185  -0.00095  -0.00280   3.14115
   D234       0.00386  -0.00008  -0.00258  -0.00054  -0.00311   0.00076
   D235      -0.02082   0.00015   0.01196  -0.00809   0.00388  -0.01694
   D236       3.13460  -0.00021  -0.01578   0.00239  -0.01337   3.12123
   D237       3.11927   0.00014   0.01268  -0.00850   0.00418   3.12346
   D238      -0.00849  -0.00022  -0.01506   0.00198  -0.01307  -0.02155
   D239      -0.01687   0.00008   0.01159  -0.00869   0.00290  -0.01397
   D240       3.13241   0.00016   0.01118  -0.00415   0.00703   3.13943
   D241       3.09263   0.00020   0.01229  -0.00277   0.00953   3.10216
   D242      -0.04128   0.00027   0.01189   0.00177   0.01366  -0.02763
   D243      -0.01458  -0.00009  -0.01729   0.01718  -0.00010  -0.01468
   D244      -3.13848  -0.00003  -0.00207   0.00073  -0.00136  -3.13984
   D245       3.11928  -0.00016  -0.01685   0.01259  -0.00425   3.11503
   D246      -0.00462  -0.00011  -0.00163  -0.00387  -0.00551  -0.01013
   D247       0.01798   0.00005   0.01406  -0.01447  -0.00041   0.01757
   D248      -3.11776   0.00016   0.01721  -0.01391   0.00328  -3.11447
   D249      -3.14134  -0.00001  -0.00115   0.00200   0.00084  -3.14050
   D250       0.00611   0.00010   0.00199   0.00256   0.00454   0.01064
   D251      -0.01402   0.00004  -0.00995   0.01302   0.00307  -0.01094
   D252      -3.14116  -0.00007  -0.00436   0.00394  -0.00043  -3.14158
   D253       3.11082   0.00023   0.00428   0.00377   0.00803   3.11885
   D254      -0.01632   0.00013   0.00988  -0.00531   0.00453  -0.01179
   D255       0.02329  -0.00018  -0.00316  -0.00358  -0.00675   0.01653
   D256      -3.11266  -0.00008   0.01133  -0.01224  -0.00090  -3.11357
   D257      -3.13273  -0.00008  -0.00866   0.00544  -0.00325  -3.13599
   D258       0.01450   0.00003   0.00583  -0.00322   0.00260   0.01710
   D259       0.00518   0.00006   0.01206  -0.01104   0.00102   0.00621
   D260      -3.10491  -0.00031  -0.00484  -0.00611  -0.01094  -3.11585
   D261       3.14116  -0.00004  -0.00238  -0.00243  -0.00481   3.13635
   D262       0.03107  -0.00041  -0.01928   0.00250  -0.01677   0.01430
   D263       0.01910  -0.00017  -0.00981   0.00397  -0.00582   0.01328
   D264      -3.13774  -0.00005  -0.00498   0.00433  -0.00063  -3.13837
   D265      -3.09712  -0.00033  -0.00755  -0.00622  -0.01378  -3.11089
   D266       0.02923  -0.00021  -0.00271  -0.00586  -0.00859   0.02065
   D267       0.02005  -0.00015  -0.00300  -0.00302  -0.00603   0.01403
   D268      -3.12476  -0.00024  -0.00597  -0.00378  -0.00977  -3.13453
   D269      -3.10622  -0.00028  -0.00783  -0.00343  -0.01124  -3.11746
   D270       0.03215  -0.00036  -0.01080  -0.00419  -0.01499   0.01716
   D271      -0.01842   0.00014   0.01023  -0.00589   0.00432  -0.01410
   D272       3.10075   0.00033   0.00571   0.00873   0.01441   3.11516
   D273       3.12640   0.00023   0.01321  -0.00514   0.00807   3.13447
   D274      -0.03761   0.00041   0.00869   0.00949   0.01816  -0.01945
   D275       0.01802  -0.00015  -0.00911   0.00331  -0.00578   0.01224
   D276      -3.13592  -0.00001   0.00701  -0.00681   0.00022  -3.13570
   D277      -3.09562  -0.00048  -0.02083   0.00094  -0.01983  -3.11545
   D278       0.03362  -0.00033  -0.00470  -0.00917  -0.01382   0.01980
   D279      -0.02119   0.00018   0.00721  -0.00050   0.00671  -0.01448
   D280       3.10705   0.00033   0.01820  -0.00533   0.01286   3.11992
   D281       3.13273   0.00003  -0.00890   0.00958   0.00072   3.13345
   D282      -0.02222   0.00018   0.00209   0.00474   0.00687  -0.01534
   D283      -0.01697   0.00013   0.00070   0.00438   0.00506  -0.01191
   D284       3.10227   0.00028   0.00571   0.00490   0.01059   3.11287
   D285       3.13790  -0.00002  -0.01023   0.00916  -0.00105   3.13685
   D286      -0.02605   0.00012  -0.00523   0.00969   0.00448  -0.02157
   D287      -0.01168   0.00003  -0.01147   0.01473   0.00326  -0.00842
   D288       3.13264   0.00010  -0.00067   0.00815   0.00750   3.14015
   D289       3.11255   0.00021   0.00505   0.00073   0.00572   3.11827
   D290      -0.02632   0.00028   0.01584  -0.00584   0.00997  -0.01635
   D291      -0.01997   0.00012  -0.00723   0.01146   0.00423  -0.01574
   D292       3.13484   0.00002   0.00269  -0.00182   0.00088   3.13571
   D293       3.11887   0.00006  -0.01812   0.01809  -0.00004   3.11884
   D294      -0.00950  -0.00005  -0.00820   0.00481  -0.00339  -0.01289
   D295       0.00904   0.00010   0.03010  -0.02765   0.00243   0.01148
   D296      -3.11302  -0.00019   0.00237  -0.00808  -0.00567  -3.11870
   D297       3.13738   0.00020   0.02015  -0.01434   0.00579  -3.14001
   D298       0.01532  -0.00009  -0.00757   0.00523  -0.00231   0.01300
   D299       2.20817  -0.02934  -0.01962  -0.10459  -0.12406   2.08410
   D300       0.00464  -0.00849   0.00581  -0.07293  -0.06682  -0.06218
   D301      -2.19531  -0.01182  -0.00244  -0.09158  -0.09445  -2.28976
   D302       1.29237   0.00071   0.01030  -0.00727   0.00313   1.29550
   D303      -2.85890  -0.00499  -0.01815   0.01040  -0.00766  -2.86656
   D304      -0.58870   0.00496  -0.00819   0.03345   0.02507  -0.56363
   D305      -2.68739  -0.00110  -0.01778   0.05891   0.04120  -2.64619
   D306      -0.57271  -0.00180  -0.02819   0.06394   0.03570  -0.53701
   D307       1.48527  -0.00197  -0.02295   0.05487   0.03190   1.51716
   D308       3.04227  -0.00147  -0.01982  -0.05037  -0.07019   2.97208
   D309      -1.13829  -0.00189  -0.01502  -0.05664  -0.07165  -1.20995
   D310       0.93495  -0.00109  -0.01934  -0.04948  -0.06883   0.86613
   D311      -2.91175  -0.01095  -0.02825  -0.03074  -0.05901  -2.97076
   D312      -0.82921  -0.01087  -0.03269  -0.02746  -0.06017  -0.88938
   D313       1.29804  -0.01093  -0.02111  -0.03653  -0.05765   1.24039
   D314       1.25392   0.00952   0.01152  -0.00761   0.00393   1.25785
   D315      -2.94673   0.00960   0.00709  -0.00434   0.00278  -2.94395
   D316      -0.81948   0.00954   0.01866  -0.01341   0.00529  -0.81419
   D317      -0.90017   0.00002  -0.01233  -0.02075  -0.03311  -0.93328
   D318       1.18236   0.00010  -0.01677  -0.01748  -0.03426   1.14810
   D319      -2.97357   0.00004  -0.00519  -0.02655  -0.03175  -3.00532
   D320      -0.84407   0.00745  -0.10848  -0.11940  -0.22770  -1.07178
   D321       1.23631   0.00435  -0.12769  -0.11963  -0.24751   0.98880
   D322      -2.85217   0.00701  -0.11277  -0.11012  -0.22287  -3.07504
   D323      -2.79565  -0.00083  -0.02248  -0.04554  -0.06802  -2.86367
   D324      -0.71691  -0.00075  -0.02306  -0.04292  -0.06598  -0.78290
   D325       1.38628  -0.00076  -0.01501  -0.04941  -0.06443   1.32185
   D326       1.40624  -0.00081  -0.02357  -0.04530  -0.06886   1.33738
   D327      -2.79821  -0.00073  -0.02415  -0.04268  -0.06682  -2.86503
   D328      -0.69502  -0.00074  -0.01610  -0.04916  -0.06526  -0.76028
   D329      -0.71854  -0.00078  -0.02174  -0.04338  -0.06513  -0.78367
   D330       1.36019  -0.00070  -0.02232  -0.04077  -0.06309   1.29711
   D331      -2.81980  -0.00071  -0.01427  -0.04725  -0.06153  -2.88133
         Item               Value     Threshold  Converged?
 Maximum Force            0.030283     0.000450     NO 
 RMS     Force            0.003572     0.000300     NO 
 Maximum Displacement     1.025999     0.001800     NO 
 RMS     Displacement     0.149756     0.001200     NO 
 Predicted change in Energy=-7.288150D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.498485    3.243569   -0.020382
      2          6           0       -2.720455    1.868198   -0.016017
      3          6           0       -1.651347    0.958613   -0.093132
      4          6           0       -0.337682    1.467000   -0.167709
      5          6           0       -0.121464    2.855829   -0.166720
      6          6           0       -1.182312    3.737897   -0.093410
      7          6           0       -1.855443   -0.491534   -0.193032
      8          6           0       -0.732338   -1.372605   -0.261603
      9          6           0        0.593584   -0.856361   -0.041043
     10          6           0        0.807685    0.561518   -0.216502
     11          6           0       -3.142094   -1.041996   -0.273138
     12          6           0       -3.346470   -2.400154   -0.520726
     13          6           0       -2.231828   -3.230873   -0.761181
     14          6           0       -0.962185   -2.722444   -0.623498
     15          7           0        1.691966   -1.650223    0.219888
     16          6           0        2.970200   -1.093435    0.042466
     17          6           0        3.074040    0.268289   -0.367691
     18          7           0        1.994634    1.079053   -0.447418
     19          6           0        4.165777   -1.824239    0.185734
     20          6           0        5.391609   -1.246484   -0.081658
     21          6           0        5.495996    0.096942   -0.517201
     22          6           0        4.335841    0.834510   -0.657667
     23          7           0       -3.590040    4.141010    0.036764
     24          7           0       -4.639515   -2.944490   -0.567696
     25          7           0        6.763843    0.663860   -0.758950
     26          6           0       -5.024574   -4.154750    0.044254
     27          6           0       -6.401612   -4.371436   -0.198479
     28          6           0       -6.877451   -3.250470   -0.984458
     29          6           0       -5.773624   -2.386745   -1.191160
     30          6           0       -3.709798    5.231119    0.913729
     31          6           0       -4.928207    5.903047    0.646211
     32          6           0       -5.570046    5.196949   -0.443242
     33          6           0       -4.720151    4.118291   -0.796180
     34          6           0        7.205913    1.920756   -0.302497
     35          6           0        8.517499    2.146358   -0.786298
     36          6           0        8.886449    0.986246   -1.571647
     37          6           0        7.785964    0.093503   -1.535377
     38          6           0       -8.120354   -2.936230   -1.544082
     39          6           0       -8.248467   -1.775457   -2.301577
     40          6           0       -7.140482   -0.941223   -2.517653
     41          6           0       -5.889881   -1.237476   -1.977408
     42          6           0       -4.277626   -5.018374    0.849517
     43          6           0       -4.925994   -6.136377    1.371286
     44          6           0       -6.284803   -6.383026    1.115202
     45          6           0       -7.030486   -5.499264    0.340208
     46          6           0       -6.756495    5.404191   -1.155930
     47          6           0       -7.069993    4.556282   -2.213797
     48          6           0       -6.200764    3.512314   -2.572097
     49          6           0       -5.016732    3.280374   -1.875229
     50          6           0       -2.867408    5.628563    1.955844
     51          6           0       -3.242170    6.746094    2.698625
     52          6           0       -4.431133    7.443857    2.426133
     53          6           0       -5.281534    7.022790    1.408042
     54          6           0       10.034281    0.640555   -2.292999
     55          6           0       10.065186   -0.570238   -2.979228
     56          6           0        8.953639   -1.428375   -2.960986
     57          6           0        7.799429   -1.108169   -2.248172
     58          6           0        6.577862    2.825106    0.558499
     59          6           0        7.271402    3.986803    0.892818
     60          6           0        8.560067    4.242260    0.394782
     61          6           0        9.190741    3.323927   -0.438716
     62          8           0        0.132669   -3.035437    2.020157
     63         15           0        1.466588   -3.042039    1.407879
     64          8           0        2.732587   -2.852086    2.327443
     65          8           0        1.707965   -4.373913    0.534474
     66          6           0        2.525080   -2.592190    3.775761
     67          6           0        3.702108   -1.785289    4.272760
     68          6           0        2.921286   -4.964567    0.008946
     69          6           0        2.566987   -6.341320   -0.527648
     70          1           0       -3.740048    1.520308    0.076062
     71          1           0        0.897346    3.217278   -0.217759
     72          1           0       -1.010610    4.807167   -0.109842
     73          1           0       -4.008660   -0.414323   -0.119434
     74          1           0       -2.382758   -4.257162   -1.070767
     75          1           0       -0.122664   -3.366408   -0.846249
     76          1           0        4.157171   -2.836766    0.549810
     77          1           0        6.295450   -1.824599    0.074171
     78          1           0        4.349688    1.865953   -0.987129
     79          1           0       -8.972581   -3.591125   -1.389934
     80          1           0       -9.208694   -1.516708   -2.735689
     81          1           0       -7.254266   -0.044344   -3.116484
     82          1           0       -5.041888   -0.591662   -2.170567
     83          1           0       -3.238921   -4.821033    1.084682
     84          1           0       -4.365794   -6.822922    1.998069
     85          1           0       -6.759035   -7.262702    1.538742
     86          1           0       -8.087061   -5.676195    0.162654
     87          1           0       -7.417055    6.223870   -0.891771
     88          1           0       -7.987090    4.707012   -2.773818
     89          1           0       -6.448621    2.876778   -3.416614
     90          1           0       -4.342573    2.487084   -2.175463
     91          1           0       -1.962737    5.082474    2.193854
     92          1           0       -2.602428    7.075976    3.511341
     93          1           0       -4.690371    8.314881    3.019985
     94          1           0       -6.212321    7.547625    1.213613
     95          1           0       10.884287    1.315106   -2.326782
     96          1           0       10.951694   -0.852159   -3.537798
     97          1           0        8.986679   -2.359493   -3.517954
     98          1           0        6.939693   -1.767386   -2.264691
     99          1           0        5.593027    2.632196    0.967971
    100          1           0        6.803483    4.704944    1.558935
    101          1           0        9.069348    5.160501    0.671591
    102          1           0       10.194721    3.511319   -0.806502
    103          1           0        1.584176   -2.049087    3.874295
    104          1           0        2.445986   -3.575321    4.247338
    105          1           0        3.660268   -1.731438    5.366028
    106          1           0        4.651705   -2.247561    3.991012
    107          1           0        3.644437   -0.772093    3.870267
    108          1           0        3.315790   -4.326247   -0.786229
    109          1           0        3.660308   -5.030953    0.813564
    110          1           0        3.477303   -6.930609   -0.672139
    111          1           0        1.926498   -6.867442    0.184634
    112          1           0        2.044140   -6.275661   -1.484377
    113         17           0        1.131280    0.459684    2.730271
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0367798           0.0181882           0.0136883
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10666.6525129739 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.89D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Lowest energy guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999923    0.012262    0.001063   -0.001595 Ang=   1.42 deg.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999948    0.010028    0.001366    0.001180 Ang=   1.17 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.46660497     A.U. after   15 cycles
            NFock= 15  Conv=0.59D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001492984   -0.000610828   -0.000140636
      2        6           0.000328483    0.000764922    0.001877308
      3        6           0.000356978    0.000395821   -0.000825734
      4        6          -0.001212186    0.000800117   -0.000222431
      5        6          -0.000145733   -0.001140822   -0.000027450
      6        6          -0.000722343   -0.001091693   -0.001235129
      7        6           0.000753066    0.000818395    0.000092197
      8        6          -0.000140473   -0.001662192   -0.000387354
      9        6           0.002321335    0.000441828    0.004686002
     10        6           0.002706331    0.004338574    0.002188036
     11        6          -0.000451646   -0.000921688   -0.000267944
     12        6           0.001120878    0.000459225   -0.000528659
     13        6          -0.000437866    0.000684003   -0.000226400
     14        6           0.001112448    0.000740330    0.001387499
     15        7          -0.004030762   -0.001319963   -0.001961180
     16        6           0.002378213    0.001548287   -0.000440331
     17        6           0.000496179   -0.001629171    0.000314228
     18        7          -0.002861950   -0.000367080   -0.003418291
     19        6           0.000477734    0.000654306   -0.000778411
     20        6           0.000525567    0.000838843    0.000586857
     21        6          -0.000753971   -0.002090341    0.001193469
     22        6          -0.000186668   -0.000444607   -0.001151536
     23        7          -0.001778232    0.000429419   -0.000095409
     24        7          -0.001574373   -0.000020350    0.000356501
     25        7           0.001316152    0.002309259   -0.001121637
     26        6          -0.000341971    0.001037910    0.000508322
     27        6          -0.000463132    0.000169622    0.000792686
     28        6           0.000236581   -0.000719871   -0.000850651
     29        6           0.000803441   -0.000949833   -0.000907798
     30        6          -0.000730564   -0.002041586    0.000844549
     31        6           0.000067481    0.000325162   -0.000346008
     32        6          -0.000154470    0.000173121   -0.000065116
     33        6           0.001702302    0.001684870   -0.000390095
     34        6           0.000526998   -0.002238098    0.001489759
     35        6           0.000326360    0.000386270   -0.000144698
     36        6           0.000300242   -0.000119486    0.000600126
     37        6          -0.001314450    0.001135246   -0.000467845
     38        6           0.000255743    0.000544387    0.000440792
     39        6           0.000487967   -0.000091441    0.000159905
     40        6           0.000264529   -0.000741356    0.000508441
     41        6          -0.000267904    0.000348055    0.000717602
     42        6          -0.000660321   -0.000472087   -0.000003947
     43        6          -0.000397737    0.000106337   -0.000161928
     44        6           0.000220020    0.000194630   -0.000107506
     45        6           0.000512127   -0.000050832   -0.000300110
     46        6           0.000541228   -0.000357617   -0.000037057
     47        6           0.000315218   -0.000286926    0.000135000
     48        6          -0.000125756    0.000331622    0.000383010
     49        6          -0.000326412    0.000142957    0.000558772
     50        6          -0.000600217    0.000506978   -0.000070866
     51        6          -0.000261694   -0.000131049   -0.000120182
     52        6          -0.000114078    0.000078464   -0.000396053
     53        6           0.000249694   -0.000298090    0.000505399
     54        6          -0.000688819   -0.000169499   -0.000489023
     55        6          -0.000253068   -0.000137522    0.000430467
     56        6           0.000002315    0.000320395    0.000131801
     57        6           0.000481802    0.000127594   -0.000269473
     58        6           0.000072217    0.000525354   -0.000424120
     59        6           0.000055943   -0.000254384   -0.000199294
     60        6          -0.000107277    0.000071604   -0.000106523
     61        6          -0.000583176   -0.000527449    0.000291694
     62        8          -0.000237352   -0.000837054   -0.001292356
     63       15          -0.003256585   -0.001530945   -0.006419166
     64        8           0.002262023   -0.004942989    0.002159682
     65        8          -0.002162629    0.006043925   -0.001023539
     66        6          -0.001194209    0.000973453    0.002323882
     67        6          -0.001314354    0.000144797   -0.000014731
     68        6           0.000379584   -0.000826766    0.000984481
     69        6          -0.000099903   -0.000438450    0.000966183
     70        1          -0.000669689   -0.000055207   -0.000124764
     71        1           0.000213068   -0.000069874   -0.000048703
     72        1          -0.000104614    0.000679013    0.000056982
     73        1           0.000047756   -0.000087485   -0.000437340
     74        1           0.000076073   -0.000358323   -0.000134932
     75        1           0.001922481   -0.000618132    0.001205611
     76        1           0.000403922    0.000082708   -0.000302875
     77        1          -0.000116560    0.000123040   -0.000192364
     78        1           0.000082272    0.000009373    0.000075650
     79        1          -0.000008550   -0.000209452   -0.000069769
     80        1          -0.000190688    0.000135035   -0.000041258
     81        1          -0.000195557    0.000658893   -0.000527747
     82        1           0.000198791   -0.000003007   -0.000107642
     83        1           0.000383567   -0.000133076    0.000128638
     84        1           0.000060217   -0.000199861    0.000181014
     85        1          -0.000034255   -0.000064710   -0.000008190
     86        1          -0.000090307    0.000002407    0.000051468
     87        1          -0.000429938    0.000373117    0.000091578
     88        1          -0.000267058    0.000033213   -0.000197935
     89        1          -0.000158894   -0.000279007   -0.000304262
     90        1           0.000408488   -0.000450328    0.000111028
     91        1           0.000684958   -0.000094398   -0.000171030
     92        1           0.000073853    0.000121836    0.000067281
     93        1          -0.000019396   -0.000196982    0.000213177
     94        1           0.000022917    0.000198336   -0.000146182
     95        1           0.000309532    0.000117042    0.000185964
     96        1           0.000116553    0.000024234   -0.000366712
     97        1           0.000187152   -0.000243088   -0.000218889
     98        1          -0.000154116   -0.000367426    0.000259917
     99        1          -0.000132462    0.000038847   -0.000218020
    100        1          -0.000145203    0.000088508    0.000026329
    101        1          -0.000037062   -0.000256065   -0.000049618
    102        1           0.000375410    0.000060115   -0.000178452
    103        1           0.001357103    0.001809507    0.001672122
    104        1           0.001122485   -0.000172963    0.000095971
    105        1          -0.000560157    0.000391763   -0.000362098
    106        1           0.000787889   -0.000631262    0.000011440
    107        1           0.000219069    0.000322507   -0.000192010
    108        1           0.000605899    0.000343569    0.000060276
    109        1          -0.000444446    0.000152559    0.000740549
    110        1           0.000223971    0.000553097   -0.000864493
    111        1           0.000783770   -0.000367968    0.000293775
    112        1          -0.001211381    0.000011409    0.000195475
    113       17          -0.001194748   -0.002605527   -0.000636990
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006419166 RMS     0.001060824

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.010398319 RMS     0.001087347
 Search for a local minimum.
 Step number  11 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    9   11
 DE= -7.17D-03 DEPred=-7.29D-03 R= 9.84D-01
 TightC=F SS=  1.41D+00  RLast= 4.28D-01 DXNew= 2.0182D+00 1.2846D+00
 Trust test= 9.84D-01 RLast= 4.28D-01 DXMaxT set to 1.28D+00
 ITU=  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00463   0.00616   0.00923   0.01039   0.01082
     Eigenvalues ---    0.01346   0.01529   0.01694   0.02070   0.02463
     Eigenvalues ---    0.02486   0.02527   0.02548   0.02554   0.02588
     Eigenvalues ---    0.02604   0.02636   0.02673   0.02680   0.02697
     Eigenvalues ---    0.02700   0.02707   0.02712   0.02714   0.02715
     Eigenvalues ---    0.02729   0.02743   0.02757   0.02770   0.02789
     Eigenvalues ---    0.02797   0.02802   0.02810   0.02812   0.02816
     Eigenvalues ---    0.02817   0.02828   0.02844   0.02852   0.02864
     Eigenvalues ---    0.02871   0.02875   0.02876   0.02881   0.02892
     Eigenvalues ---    0.02898   0.02901   0.02902   0.02906   0.02908
     Eigenvalues ---    0.02913   0.02917   0.02919   0.02924   0.02931
     Eigenvalues ---    0.02938   0.02943   0.02947   0.02947   0.02950
     Eigenvalues ---    0.02952   0.02952   0.02955   0.02962   0.02963
     Eigenvalues ---    0.02966   0.02967   0.02971   0.02981   0.02989
     Eigenvalues ---    0.02991   0.02993   0.03000   0.03011   0.03019
     Eigenvalues ---    0.03025   0.03035   0.03050   0.03059   0.03063
     Eigenvalues ---    0.03066   0.03074   0.03085   0.03098   0.03107
     Eigenvalues ---    0.03117   0.03125   0.03138   0.03146   0.03168
     Eigenvalues ---    0.03179   0.03182   0.03190   0.03226   0.03245
     Eigenvalues ---    0.03257   0.03278   0.03310   0.03446   0.03592
     Eigenvalues ---    0.03790   0.05246   0.05551   0.05704   0.05878
     Eigenvalues ---    0.05890   0.05958   0.06260   0.07495   0.09422
     Eigenvalues ---    0.11130   0.11323   0.11823   0.12593   0.13578
     Eigenvalues ---    0.14700   0.15830   0.15980   0.15986   0.15994
     Eigenvalues ---    0.15994   0.15995   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16004   0.16008   0.16019   0.16066   0.16217
     Eigenvalues ---    0.18390   0.19475   0.21505   0.21811   0.21998
     Eigenvalues ---    0.21999   0.21999   0.22000   0.22005   0.22053
     Eigenvalues ---    0.22300   0.22422   0.22449   0.22546   0.22593
     Eigenvalues ---    0.22596   0.22606   0.22633   0.22659   0.23239
     Eigenvalues ---    0.23443   0.23493   0.23606   0.23855   0.24054
     Eigenvalues ---    0.24304   0.24397   0.24439   0.24445   0.24457
     Eigenvalues ---    0.24488   0.24508   0.24533   0.24576   0.24692
     Eigenvalues ---    0.24786   0.24905   0.24926   0.24931   0.24944
     Eigenvalues ---    0.24948   0.24958   0.24962   0.24971   0.24976
     Eigenvalues ---    0.24985   0.24988   0.25003   0.25254   0.25325
     Eigenvalues ---    0.26131   0.26561   0.27217   0.27789   0.28299
     Eigenvalues ---    0.28384   0.28745   0.28848   0.29211   0.29328
     Eigenvalues ---    0.29650   0.30065   0.30440   0.30631   0.30657
     Eigenvalues ---    0.30789   0.30919   0.31070   0.31126   0.31252
     Eigenvalues ---    0.31350   0.31387   0.31487   0.31682   0.32131
     Eigenvalues ---    0.32222   0.32245   0.32644   0.33157   0.33520
     Eigenvalues ---    0.33555   0.33961   0.34033   0.34168   0.34497
     Eigenvalues ---    0.34670   0.34904   0.34938   0.35156   0.35501
     Eigenvalues ---    0.35580   0.36382   0.36725   0.36813   0.37134
     Eigenvalues ---    0.37310   0.38934   0.40791   0.41492   0.41540
     Eigenvalues ---    0.42044   0.42633   0.43089   0.43389   0.44390
     Eigenvalues ---    0.45307   0.46411   0.47088   0.47091   0.47179
     Eigenvalues ---    0.47674   0.47851   0.48442   0.49726   0.50073
     Eigenvalues ---    0.50395   0.50556   0.50646   0.51657   0.51878
     Eigenvalues ---    0.52090   0.52163   0.52247   0.52661   0.53099
     Eigenvalues ---    0.53126   0.53439   0.53786   0.54288   0.54324
     Eigenvalues ---    0.54981   0.55242   0.55566   0.55644   0.55806
     Eigenvalues ---    0.56088   0.56189   0.56206   0.56486   0.56639
     Eigenvalues ---    0.56926   0.57164   0.57201   0.57246   0.57814
     Eigenvalues ---    0.58234   0.58283   0.58315   0.58391   0.58544
     Eigenvalues ---    0.58679   0.58891   0.58930   0.59292   0.59468
     Eigenvalues ---    0.59788   0.59801   0.60139   0.60682   0.60875
     Eigenvalues ---    0.61808   0.62545   0.63235   0.63574   0.64464
     Eigenvalues ---    0.65274   0.65983   0.66710   0.67777   0.68870
     Eigenvalues ---    0.72090   0.73007   0.74569   0.78177   0.80265
     Eigenvalues ---    0.82270   0.85107   0.87978
 RFO step:  Lambda=-9.67292722D-03 EMin= 4.62683756D-03
 Quartic linear search produced a step of -0.02637.
 Iteration  1 RMS(Cart)=  0.14269166 RMS(Int)=  0.01351260
 Iteration  2 RMS(Cart)=  0.05895836 RMS(Int)=  0.00393222
 Iteration  3 RMS(Cart)=  0.00435299 RMS(Int)=  0.00003620
 Iteration  4 RMS(Cart)=  0.00002075 RMS(Int)=  0.00003577
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003577
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63272  -0.00087  -0.00002  -0.00192  -0.00194   2.63078
    R2        2.66043  -0.00052   0.00003  -0.00368  -0.00363   2.65679
    R3        2.67258   0.00095   0.00001   0.00211   0.00212   2.67470
    R4        2.65658   0.00016   0.00006  -0.00039  -0.00033   2.65625
    R5        2.04324   0.00061   0.00012  -0.00066  -0.00054   2.04270
    R6        2.66561   0.00068  -0.00002  -0.00103  -0.00110   2.66451
    R7        2.77382   0.00086   0.00012  -0.00267  -0.00260   2.77122
    R8        2.65612  -0.00112   0.00011  -0.00507  -0.00496   2.65116
    R9        2.76065   0.00132   0.00016  -0.00254  -0.00237   2.75828
   R10        2.61084   0.00040  -0.00005   0.00014   0.00010   2.61094
   R11        2.04512   0.00016   0.00008  -0.00010  -0.00003   2.04509
   R12        2.04675   0.00068   0.00014   0.00210   0.00224   2.04899
   R13        2.70063  -0.00128   0.00001  -0.00345  -0.00347   2.69715
   R14        2.64892   0.00037   0.00006  -0.00016  -0.00011   2.64881
   R15        2.72096  -0.00354  -0.00020  -0.00121  -0.00137   2.71958
   R16        2.67639  -0.00141   0.00004  -0.00498  -0.00495   2.67144
   R17        2.72999   0.00091  -0.00030   0.00566   0.00550   2.73549
   R18        2.60806  -0.00554   0.00007  -0.00839  -0.00830   2.59976
   R19        2.48556  -0.00190  -0.00001  -0.00403  -0.00397   2.48159
   R20        2.63728   0.00012   0.00005  -0.00117  -0.00112   2.63616
   R21        2.04277  -0.00017  -0.00003  -0.00197  -0.00201   2.04077
   R22        2.66602   0.00044   0.00008  -0.00380  -0.00370   2.66231
   R23        2.65267   0.00092  -0.00003   0.00122   0.00119   2.65387
   R24        2.59757   0.00040  -0.00007   0.00152   0.00146   2.59902
   R25        2.04571   0.00038   0.00011   0.00156   0.00167   2.04737
   R26        2.04327   0.00160   0.00011   0.00085   0.00096   2.04423
   R27        2.65597   0.00349   0.00022  -0.00139  -0.00124   2.65474
   R28        3.48411   0.00045   0.00018   0.00747   0.00765   3.49176
   R29        2.69463   0.00092   0.00008  -0.00427  -0.00429   2.69035
   R30        2.66177   0.00088   0.00001   0.00066   0.00068   2.66245
   R31        2.55554   0.00270  -0.00002   0.00102   0.00099   2.55653
   R32        2.67036  -0.00006   0.00002  -0.00079  -0.00078   2.66958
   R33        2.61026  -0.00005  -0.00007   0.00064   0.00058   2.61084
   R34        2.03340  -0.00012   0.00000   0.00052   0.00052   2.03392
   R35        2.67608  -0.00128  -0.00005  -0.00337  -0.00340   2.67267
   R36        2.04879  -0.00018  -0.00002  -0.00140  -0.00142   2.04737
   R37        2.61145  -0.00002   0.00001  -0.00002  -0.00001   2.61144
   R38        2.66396   0.00117  -0.00016   0.00535   0.00519   2.66915
   R39        2.04633  -0.00002  -0.00003  -0.00125  -0.00128   2.04505
   R40        2.65353  -0.00053   0.00011  -0.00496  -0.00485   2.64868
   R41        2.65334  -0.00140   0.00012  -0.00712  -0.00699   2.64635
   R42        2.66410   0.00039   0.00019  -0.00456  -0.00437   2.65972
   R43        2.66310  -0.00118   0.00008  -0.00532  -0.00523   2.65787
   R44        2.66147  -0.00136   0.00014  -0.00744  -0.00730   2.65417
   R45        2.65429  -0.00059   0.00013  -0.00603  -0.00590   2.64839
   R46        2.67388   0.00022   0.00001  -0.00103  -0.00102   2.67286
   R47        2.64036   0.00043   0.00007  -0.00187  -0.00181   2.63856
   R48        2.73896  -0.00036  -0.00004  -0.00346  -0.00350   2.73546
   R49        2.64404  -0.00027   0.00002  -0.00249  -0.00246   2.64158
   R50        2.67727  -0.00038  -0.00001  -0.00147  -0.00148   2.67579
   R51        2.64341  -0.00038  -0.00004  -0.00116  -0.00120   2.64221
   R52        2.64056  -0.00016   0.00005  -0.00174  -0.00169   2.63888
   R53        2.67753   0.00006  -0.00000  -0.00183  -0.00184   2.67570
   R54        2.64129  -0.00004   0.00006  -0.00253  -0.00247   2.63882
   R55        2.73680  -0.00024  -0.00010  -0.00263  -0.00273   2.73407
   R56        2.64498  -0.00005   0.00002  -0.00117  -0.00115   2.64383
   R57        2.67941  -0.00007  -0.00004   0.00012   0.00010   2.67951
   R58        2.64463  -0.00005   0.00008  -0.00185  -0.00177   2.64286
   R59        2.64184  -0.00032   0.00002  -0.00187  -0.00184   2.64000
   R60        2.67596   0.00006  -0.00005  -0.00058  -0.00062   2.67534
   R61        2.64130  -0.00022   0.00004  -0.00152  -0.00148   2.63982
   R62        2.73766  -0.00036  -0.00002  -0.00378  -0.00379   2.73387
   R63        2.64611  -0.00059  -0.00005  -0.00098  -0.00103   2.64509
   R64        2.67873  -0.00025  -0.00009  -0.00053  -0.00062   2.67811
   R65        2.64384  -0.00011   0.00005  -0.00155  -0.00151   2.64234
   R66        2.64040   0.00037   0.00009  -0.00027  -0.00018   2.64022
   R67        2.63046  -0.00003   0.00008  -0.00363  -0.00355   2.62691
   R68        2.05185   0.00014   0.00003   0.00001   0.00004   2.05189
   R69        2.65254  -0.00019  -0.00004  -0.00120  -0.00124   2.65130
   R70        2.05054   0.00021   0.00006   0.00091   0.00097   2.05151
   R71        2.63455  -0.00032   0.00002  -0.00200  -0.00198   2.63256
   R72        2.04923   0.00086   0.00014   0.00362   0.00376   2.05299
   R73        2.04709   0.00016   0.00004  -0.00179  -0.00175   2.04533
   R74        2.63382   0.00006   0.00001  -0.00129  -0.00128   2.63253
   R75        2.04680   0.00034   0.00007   0.00710   0.00718   2.05398
   R76        2.65423  -0.00048  -0.00001  -0.00160  -0.00161   2.65261
   R77        2.05105   0.00025   0.00005   0.00048   0.00053   2.05158
   R78        2.63052  -0.00037   0.00001  -0.00248  -0.00247   2.62805
   R79        2.05112   0.00006   0.00002   0.00020   0.00022   2.05135
   R80        2.05206   0.00008   0.00003   0.00005   0.00008   2.05214
   R81        2.62958   0.00011  -0.00001  -0.00063  -0.00064   2.62894
   R82        2.05102   0.00057   0.00008   0.00536   0.00544   2.05647
   R83        2.65492  -0.00017  -0.00000  -0.00131  -0.00132   2.65360
   R84        2.05051   0.00033   0.00007   0.00093   0.00100   2.05151
   R85        2.63300   0.00012   0.00006  -0.00215  -0.00208   2.63092
   R86        2.05151   0.00043   0.00009   0.00136   0.00145   2.05296
   R87        2.04749   0.00054   0.00011  -0.00008   0.00003   2.04752
   R88        2.63279  -0.00003   0.00005  -0.00144  -0.00139   2.63140
   R89        2.04692   0.00063   0.00014   0.00118   0.00133   2.04825
   R90        2.65556  -0.00015  -0.00009  -0.00113  -0.00123   2.65433
   R91        2.05155   0.00014   0.00003   0.00001   0.00005   2.05160
   R92        2.63004  -0.00035   0.00002  -0.00254  -0.00252   2.62752
   R93        2.05150  -0.00002  -0.00001  -0.00016  -0.00017   2.05134
   R94        2.05244   0.00007   0.00002   0.00004   0.00006   2.05250
   R95        2.63065  -0.00008   0.00005  -0.00281  -0.00275   2.62790
   R96        2.05161   0.00029   0.00007   0.00125   0.00132   2.05293
   R97        2.65388  -0.00029  -0.00012  -0.00082  -0.00094   2.65295
   R98        2.05049   0.00030   0.00007   0.00068   0.00075   2.05124
   R99        2.63401   0.00003   0.00004  -0.00122  -0.00117   2.63283
   R100       2.05128   0.00034   0.00008   0.00112   0.00120   2.05247
   R101       2.04753   0.00037   0.00011  -0.00092  -0.00081   2.04672
   R102       2.63365  -0.00036  -0.00001  -0.00065  -0.00066   2.63299
   R103       2.04822   0.00001   0.00002  -0.00148  -0.00145   2.04677
   R104       2.65502  -0.00014   0.00003  -0.00234  -0.00232   2.65270
   R105       2.05136   0.00014   0.00002   0.00012   0.00014   2.05151
   R106       2.62924  -0.00014  -0.00001  -0.00154  -0.00155   2.62768
   R107       2.05203  -0.00025  -0.00004  -0.00037  -0.00041   2.05163
   R108       2.05134   0.00041   0.00008   0.00115   0.00123   2.05257
   R109       2.77363  -0.00027  -0.00007   0.00060   0.00053   2.77416
   R110       2.97860   0.00305  -0.00015   0.01281   0.01266   2.99126
   R111       3.04415  -0.00552  -0.00060  -0.00210  -0.00271   3.04144
   R112       2.80816   0.00298   0.00004   0.01134   0.01138   2.81954
   R113       2.73665  -0.00060  -0.00012  -0.00060  -0.00072   2.73592
   R114       2.85561  -0.00066  -0.00005  -0.00178  -0.00182   2.85378
   R115       2.06142  -0.00031  -0.00011   0.00764   0.00753   2.06896
   R116       2.06593   0.00026   0.00004   0.00149   0.00153   2.06746
   R117       2.06999  -0.00035   0.00000  -0.00071  -0.00071   2.06929
   R118       2.06561   0.00090   0.00013   0.00475   0.00488   2.07049
   R119       2.06309   0.00032   0.00008   0.00021   0.00028   2.06337
   R120       2.87146   0.00004   0.00010  -0.00165  -0.00155   2.86991
   R121       2.06611   0.00033  -0.00002   0.00105   0.00104   2.06715
   R122       2.06834   0.00021   0.00008   0.00008   0.00015   2.06849
   R123       2.06734   0.00012   0.00005   0.00065   0.00070   2.06804
   R124       2.06523   0.00002  -0.00007   0.00077   0.00070   2.06593
   R125       2.06405   0.00046   0.00010   0.00157   0.00167   2.06572
   R126       5.28037  -0.00171  -0.00159  -0.09333  -0.09493   5.18544
    A1        2.08950   0.00011  -0.00004  -0.00139  -0.00143   2.08807
    A2        2.09827  -0.00075  -0.00015   0.00560   0.00546   2.10373
    A3        2.09537   0.00064   0.00018  -0.00420  -0.00401   2.09137
    A4        2.11462  -0.00008  -0.00002   0.00203   0.00198   2.11660
    A5        2.05799  -0.00019  -0.00005  -0.00158  -0.00162   2.05637
    A6        2.11021   0.00027   0.00008  -0.00040  -0.00030   2.10990
    A7        2.06912  -0.00001   0.00007  -0.00227  -0.00219   2.06693
    A8        2.13792  -0.00016  -0.00002   0.00222   0.00229   2.14021
    A9        2.07368   0.00019  -0.00003   0.00011  -0.00001   2.07367
   A10        2.09364  -0.00013  -0.00010   0.00086   0.00074   2.09437
   A11        2.10428  -0.00043   0.00002   0.00040   0.00041   2.10469
   A12        2.08502   0.00057   0.00008  -0.00123  -0.00111   2.08391
   A13        2.10919  -0.00005   0.00002   0.00043   0.00042   2.10961
   A14        2.06552  -0.00014  -0.00013   0.00019   0.00007   2.06559
   A15        2.10844   0.00019   0.00011  -0.00067  -0.00055   2.10790
   A16        2.09027   0.00017   0.00005   0.00036   0.00039   2.09067
   A17        2.08937  -0.00022  -0.00013  -0.00035  -0.00048   2.08889
   A18        2.10338   0.00006   0.00009   0.00005   0.00014   2.10352
   A19        2.09795  -0.00007  -0.00000  -0.00113  -0.00120   2.09676
   A20        2.11704   0.00159   0.00014   0.00353   0.00374   2.12078
   A21        2.06747  -0.00151  -0.00013  -0.00260  -0.00275   2.06472
   A22        2.08897   0.00001   0.00002   0.00128   0.00130   2.09027
   A23        2.06271   0.00268   0.00010   0.00562   0.00569   2.06840
   A24        2.12975  -0.00267  -0.00010  -0.00698  -0.00703   2.12273
   A25        2.05982   0.00214   0.00025  -0.00336  -0.00327   2.05654
   A26        2.15988  -0.00710  -0.00072  -0.00211  -0.00311   2.15677
   A27        2.05960   0.00488   0.00052   0.00190   0.00207   2.06167
   A28        2.08069  -0.00168   0.00003  -0.00410  -0.00415   2.07654
   A29        2.05952   0.00350   0.00032   0.00498   0.00510   2.06462
   A30        2.14271  -0.00186  -0.00034  -0.00153  -0.00202   2.14070
   A31        2.12554   0.00007   0.00007   0.00120   0.00122   2.12676
   A32        2.09402   0.00009   0.00001   0.00018   0.00021   2.09423
   A33        2.06338  -0.00016  -0.00008  -0.00130  -0.00136   2.06202
   A34        2.08010   0.00048  -0.00002   0.00068   0.00063   2.08074
   A35        2.11555  -0.00165  -0.00020   0.00546   0.00527   2.12083
   A36        2.08718   0.00117   0.00021  -0.00600  -0.00578   2.08140
   A37        2.08852  -0.00042  -0.00002   0.00049   0.00045   2.08897
   A38        2.09073   0.00031   0.00003  -0.00091  -0.00088   2.08985
   A39        2.10376   0.00011  -0.00001   0.00043   0.00043   2.10419
   A40        2.12707  -0.00112  -0.00001  -0.00205  -0.00210   2.12497
   A41        2.08779  -0.00021  -0.00037   0.00376   0.00341   2.09120
   A42        2.06717   0.00135   0.00040  -0.00165  -0.00123   2.06594
   A43        2.06243  -0.00181  -0.00025  -0.00003  -0.00042   2.06200
   A44        2.04740  -0.00798  -0.00051  -0.00601  -0.00645   2.04095
   A45        2.08469   0.01040   0.00126   0.00938   0.01069   2.09538
   A46        2.07243  -0.00165  -0.00015  -0.00020  -0.00070   2.07172
   A47        2.15745   0.00200   0.00028  -0.00057  -0.00025   2.15719
   A48        2.05208  -0.00041  -0.00013  -0.00059  -0.00076   2.05132
   A49        2.13100   0.00166   0.00014   0.00190   0.00186   2.13286
   A50        2.10215  -0.00058   0.00012  -0.00390  -0.00374   2.09841
   A51        2.04924  -0.00105  -0.00024   0.00214   0.00203   2.05127
   A52        2.06467  -0.00107   0.00019  -0.00427  -0.00416   2.06051
   A53        2.11363   0.00038  -0.00004   0.00441   0.00436   2.11799
   A54        2.11279   0.00025   0.00012  -0.00271  -0.00258   2.11021
   A55        2.05577  -0.00062  -0.00006  -0.00196  -0.00200   2.05377
   A56        2.11971  -0.00020   0.00018  -0.00446  -0.00430   2.11541
   A57        2.08172   0.00021  -0.00003   0.00346   0.00342   2.08514
   A58        2.08130  -0.00000  -0.00016   0.00132   0.00114   2.08244
   A59        2.06657   0.00033  -0.00012  -0.00061  -0.00075   2.06582
   A60        2.09503   0.00002   0.00011  -0.00240  -0.00229   2.09274
   A61        2.12113  -0.00034   0.00001   0.00309   0.00311   2.12424
   A62        2.11171   0.00048  -0.00003   0.00472   0.00462   2.11633
   A63        2.04375  -0.00017  -0.00022   0.00127   0.00105   2.04480
   A64        2.12771  -0.00032   0.00023  -0.00606  -0.00582   2.12189
   A65        2.19406   0.00043   0.00024  -0.00272  -0.00249   2.19157
   A66        2.19811  -0.00040  -0.00014   0.00522   0.00507   2.20319
   A67        1.89063  -0.00003  -0.00009  -0.00243  -0.00251   1.88812
   A68        2.17726   0.00203   0.00034  -0.00327  -0.00293   2.17433
   A69        2.21759  -0.00200  -0.00028   0.00458   0.00429   2.22188
   A70        1.88809  -0.00003  -0.00007  -0.00117  -0.00124   1.88685
   A71        2.19643  -0.00003  -0.00011   0.00417   0.00406   2.20049
   A72        2.19687  -0.00020   0.00014  -0.00314  -0.00301   2.19386
   A73        1.88928   0.00023  -0.00003  -0.00089  -0.00091   1.88838
   A74        1.89950  -0.00025  -0.00002   0.00212   0.00210   1.90159
   A75        2.25852   0.00089   0.00005   0.00098   0.00102   2.25954
   A76        2.12290  -0.00064  -0.00003  -0.00272  -0.00276   2.12015
   A77        1.86930  -0.00010   0.00003  -0.00206  -0.00203   1.86727
   A78        2.08842   0.00025  -0.00000   0.00223   0.00222   2.09063
   A79        2.32491  -0.00015  -0.00004   0.00007   0.00002   2.32492
   A80        1.87008  -0.00001   0.00003  -0.00014  -0.00011   1.86997
   A81        2.32183   0.00025  -0.00002  -0.00025  -0.00029   2.32153
   A82        2.09088  -0.00023  -0.00000   0.00058   0.00058   2.09146
   A83        1.89777   0.00039   0.00002   0.00130   0.00131   1.89908
   A84        2.26712  -0.00069  -0.00003   0.00071   0.00066   2.26778
   A85        2.11612   0.00031  -0.00002  -0.00142  -0.00145   2.11467
   A86        1.90031   0.00010  -0.00001   0.00365   0.00364   1.90394
   A87        2.25880   0.00008   0.00005  -0.00157  -0.00152   2.25728
   A88        2.12256  -0.00016  -0.00004  -0.00172  -0.00178   2.12078
   A89        1.86703  -0.00021   0.00006  -0.00244  -0.00238   1.86465
   A90        2.08713   0.00005  -0.00004   0.00223   0.00217   2.08930
   A91        2.32900   0.00015  -0.00002   0.00017   0.00014   2.32914
   A92        1.86764  -0.00033   0.00001  -0.00163  -0.00162   1.86602
   A93        2.32761   0.00035  -0.00008   0.00158   0.00148   2.32909
   A94        2.08755  -0.00002   0.00007   0.00024   0.00030   2.08785
   A95        1.89914   0.00046   0.00004   0.00285   0.00287   1.90201
   A96        2.26313  -0.00052   0.00003  -0.00146  -0.00148   2.26165
   A97        2.11874   0.00008  -0.00008  -0.00054  -0.00065   2.11809
   A98        1.89882   0.00005  -0.00001   0.00194   0.00191   1.90073
   A99        2.26013   0.00002  -0.00005   0.00225   0.00215   2.26228
   A100       2.12183  -0.00005   0.00006  -0.00309  -0.00308   2.11875
   A101       1.86870  -0.00012   0.00001  -0.00113  -0.00111   1.86759
   A102       2.08805   0.00002   0.00000   0.00139   0.00138   2.08944
   A103       2.32616   0.00010  -0.00002  -0.00015  -0.00018   2.32598
   A104       1.86789  -0.00020   0.00008  -0.00207  -0.00200   1.86590
   A105       2.32721   0.00018  -0.00007   0.00163   0.00155   2.32875
   A106       2.08807   0.00002  -0.00001   0.00039   0.00035   2.08843
   A107       1.90007   0.00003  -0.00004   0.00214   0.00209   1.90216
   A108       2.26301   0.00013   0.00007  -0.00024  -0.00017   2.26284
   A109       2.11894  -0.00016  -0.00003  -0.00162  -0.00166   2.11728
   A110       2.07924   0.00003   0.00000   0.00013   0.00014   2.07938
   A111       2.10030  -0.00009  -0.00008   0.00115   0.00107   2.10137
   A112       2.10364   0.00006   0.00007  -0.00128  -0.00121   2.10243
   A113       2.10218   0.00012   0.00003   0.00008   0.00011   2.10230
   A114       2.09209   0.00002   0.00003  -0.00023  -0.00021   2.09189
   A115       2.08887  -0.00014  -0.00006   0.00018   0.00012   2.08899
   A116       2.12015  -0.00016  -0.00006  -0.00041  -0.00047   2.11968
   A117       2.08717   0.00006   0.00009  -0.00171  -0.00162   2.08555
   A118       2.07586   0.00010  -0.00003   0.00212   0.00209   2.07796
   A119       2.05720  -0.00008   0.00005   0.00102   0.00107   2.05828
   A120       2.12414  -0.00004  -0.00002  -0.00066  -0.00068   2.12347
   A121       2.10183   0.00012  -0.00005  -0.00036  -0.00041   2.10143
   A122       2.05203   0.00018   0.00002   0.00121   0.00123   2.05327
   A123       2.12373   0.00015   0.00010  -0.00169  -0.00160   2.12214
   A124       2.10713  -0.00034  -0.00012   0.00058   0.00045   2.10758
   A125       2.12075   0.00008  -0.00000   0.00027   0.00027   2.12102
   A126       2.07542   0.00007   0.00016  -0.00139  -0.00123   2.07419
   A127       2.08695  -0.00015  -0.00016   0.00110   0.00095   2.08789
   A128       2.10396  -0.00004  -0.00002  -0.00060  -0.00063   2.10333
   A129       2.08732   0.00005   0.00004  -0.00007  -0.00004   2.08728
   A130       2.09179  -0.00000  -0.00004   0.00079   0.00075   2.09254
   A131       2.07755   0.00016   0.00002  -0.00022  -0.00020   2.07735
   A132       2.10100  -0.00007  -0.00009   0.00162   0.00153   2.10253
   A133       2.10460  -0.00009   0.00007  -0.00141  -0.00134   2.10325
   A134       2.08049  -0.00004  -0.00001  -0.00017  -0.00018   2.08032
   A135       2.09886   0.00010  -0.00007   0.00208   0.00201   2.10087
   A136       2.10377  -0.00006   0.00008  -0.00194  -0.00186   2.10191
   A137       2.10282   0.00001  -0.00004  -0.00000  -0.00005   2.10278
   A138       2.09224   0.00002   0.00015  -0.00172  -0.00156   2.09067
   A139       2.08807  -0.00002  -0.00011   0.00176   0.00164   2.08972
   A140       2.11988  -0.00004   0.00003   0.00002   0.00004   2.11993
   A141       2.08535  -0.00004  -0.00003  -0.00066  -0.00069   2.08467
   A142       2.07789   0.00008  -0.00001   0.00068   0.00067   2.07856
   A143       2.05618   0.00002   0.00002   0.00077   0.00079   2.05697
   A144       2.11848  -0.00021   0.00002  -0.00170  -0.00168   2.11680
   A145       2.10835   0.00019  -0.00003   0.00093   0.00090   2.10926
   A146       2.05271   0.00002   0.00007   0.00027   0.00033   2.05304
   A147       2.12215  -0.00011  -0.00013   0.00042   0.00029   2.12243
   A148       2.10820   0.00009   0.00005  -0.00060  -0.00055   2.10765
   A149       2.12057   0.00006  -0.00005   0.00144   0.00138   2.12195
   A150       2.07640   0.00001  -0.00013   0.00247   0.00235   2.07875
   A151       2.08617  -0.00007   0.00018  -0.00390  -0.00372   2.08246
   A152       2.10435  -0.00002   0.00001  -0.00134  -0.00133   2.10302
   A153       2.08789  -0.00009  -0.00002   0.00061   0.00059   2.08848
   A154       2.09092   0.00010   0.00001   0.00072   0.00073   2.09165
   A155       2.07825   0.00005   0.00006  -0.00047  -0.00042   2.07783
   A156       2.10074  -0.00001   0.00003   0.00016   0.00018   2.10092
   A157       2.10413  -0.00005  -0.00010   0.00041   0.00030   2.10443
   A158       2.07978   0.00013   0.00003   0.00105   0.00108   2.08086
   A159       2.10002  -0.00008  -0.00013   0.00193   0.00179   2.10181
   A160       2.10330  -0.00005   0.00011  -0.00291  -0.00281   2.10049
   A161       2.10307   0.00002  -0.00001  -0.00015  -0.00017   2.10291
   A162       2.09195   0.00003  -0.00006   0.00133   0.00127   2.09322
   A163       2.08814  -0.00006   0.00006  -0.00121  -0.00114   2.08700
   A164       2.11961  -0.00008  -0.00000  -0.00068  -0.00069   2.11892
   A165       2.08678  -0.00012  -0.00007  -0.00035  -0.00041   2.08637
   A166       2.07677   0.00020   0.00007   0.00102   0.00109   2.07786
   A167       2.05606   0.00008   0.00002   0.00146   0.00147   2.05753
   A168       2.12162  -0.00009   0.00004  -0.00182  -0.00178   2.11983
   A169       2.10539   0.00001  -0.00005   0.00038   0.00033   2.10572
   A170       2.05272   0.00004  -0.00008   0.00286   0.00278   2.05551
   A171       2.12450  -0.00010   0.00000  -0.00125  -0.00124   2.12326
   A172       2.10586   0.00005   0.00007  -0.00166  -0.00158   2.10428
   A173       2.12112  -0.00007  -0.00003  -0.00066  -0.00069   2.12043
   A174       2.07617  -0.00002  -0.00006   0.00202   0.00197   2.07814
   A175       2.08587   0.00008   0.00008  -0.00135  -0.00126   2.08461
   A176       2.10378   0.00005   0.00005  -0.00049  -0.00046   2.10333
   A177       2.08698   0.00001  -0.00002   0.00025   0.00023   2.08721
   A178       2.09238  -0.00007  -0.00004   0.00030   0.00026   2.09265
   A179       2.07811   0.00001  -0.00006   0.00055   0.00049   2.07861
   A180       2.10105  -0.00007  -0.00009   0.00160   0.00151   2.10256
   A181       2.10397   0.00007   0.00014  -0.00220  -0.00206   2.10191
   A182       1.95681  -0.00057  -0.00067   0.01733   0.01664   1.97345
   A183       1.75865   0.00309   0.00158  -0.00409  -0.00247   1.75618
   A184       1.83017  -0.00267  -0.00044  -0.01509  -0.01549   1.81468
   A185       2.07836  -0.00134  -0.00011  -0.00505  -0.00517   2.07319
   A186       1.94558   0.00011   0.00008  -0.00814  -0.00799   1.93759
   A187       1.87088   0.00138  -0.00040   0.01405   0.01364   1.88453
   A188       2.06863   0.00087   0.00118  -0.00818  -0.00700   2.06163
   A189       2.29097  -0.00116  -0.00025   0.00729   0.00705   2.29801
   A190       1.88092  -0.00189  -0.00024  -0.00129  -0.00170   1.87922
   A191       1.87083  -0.00048   0.00007   0.01775   0.01774   1.88857
   A192       1.84755   0.00164   0.00015  -0.01008  -0.00987   1.83768
   A193       1.95658   0.00233  -0.00021   0.01265   0.01235   1.96893
   A194       1.97651  -0.00016   0.00003   0.00059   0.00063   1.97714
   A195       1.92448  -0.00152   0.00020  -0.01928  -0.01901   1.90547
   A196       1.90155  -0.00029  -0.00020   0.00079   0.00059   1.90214
   A197       1.94558  -0.00020   0.00004  -0.00075  -0.00071   1.94487
   A198       1.91045   0.00036  -0.00015   0.00437   0.00422   1.91467
   A199       1.88728   0.00025  -0.00006   0.00162   0.00156   1.88884
   A200       1.89686  -0.00015  -0.00008  -0.00193  -0.00201   1.89485
   A201       1.92128   0.00003   0.00043  -0.00414  -0.00371   1.91757
   A202       1.87794  -0.00027   0.00009  -0.00212  -0.00203   1.87591
   A203       1.90511  -0.00044  -0.00014  -0.00003  -0.00017   1.90494
   A204       1.90040   0.00019  -0.00008   0.00187   0.00178   1.90218
   A205       1.93508   0.00067   0.00024   0.00040   0.00064   1.93571
   A206       1.94130  -0.00000   0.00001  -0.00133  -0.00132   1.93997
   A207       1.90333  -0.00017  -0.00012   0.00123   0.00111   1.90444
   A208       1.91843  -0.00039  -0.00025   0.00066   0.00041   1.91884
   A209       1.92056   0.00027  -0.00004   0.00345   0.00341   1.92397
   A210       1.94601  -0.00013   0.00019  -0.00443  -0.00423   1.94178
   A211       1.89065   0.00010   0.00008  -0.00017  -0.00010   1.89055
   A212       1.89126   0.00023  -0.00017   0.00279   0.00263   1.89389
   A213       1.89577  -0.00008   0.00018  -0.00225  -0.00206   1.89371
   A214       2.15295   0.00599  -0.00087   0.06330   0.06243   2.21538
    D1       -0.00807   0.00013  -0.00021   0.00672   0.00651  -0.00156
    D2        3.10471   0.00022   0.00034   0.00864   0.00898   3.11369
    D3        3.12415   0.00012  -0.00019   0.00890   0.00871   3.13286
    D4       -0.04625   0.00021   0.00036   0.01082   0.01118  -0.03507
    D5        0.00547  -0.00034  -0.00023  -0.00765  -0.00789  -0.00242
    D6        3.12770  -0.00008   0.00013  -0.00425  -0.00412   3.12358
    D7       -3.12677  -0.00032  -0.00025  -0.00988  -0.01012  -3.13690
    D8       -0.00454  -0.00006   0.00012  -0.00648  -0.00636  -0.01090
    D9        2.28028  -0.00082   0.00033  -0.05655  -0.05622   2.22406
   D10       -0.89460  -0.00065   0.00041  -0.05347  -0.05306  -0.94766
   D11       -0.87072  -0.00084   0.00035  -0.05435  -0.05400  -0.92472
   D12        2.23760  -0.00067   0.00043  -0.05127  -0.05084   2.18675
   D13        0.00650   0.00031   0.00052   0.00451   0.00503   0.01153
   D14       -3.05886  -0.00010   0.00006   0.00351   0.00359  -3.05527
   D15       -3.10542   0.00023  -0.00004   0.00255   0.00250  -3.10292
   D16        0.11240  -0.00018  -0.00050   0.00155   0.00106   0.11347
   D17       -0.00240  -0.00054  -0.00041  -0.01481  -0.01522  -0.01762
   D18        3.11543  -0.00026  -0.00002  -0.01344  -0.01343   3.10200
   D19        3.06581  -0.00016   0.00004  -0.01375  -0.01373   3.05208
   D20       -0.09954   0.00012   0.00043  -0.01238  -0.01194  -0.11148
   D21       -3.13579   0.00082  -0.00033   0.02759   0.02728  -3.10851
   D22        0.04731   0.00069  -0.00080   0.03365   0.03285   0.08016
   D23        0.08222   0.00041  -0.00080   0.02668   0.02592   0.10815
   D24       -3.01787   0.00029  -0.00127   0.03274   0.03150  -2.98637
   D25       -0.00004   0.00034  -0.00002   0.01413   0.01413   0.01409
   D26        3.13412   0.00024  -0.00000   0.00737   0.00739   3.14151
   D27       -3.11814   0.00008  -0.00040   0.01275   0.01234  -3.10580
   D28        0.01602  -0.00003  -0.00038   0.00600   0.00560   0.02162
   D29       -0.11687   0.00022   0.00050  -0.01275  -0.01230  -0.12917
   D30        3.00112  -0.00144   0.00064  -0.04296  -0.04242   2.95870
   D31        3.00108   0.00049   0.00088  -0.01136  -0.01049   2.99059
   D32       -0.16412  -0.00116   0.00102  -0.04156  -0.04062  -0.20473
   D33       -0.00146   0.00011   0.00035  -0.00275  -0.00241  -0.00387
   D34       -3.12354  -0.00016  -0.00002  -0.00618  -0.00620  -3.12974
   D35       -3.13544   0.00021   0.00033   0.00417   0.00449  -3.13095
   D36        0.02567  -0.00005  -0.00004   0.00074   0.00070   0.02637
   D37        0.15446  -0.00081   0.00024  -0.01481  -0.01457   0.13989
   D38       -2.92482  -0.00120  -0.00046  -0.01321  -0.01371  -2.93852
   D39       -3.02747  -0.00062   0.00070  -0.02055  -0.01982  -3.04729
   D40        0.17644  -0.00101   0.00001  -0.01895  -0.01895   0.15748
   D41        3.01213   0.00079   0.00041   0.00228   0.00268   3.01480
   D42       -0.15375   0.00073   0.00019   0.00629   0.00647  -0.14728
   D43       -0.08867   0.00063  -0.00006   0.00821   0.00812  -0.08055
   D44        3.02864   0.00058  -0.00028   0.01222   0.01192   3.04056
   D45       -0.36834   0.00035   0.00064  -0.01037  -0.00975  -0.37809
   D46        2.86996   0.00115  -0.00012   0.03387   0.03362   2.90357
   D47        2.70846   0.00096   0.00137  -0.01156  -0.01016   2.69830
   D48       -0.33643   0.00176   0.00061   0.03268   0.03321  -0.30322
   D49       -0.12777   0.00084   0.00009   0.01475   0.01487  -0.11290
   D50        2.96118   0.00112   0.00072   0.01601   0.01677   2.97795
   D51        3.07768   0.00033  -0.00063   0.01607   0.01542   3.09310
   D52       -0.11656   0.00060   0.00000   0.01733   0.01732  -0.09924
   D53        0.34947  -0.00018  -0.00101   0.02373   0.02274   0.37221
   D54       -2.76734   0.00149  -0.00117   0.05536   0.05415  -2.71319
   D55       -2.88317  -0.00160  -0.00035  -0.01813  -0.01849  -2.90166
   D56        0.28320   0.00006  -0.00051   0.01350   0.01292   0.29612
   D57        2.83103   0.00022   0.00034  -0.01386  -0.01347   2.81756
   D58       -0.75228   0.00431   0.00187  -0.00361  -0.00171  -0.75399
   D59       -0.21387   0.00116  -0.00040   0.03065   0.03030  -0.18357
   D60        2.48600   0.00525   0.00113   0.04090   0.04206   2.52806
   D61        3.03326   0.00122   0.00048  -0.00113  -0.00051   3.03275
   D62       -0.13283  -0.00049   0.00064  -0.03251  -0.03183  -0.16466
   D63       -0.05444   0.00028   0.00002   0.00795   0.00797  -0.04648
   D64        3.11547   0.00023   0.00016   0.00226   0.00240   3.11787
   D65        3.11102   0.00033   0.00024   0.00398   0.00422   3.11524
   D66       -0.00225   0.00028   0.00038  -0.00171  -0.00134  -0.00360
   D67        0.10736  -0.00044   0.00008  -0.01242  -0.01233   0.09503
   D68       -3.01380  -0.00041   0.00026  -0.01276  -0.01249  -3.02629
   D69       -3.06209  -0.00043  -0.00006  -0.00664  -0.00671  -3.06880
   D70        0.09994  -0.00039   0.00011  -0.00698  -0.00687   0.09307
   D71       -2.36869   0.00048   0.00009   0.02288   0.02296  -2.34573
   D72        0.74628   0.00050  -0.00024   0.03104   0.03080   0.77709
   D73        0.80133   0.00044   0.00023   0.01706   0.01730   0.81863
   D74       -2.36688   0.00046  -0.00009   0.02522   0.02514  -2.34174
   D75       -0.01512  -0.00026  -0.00015   0.00068   0.00055  -0.01458
   D76       -3.10467  -0.00048  -0.00076  -0.00072  -0.00146  -3.10613
   D77        3.10588  -0.00029  -0.00032   0.00101   0.00069   3.10657
   D78        0.01633  -0.00052  -0.00093  -0.00040  -0.00132   0.01502
   D79        0.02435  -0.00161   0.00106  -0.05280  -0.05170  -0.02736
   D80       -3.06251  -0.00040   0.00079  -0.02265  -0.02184  -3.08435
   D81       -2.66588  -0.00096  -0.00008  -0.05923  -0.05930  -2.72518
   D82        0.53045   0.00025  -0.00035  -0.02909  -0.02944   0.50100
   D83       -0.09152   0.00212  -0.00168   0.10098   0.09938   0.00785
   D84       -2.32003   0.00202  -0.00222   0.10020   0.09802  -2.22201
   D85        2.02222   0.00024  -0.00221   0.09113   0.08891   2.11112
   D86        2.60251   0.00299  -0.00050   0.10883   0.10835   2.71087
   D87        0.37401   0.00289  -0.00103   0.10806   0.10699   0.48100
   D88       -1.56693   0.00111  -0.00103   0.09899   0.09788  -1.46905
   D89        0.13036   0.00034  -0.00106   0.03505   0.03395   0.16431
   D90       -3.05514   0.00093  -0.00066   0.03912   0.03844  -3.01670
   D91       -3.06266  -0.00071  -0.00080   0.00673   0.00593  -3.05673
   D92        0.03503  -0.00013  -0.00039   0.01081   0.01041   0.04545
   D93        3.07063  -0.00092  -0.00036  -0.02541  -0.02578   3.04485
   D94       -0.11993  -0.00073   0.00100  -0.03200  -0.03101  -0.15094
   D95       -0.01682   0.00031  -0.00063   0.00440   0.00375  -0.01307
   D96        3.07581   0.00051   0.00073  -0.00220  -0.00148   3.07433
   D97       -0.07428   0.00090   0.00019   0.00861   0.00884  -0.06544
   D98        3.10995   0.00033  -0.00021   0.00480   0.00461   3.11456
   D99       -0.03026  -0.00012   0.00106  -0.01754  -0.01650  -0.04676
   D100       3.11668  -0.00015  -0.00003  -0.00265  -0.00267   3.11401
   D101       3.06944   0.00051   0.00145  -0.01365  -0.01221   3.05723
   D102      -0.06681   0.00047   0.00036   0.00124   0.00162  -0.06519
   D103      -0.00689  -0.00028   0.00103  -0.01366  -0.01263  -0.01951
   D104       3.10179   0.00005   0.00090  -0.00217  -0.00126   3.10053
   D105      -3.10107  -0.00049  -0.00028  -0.00724  -0.00754  -3.10861
   D106       0.00760  -0.00016  -0.00041   0.00425   0.00384   0.01144
   D107       0.01259   0.00004  -0.00036   0.00711   0.00675   0.01934
   D108       3.12209   0.00026  -0.00038   0.01004   0.00966   3.13175
   D109      -3.09609  -0.00029  -0.00023  -0.00442  -0.00464  -3.10073
   D110       0.01341  -0.00008  -0.00025  -0.00148  -0.00173   0.01167
   D111       0.00606   0.00016  -0.00068   0.00842   0.00774   0.01380
   D112      -3.14114   0.00020   0.00048  -0.00717  -0.00668   3.13537
   D113      -3.10294  -0.00007  -0.00066   0.00555   0.00489  -3.09805
   D114       0.03305  -0.00003   0.00050  -0.01004  -0.00954   0.02352
   D115      -2.31812   0.00061  -0.00012   0.04625   0.04613  -2.27199
   D116       0.86530   0.00049   0.00004   0.04094   0.04097   0.90627
   D117       0.79035   0.00085  -0.00014   0.04920   0.04906   0.83941
   D118      -2.30942   0.00072   0.00002   0.04389   0.04391  -2.26551
   D119       3.12070   0.00001  -0.00016   0.00323   0.00307   3.12377
   D120      -0.08037   0.00023  -0.00018   0.01026   0.01008  -0.07030
   D121       0.00749  -0.00012  -0.00022   0.00048   0.00026   0.00775
   D122       3.08960   0.00009  -0.00024   0.00750   0.00727   3.09687
   D123      -3.11866  -0.00004   0.00006  -0.00230  -0.00225  -3.12091
   D124      -0.04850   0.00029  -0.00020   0.01157   0.01136  -0.03714
   D125      -0.00554   0.00012   0.00013   0.00030   0.00043  -0.00511
   D126       3.06463   0.00045  -0.00013   0.01417   0.01403   3.07866
   D127       3.12661   0.00009   0.00009   0.00218   0.00225   3.12886
   D128       0.05764   0.00001   0.00019  -0.00376  -0.00359   0.05405
   D129       0.00738   0.00011   0.00037  -0.00476  -0.00439   0.00299
   D130      -3.06160   0.00002   0.00048  -0.01070  -0.01023  -3.07183
   D131      -3.12747  -0.00016  -0.00008  -0.00246  -0.00255  -3.13003
   D132       0.08557  -0.00034   0.00030  -0.01198  -0.01171   0.07386
   D133      -0.00890  -0.00011  -0.00035   0.00456   0.00420  -0.00470
   D134      -3.07905  -0.00028   0.00002  -0.00497  -0.00495  -3.08400
   D135      -3.11079  -0.00018   0.00014  -0.00617  -0.00604  -3.11682
   D136       0.10556  -0.00051   0.00033  -0.02328  -0.02299   0.08258
   D137      -0.00488  -0.00008   0.00001  -0.00171  -0.00170  -0.00658
   D138      -3.07171  -0.00041   0.00020  -0.01882  -0.01865  -3.09036
   D139       3.10938   0.00018  -0.00009   0.00652   0.00642   3.11580
   D140       0.02011   0.00003   0.00003   0.00029   0.00029   0.02040
   D141       0.00348   0.00008   0.00005   0.00187   0.00192   0.00540
   D142      -3.08579  -0.00008   0.00016  -0.00436  -0.00421  -3.08999
   D143      -0.00304  -0.00006  -0.00024   0.00311   0.00288  -0.00017
   D144      -3.11321  -0.00016  -0.00000  -0.00348  -0.00348  -3.11670
   D145       3.07266   0.00009  -0.00033   0.00867   0.00833   3.08099
   D146      -0.03751  -0.00001  -0.00010   0.00207   0.00197  -0.03555
   D147       3.10078   0.00009  -0.00014   0.00477   0.00463   3.10541
   D148      -0.01508   0.00006   0.00001   0.00027   0.00029  -0.01480
   D149       0.03993  -0.00003  -0.00002  -0.00204  -0.00205   0.03788
   D150      -3.07594  -0.00006   0.00013  -0.00653  -0.00639  -3.08233
   D151      -0.00239  -0.00000   0.00002  -0.00031  -0.00029  -0.00268
   D152       3.10773   0.00017   0.00011   0.00725   0.00735   3.11508
   D153       3.10174   0.00012  -0.00026   0.00760   0.00733   3.10907
   D154      -0.07133   0.00029  -0.00017   0.01516   0.01497  -0.05636
   D155       0.00781   0.00003  -0.00022   0.00263   0.00241   0.01022
   D156       3.13988   0.00002  -0.00027   0.00156   0.00129   3.14117
   D157      -3.09257  -0.00009   0.00008  -0.00599  -0.00591  -3.09849
   D158       0.03949  -0.00011   0.00003  -0.00706  -0.00703   0.03246
   D159       0.00695   0.00007   0.00021  -0.00260  -0.00239   0.00456
   D160       3.08444   0.00018  -0.00013   0.00604   0.00590   3.09034
   D161      -3.10813  -0.00008   0.00013  -0.00895  -0.00882  -3.11695
   D162      -0.03064   0.00003  -0.00021  -0.00031  -0.00053  -0.03117
   D163      -3.10355  -0.00015   0.00013  -0.00811  -0.00797  -3.11152
   D164       0.03635  -0.00020  -0.00004  -0.00911  -0.00915   0.02721
   D165       0.00338   0.00004   0.00023   0.00021   0.00044   0.00383
   D166      -3.13990  -0.00001   0.00006  -0.00080  -0.00074  -3.14064
   D167       3.09928   0.00010  -0.00055   0.01161   0.01106   3.11034
   D168      -0.03885   0.00021   0.00029   0.01295   0.01324  -0.02561
   D169       0.03684  -0.00008  -0.00013   0.00095   0.00083   0.03767
   D170      -3.10129   0.00002   0.00071   0.00229   0.00301  -3.09828
   D171      -0.00647   0.00009   0.00022  -0.00104  -0.00082  -0.00729
   D172       3.12873  -0.00003   0.00015  -0.00719  -0.00704   3.12169
   D173      -3.09411  -0.00012   0.00023  -0.00740  -0.00717  -3.10128
   D174       0.04108  -0.00024   0.00016  -0.01355  -0.01339   0.02770
   D175      -3.11620  -0.00001   0.00022   0.00125   0.00148  -3.11472
   D176       0.00782   0.00005  -0.00009   0.00729   0.00721   0.01503
   D177      -0.04070   0.00024   0.00021   0.00921   0.00941  -0.03130
   D178       3.08332   0.00030  -0.00011   0.01525   0.01514   3.09845
   D179       0.00303  -0.00001  -0.00014   0.00120   0.00105   0.00407
   D180      -3.10785  -0.00015   0.00003  -0.00616  -0.00615  -3.11400
   D181      -3.13090   0.00013  -0.00006   0.00855   0.00848  -3.12243
   D182       0.04141  -0.00001   0.00011   0.00119   0.00128   0.04269
   D183      -0.01267   0.00008  -0.00045   0.00901   0.00857  -0.00410
   D184       3.14123   0.00002   0.00003  -0.00078  -0.00074   3.14049
   D185       3.12050  -0.00008  -0.00054   0.00091   0.00037   3.12087
   D186      -0.00879  -0.00014  -0.00006  -0.00888  -0.00895  -0.01773
   D187       0.00151  -0.00006   0.00001  -0.00093  -0.00092   0.00059
   D188      -3.07568  -0.00033   0.00024  -0.01337  -0.01314  -3.08882
   D189       3.11741   0.00006  -0.00014   0.00526   0.00513   3.12254
   D190       0.04022  -0.00021   0.00009  -0.00718  -0.00710   0.03313
   D191       3.09114   0.00028   0.00029   0.00645   0.00676   3.09790
   D192      -0.03869   0.00018  -0.00023   0.00932   0.00910  -0.02960
   D193      -0.01667   0.00013   0.00048  -0.00162  -0.00114  -0.01781
   D194       3.13669   0.00003  -0.00005   0.00124   0.00120   3.13789
   D195      -3.09680  -0.00024  -0.00031  -0.00458  -0.00486  -3.10166
   D196       0.02514  -0.00010   0.00016  -0.00449  -0.00431   0.02083
   D197      -0.03443   0.00014  -0.00059   0.01091   0.01032  -0.02411
   D198       3.08751   0.00028  -0.00012   0.01100   0.01087   3.09838
   D199       0.00434   0.00005  -0.00007   0.00090   0.00083   0.00517
   D200      -3.11538  -0.00003   0.00025  -0.00361  -0.00336  -3.11874
   D201       3.07823   0.00035  -0.00025   0.01664   0.01637   3.09460
   D202      -0.04149   0.00027   0.00007   0.01213   0.01218  -0.02931
   D203       3.09540   0.00019   0.00059   0.00274   0.00332   3.09873
   D204      -0.03112   0.00007  -0.00012   0.00636   0.00624  -0.02488
   D205       0.03690  -0.00018   0.00080  -0.01650  -0.01568   0.02121
   D206      -3.08963  -0.00030   0.00009  -0.01287  -0.01277  -3.10239
   D207      -0.00218  -0.00000   0.00010   0.00025   0.00035  -0.00183
   D208       3.13374  -0.00016   0.00021  -0.01078  -0.01057   3.12317
   D209       3.11331   0.00009  -0.00028   0.00566   0.00536   3.11867
   D210      -0.03396  -0.00007  -0.00017  -0.00538  -0.00556  -0.03951
   D211       0.01632  -0.00017  -0.00114   0.00245   0.00131   0.01763
   D212      -3.13667  -0.00005  -0.00008  -0.00285  -0.00293  -3.13961
   D213      -3.09656  -0.00028  -0.00072  -0.00346  -0.00418  -3.10074
   D214       0.03364  -0.00015   0.00034  -0.00877  -0.00843   0.02521
   D215      -0.00079  -0.00004  -0.00009  -0.00130  -0.00139  -0.00218
   D216       3.09362   0.00010  -0.00019   0.00436   0.00417   3.09779
   D217      -3.13763   0.00009  -0.00019   0.00793   0.00773  -3.12990
   D218      -0.04323   0.00023  -0.00028   0.01359   0.01329  -0.02994
   D219      -3.11951   0.00006   0.00021   0.00389   0.00409  -3.11542
   D220       0.00821   0.00016   0.00038   0.00932   0.00971   0.01791
   D221       0.01584  -0.00011   0.00033  -0.00826  -0.00794   0.00791
   D222      -3.13963  -0.00001   0.00050  -0.00282  -0.00232   3.14124
   D223       3.12417  -0.00002   0.00004  -0.00390  -0.00386   3.12031
   D224      -0.00044  -0.00008  -0.00004  -0.00502  -0.00507  -0.00550
   D225       0.04060  -0.00020   0.00017  -0.01092  -0.01075   0.02985
   D226      -3.08401  -0.00025   0.00008  -0.01204  -0.01195  -3.09596
   D227       0.01624  -0.00004   0.00008  -0.00073  -0.00064   0.01560
   D228      -3.13445  -0.00001  -0.00034   0.00309   0.00275  -3.13170
   D229      -3.12366   0.00001   0.00026   0.00028   0.00054  -3.12312
   D230       0.00883   0.00004  -0.00017   0.00410   0.00393   0.01276
   D231      -0.00953  -0.00002  -0.00044   0.00141   0.00097  -0.00856
   D232       3.13326  -0.00002  -0.00046   0.00180   0.00134   3.13460
   D233       3.14115  -0.00005  -0.00001  -0.00240  -0.00241   3.13874
   D234       0.00076  -0.00006  -0.00004  -0.00201  -0.00205  -0.00129
   D235      -0.01694   0.00009   0.00045  -0.00152  -0.00107  -0.01801
   D236       3.12123  -0.00001  -0.00038  -0.00284  -0.00322   3.11801
   D237       3.12346   0.00009   0.00048  -0.00191  -0.00144   3.12202
   D238      -0.02155  -0.00001  -0.00035  -0.00323  -0.00358  -0.02514
   D239      -0.01397   0.00004   0.00046  -0.00273  -0.00227  -0.01623
   D240       3.13943   0.00001   0.00033  -0.00059  -0.00026   3.13917
   D241       3.10216   0.00008   0.00032   0.00168   0.00200   3.10416
   D242      -0.02763   0.00005   0.00019   0.00382   0.00401  -0.02362
   D243      -0.01468  -0.00003  -0.00080   0.00743   0.00663  -0.00805
   D244      -3.13984  -0.00003  -0.00006  -0.00073  -0.00079  -3.14063
   D245       3.11503  -0.00000  -0.00067   0.00526   0.00460   3.11962
   D246      -0.01013  -0.00001   0.00007  -0.00290  -0.00283  -0.01296
   D247       0.01757  -0.00001   0.00066  -0.00724  -0.00658   0.01099
   D248      -3.11447   0.00001   0.00071  -0.00619  -0.00548  -3.11995
   D249      -3.14050  -0.00000  -0.00008   0.00094   0.00086  -3.13963
   D250       0.01064   0.00001  -0.00003   0.00199   0.00196   0.01261
   D251      -0.01094   0.00001  -0.00054   0.00632   0.00577  -0.00517
   D252      -3.14158  -0.00005  -0.00019   0.00214   0.00194  -3.13964
   D253       3.11885   0.00011  -0.00001   0.00347   0.00346   3.12231
   D254      -0.01179   0.00005   0.00034  -0.00071  -0.00037  -0.01216
   D255       0.01653  -0.00007   0.00003  -0.00241  -0.00238   0.01415
   D256      -3.11357  -0.00012   0.00055  -0.00623  -0.00568  -3.11925
   D257      -3.13599  -0.00002  -0.00031   0.00174   0.00142  -3.13456
   D258       0.01710  -0.00006   0.00020  -0.00208  -0.00188   0.01522
   D259       0.00621  -0.00000   0.00053  -0.00614  -0.00561   0.00059
   D260      -3.11585  -0.00014   0.00006  -0.00620  -0.00613  -3.12198
   D261       3.13635   0.00004   0.00002  -0.00235  -0.00233   3.13402
   D262       0.01430  -0.00009  -0.00045  -0.00241  -0.00285   0.01144
   D263       0.01328  -0.00008  -0.00030  -0.00063  -0.00093   0.01234
   D264      -3.13837  -0.00004  -0.00021   0.00078   0.00057  -3.13780
   D265      -3.11089  -0.00014   0.00001  -0.00663  -0.00662  -3.11751
   D266       0.02065  -0.00009   0.00010  -0.00522  -0.00512   0.01553
   D267       0.01403  -0.00007   0.00002  -0.00355  -0.00354   0.01049
   D268      -3.13453  -0.00010  -0.00002  -0.00564  -0.00566  -3.14020
   D269      -3.11746  -0.00011  -0.00007  -0.00501  -0.00508  -3.12254
   D270       0.01716  -0.00014  -0.00010  -0.00710  -0.00720   0.00996
   D271      -0.01410   0.00007   0.00036  -0.00075  -0.00039  -0.01449
   D272       3.11516   0.00013  -0.00012   0.00906   0.00895   3.12410
   D273       3.13447   0.00010   0.00040   0.00135   0.00174   3.13622
   D274      -0.01945   0.00016  -0.00008   0.01115   0.01108  -0.00838
   D275       0.01224  -0.00003  -0.00027   0.00095   0.00068   0.01292
   D276      -3.13570  -0.00006   0.00032  -0.00499  -0.00467  -3.14037
   D277      -3.11545  -0.00012  -0.00044  -0.00454  -0.00497  -3.12042
   D278       0.01980  -0.00016   0.00015  -0.01048  -0.01032   0.00948
   D279      -0.01448   0.00006   0.00016   0.00156   0.00172  -0.01276
   D280       3.11992   0.00007   0.00050  -0.00038   0.00013   3.12005
   D281       3.13345   0.00010  -0.00043   0.00747   0.00704   3.14049
   D282      -0.01534   0.00011  -0.00008   0.00554   0.00546  -0.00989
   D283      -0.01191   0.00005  -0.00010   0.00336   0.00326  -0.00865
   D284       3.11287   0.00010  -0.00002   0.00444   0.00443   3.11730
   D285       3.13685   0.00004  -0.00045   0.00529   0.00485  -3.14149
   D286      -0.02157   0.00010  -0.00036   0.00637   0.00602  -0.01555
   D287      -0.00842   0.00000  -0.00062   0.00680   0.00619  -0.00223
   D288       3.14015  -0.00004  -0.00023   0.00315   0.00292  -3.14012
   D289       3.11827   0.00012   0.00008   0.00322   0.00331   3.12158
   D290      -0.01635   0.00008   0.00047  -0.00043   0.00004  -0.01631
   D291      -0.01574   0.00009  -0.00045   0.00734   0.00690  -0.00884
   D292       3.13571   0.00003   0.00010   0.00006   0.00016   3.13587
   D293       3.11884   0.00013  -0.00084   0.01102   0.01019   3.12903
   D294      -0.01289   0.00007  -0.00029   0.00374   0.00346  -0.00944
   D295       0.01148  -0.00000   0.00133  -0.01189  -0.01057   0.00091
   D296      -3.11870  -0.00012   0.00026  -0.00661  -0.00635  -3.12505
   D297      -3.14001   0.00006   0.00078  -0.00459  -0.00381   3.13937
   D298       0.01300  -0.00006  -0.00029   0.00070   0.00041   0.01341
   D299       2.08410   0.00095   0.00236   0.01380   0.01615   2.10026
   D300      -0.06218   0.00004   0.00203  -0.00231  -0.00025  -0.06244
   D301      -2.28976  -0.00032   0.00238   0.00007   0.00244  -2.28732
   D302       1.29550   0.00219   0.00039   0.01754   0.01785   1.31335
   D303      -2.86656  -0.00011  -0.00064   0.02456   0.02398  -2.84258
   D304      -0.56363  -0.00068  -0.00104   0.02296   0.02195  -0.54168
   D305      -2.64619   0.00446  -0.00191   0.20330   0.20138  -2.44481
   D306      -0.53701   0.00591  -0.00225   0.22749   0.22529  -0.31172
   D307       1.51716   0.00474  -0.00190   0.20882   0.20688   1.72405
   D308       2.97208  -0.00073   0.00093  -0.05264  -0.05170   2.92037
   D309      -1.20995  -0.00033   0.00120  -0.05342  -0.05223  -1.26217
   D310       0.86613  -0.00068   0.00092  -0.05086  -0.04994   0.81619
   D311      -2.97076  -0.00071   0.00025  -0.01029  -0.01003  -2.98078
   D312      -0.88938  -0.00072   0.00007  -0.00824  -0.00815  -0.89753
   D313       1.24039  -0.00057   0.00054  -0.01097  -0.01042   1.22997
   D314       1.25785  -0.00028   0.00043  -0.03846  -0.03804   1.21981
   D315      -2.94395  -0.00028   0.00025  -0.03641  -0.03617  -2.98012
   D316      -0.81419  -0.00013   0.00072  -0.03915  -0.03843  -0.85262
   D317      -0.93328   0.00000   0.00030  -0.02318  -0.02287  -0.95615
   D318       1.14810  -0.00000   0.00013  -0.02113  -0.02100   1.12710
   D319      -3.00532   0.00015   0.00060  -0.02386  -0.02326  -3.02858
   D320      -1.07178   0.00381   0.00099   0.22524   0.22608  -0.84570
   D321       0.98880   0.00253   0.00062   0.24193   0.24267   1.23147
   D322      -3.07504   0.00291   0.00066   0.23725   0.23793  -2.83711
   D323      -2.86367  -0.00081   0.00075  -0.05706  -0.05630  -2.91997
   D324      -0.78290  -0.00076   0.00067  -0.05472  -0.05405  -0.83694
   D325       1.32185  -0.00077   0.00100  -0.05813  -0.05713   1.26473
   D326       1.33738  -0.00050   0.00073  -0.05594  -0.05522   1.28217
   D327      -2.86503  -0.00045   0.00065  -0.05361  -0.05296  -2.91799
   D328      -0.76028  -0.00045   0.00098  -0.05702  -0.05604  -0.81632
   D329      -0.78367  -0.00075   0.00071  -0.05687  -0.05616  -0.83983
   D330       1.29711  -0.00069   0.00063  -0.05454  -0.05390   1.24320
   D331      -2.88133  -0.00070   0.00096  -0.05795  -0.05698  -2.93831
         Item               Value     Threshold  Converged?
 Maximum Force            0.010398     0.000450     NO 
 RMS     Force            0.001087     0.000300     NO 
 Maximum Displacement     2.101661     0.001800     NO 
 RMS     Displacement     0.196604     0.001200     NO 
 Predicted change in Energy=-7.162752D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.474563    3.269236    0.001881
      2          6           0       -2.686764    1.893359    0.004948
      3          6           0       -1.612847    0.989271   -0.066600
      4          6           0       -0.302708    1.506822   -0.128020
      5          6           0       -0.096455    2.894474   -0.138284
      6          6           0       -1.163038    3.770253   -0.072151
      7          6           0       -1.805648   -0.460649   -0.171919
      8          6           0       -0.676688   -1.333423   -0.200510
      9          6           0        0.639657   -0.807126    0.047238
     10          6           0        0.849372    0.610981   -0.153787
     11          6           0       -3.083233   -1.022251   -0.302737
     12          6           0       -3.267568   -2.382299   -0.552331
     13          6           0       -2.139966   -3.207300   -0.733171
     14          6           0       -0.879602   -2.687898   -0.550752
     15          7           0        1.737384   -1.594617    0.307033
     16          6           0        3.012679   -1.029105    0.141637
     17          6           0        3.110270    0.314999   -0.317383
     18          7           0        2.029318    1.121920   -0.420549
     19          6           0        4.212343   -1.748339    0.310533
     20          6           0        5.438378   -1.178083    0.026878
     21          6           0        5.535056    0.143723   -0.466860
     22          6           0        4.370197    0.866953   -0.639260
     23          7           0       -3.568149    4.165649    0.063906
     24          7           0       -4.551306   -2.942557   -0.654185
     25          7           0        6.803414    0.703763   -0.736402
     26          6           0       -4.952102   -4.139675   -0.031907
     27          6           0       -6.310366   -4.385495   -0.340567
     28          6           0       -6.756266   -3.296510   -1.183581
     29          6           0       -5.654525   -2.423854   -1.355648
     30          6           0       -3.712628    5.212992    0.984092
     31          6           0       -4.921276    5.900519    0.717072
     32          6           0       -5.532071    5.247929   -0.420605
     33          6           0       -4.672387    4.185049   -0.797123
     34          6           0        7.265630    1.954871   -0.296194
     35          6           0        8.571114    2.165396   -0.801843
     36          6           0        8.914147    0.999264   -1.586323
     37          6           0        7.803651    0.120838   -1.526236
     38          6           0       -7.972571   -3.013479   -1.812434
     39          6           0       -8.076708   -1.875384   -2.603809
     40          6           0       -6.970589   -1.031479   -2.784783
     41          6           0       -5.746229   -1.297288   -2.175688
     42          6           0       -4.237864   -4.973971    0.830282
     43          6           0       -4.896534   -6.088952    1.343733
     44          6           0       -6.236686   -6.360413    1.026429
     45          6           0       -6.950749   -5.508950    0.190260
     46          6           0       -6.699953    5.484888   -1.152601
     47          6           0       -6.985422    4.683169   -2.253110
     48          6           0       -6.109598    3.652126   -2.629590
     49          6           0       -4.946057    3.388759   -1.911893
     50          6           0       -2.895613    5.564287    2.060668
     51          6           0       -3.291000    6.644042    2.846026
     52          6           0       -4.475490    7.351171    2.581662
     53          6           0       -5.298540    6.978860    1.524662
     54          6           0       10.040278    0.640758   -2.333615
     55          6           0       10.045544   -0.571868   -3.014310
     56          6           0        8.928367   -1.420665   -2.965977
     57          6           0        7.794062   -1.086529   -2.229220
     58          6           0        6.656740    2.880492    0.554627
     59          6           0        7.367368    4.036247    0.871751
     60          6           0        8.653595    4.269744    0.360273
     61          6           0        9.260606    3.339045   -0.475703
     62          8           0        0.120094   -3.114106    1.971582
     63         15           0        1.496168   -3.009201    1.471072
     64          8           0        2.664550   -2.739295    2.504335
     65          8           0        1.893272   -4.302257    0.598899
     66          6           0        2.301823   -2.522524    3.935280
     67          6           0        3.185396   -1.420906    4.470361
     68          6           0        3.177326   -4.822050    0.178050
     69          6           0        2.949869   -6.228188   -0.348687
     70          1           0       -3.704866    1.540103    0.089380
     71          1           0        0.920125    3.262574   -0.185845
     72          1           0       -0.997831    4.841695   -0.091533
     73          1           0       -3.959800   -0.401364   -0.191510
     74          1           0       -2.272122   -4.239987   -1.033005
     75          1           0       -0.028026   -3.331115   -0.727650
     76          1           0        4.206472   -2.746562    0.712961
     77          1           0        6.344026   -1.745704    0.204103
     78          1           0        4.384149    1.884201   -1.008252
     79          1           0       -8.823632   -3.675842   -1.686108
     80          1           0       -9.018250   -1.639523   -3.090040
     81          1           0       -7.067572   -0.149623   -3.411827
     82          1           0       -4.897838   -0.646713   -2.344370
     83          1           0       -3.210680   -4.756789    1.111561
     84          1           0       -4.358804   -6.752168    2.014277
     85          1           0       -6.719526   -7.237926    1.445002
     86          1           0       -7.993335   -5.708139   -0.039117
     87          1           0       -7.370162    6.295117   -0.872235
     88          1           0       -7.888416    4.859778   -2.829277
     89          1           0       -6.338500    3.049756   -3.504216
     90          1           0       -4.268087    2.602422   -2.221740
     91          1           0       -1.990348    5.014091    2.289995
     92          1           0       -2.671653    6.940056    3.687120
     93          1           0       -4.753265    8.189101    3.213384
     94          1           0       -6.222883    7.514568    1.328967
     95          1           0       10.898317    1.304786   -2.388530
     96          1           0       10.914149   -0.862154   -3.596978
     97          1           0        8.941301   -2.354910   -3.519761
     98          1           0        6.930363   -1.739952   -2.218535
     99          1           0        5.672671    2.706894    0.972466
    100          1           0        6.914659    4.769213    1.532334
    101          1           0        9.177377    5.183585    0.623393
    102          1           0       10.261976    3.513941   -0.858378
    103          1           0        1.236704   -2.273924    3.984314
    104          1           0        2.468671   -3.486774    4.424500
    105          1           0        3.055291   -1.355364    5.555647
    106          1           0        4.242813   -1.619680    4.263430
    107          1           0        2.893471   -0.466760    4.026959
    108          1           0        3.588199   -4.174645   -0.602102
    109          1           0        3.857959   -4.826673    1.035293
    110          1           0        3.908783   -6.742122   -0.466934
    111          1           0        2.337521   -6.800472    0.353241
    112          1           0        2.443311   -6.211449   -1.317222
    113         17           0       -0.095421   -0.419798    2.462047
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0366026           0.0182521           0.0137924
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10709.3155410093 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  1.88D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999966   -0.003788    0.007027   -0.002121 Ang=  -0.95 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.45121129     A.U. after   16 cycles
            NFock= 16  Conv=0.60D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.002728386    0.001119503   -0.000548267
      2        6           0.000541763   -0.001388819    0.000522163
      3        6          -0.002146003    0.001595707   -0.001065748
      4        6          -0.001724324    0.001249945   -0.000276253
      5        6           0.000662835   -0.000585103    0.000880372
      6        6          -0.001248843    0.001628683   -0.000667089
      7        6          -0.000910700   -0.005951429   -0.004701408
      8        6          -0.010440434   -0.009834141   -0.015877278
      9        6          -0.005280844   -0.000808869    0.025363614
     10        6           0.003959100    0.010838682   -0.013464507
     11        6           0.001614575    0.002400519   -0.000032602
     12        6           0.006826960   -0.002733158   -0.001931201
     13        6          -0.006230561    0.000453713   -0.000730463
     14        6           0.003609998    0.007314042   -0.000233700
     15        7           0.002548922   -0.007450043   -0.002186592
     16        6           0.005920980    0.001267268   -0.005314908
     17        6           0.012361291   -0.006969119   -0.000344383
     18        7          -0.014263101    0.001202936    0.007133681
     19        6          -0.001848365    0.000692796    0.002205162
     20        6           0.000718099    0.003948119   -0.000569065
     21        6           0.001529475   -0.005234932    0.001967111
     22        6          -0.002188628    0.000752132    0.000699798
     23        7          -0.001118353    0.000443762    0.000692022
     24        7          -0.004465929   -0.001371263    0.000520653
     25        7           0.000040818    0.001955358   -0.001264285
     26        6          -0.000382337    0.001352005    0.000924018
     27        6          -0.000775385    0.000660243   -0.000311093
     28        6          -0.000621988   -0.001207378   -0.000305563
     29        6           0.001736301   -0.000770074   -0.000433886
     30        6           0.000497817   -0.000980804    0.001639596
     31        6          -0.000748251   -0.000144401   -0.000373698
     32        6           0.000049988   -0.000180320   -0.000000855
     33        6          -0.000462790    0.000278616   -0.001525696
     34        6          -0.000193556   -0.000501870    0.001583422
     35        6           0.000989708    0.000837279   -0.000247266
     36        6          -0.000332246   -0.000084087   -0.000043706
     37        6           0.000329221   -0.000250855   -0.001513269
     38        6          -0.000137721   -0.000393666    0.000539713
     39        6          -0.000997663    0.000633716   -0.000519464
     40        6          -0.000209486    0.000769453   -0.000477802
     41        6          -0.000081404    0.001100593    0.000174682
     42        6           0.002897449    0.000047244    0.000992927
     43        6           0.000443280    0.000348114    0.000576699
     44        6           0.000119053   -0.001052482   -0.000069176
     45        6          -0.000419939   -0.000680346    0.000161839
     46        6          -0.001279417    0.001271106   -0.000017711
     47        6          -0.000545020    0.000038567    0.000129473
     48        6          -0.000685051   -0.000419681   -0.000711201
     49        6           0.000747502   -0.000203706    0.000078183
     50        6           0.000719655    0.000600855    0.000625751
     51        6           0.000146158    0.000482957    0.000789134
     52        6          -0.000121556    0.000221906    0.000248220
     53        6          -0.000158275    0.000336388   -0.000403434
     54        6           0.000993520    0.000611175   -0.000164130
     55        6           0.000165020   -0.000624415   -0.000644133
     56        6          -0.000177156   -0.000325886   -0.000137609
     57        6           0.000011257   -0.000215394   -0.000128565
     58        6          -0.000020590    0.000442252    0.000604366
     59        6          -0.000533671   -0.000168656    0.000098799
     60        6           0.000091467    0.000881573   -0.000365353
     61        6           0.000513916   -0.000417159    0.000430821
     62        8           0.008734462   -0.014950416   -0.004694009
     63       15          -0.009307230   -0.003846545   -0.007047188
     64        8           0.001268192   -0.002252178    0.005909460
     65        8           0.001540808    0.005112262   -0.001314886
     66        6          -0.000426657   -0.002680728   -0.001321040
     67        6          -0.000222733   -0.000410396    0.000399500
     68        6          -0.000747641   -0.002699565   -0.000322305
     69        6          -0.000437373   -0.000910210    0.000665547
     70        1          -0.000845193   -0.000641208    0.000015479
     71        1           0.000408283    0.000459142   -0.000538539
     72        1          -0.000241455    0.000081563    0.000044383
     73        1          -0.001053568    0.000517681   -0.000376618
     74        1           0.000174349    0.000105549    0.000234488
     75        1           0.001008645   -0.000033180    0.000202896
     76        1           0.000174837    0.001925120    0.000582646
     77        1           0.000494400   -0.000141015    0.000024218
     78        1          -0.000135240    0.000869455   -0.000313350
     79        1           0.000013817   -0.000303670    0.000129048
     80        1           0.000078333    0.000080314   -0.000079821
     81        1           0.000299676   -0.000378179   -0.000002834
     82        1           0.000977374    0.000593308    0.000155617
     83        1          -0.001977859   -0.000839700   -0.000371581
     84        1          -0.000081603   -0.000207991    0.000130174
     85        1          -0.000099548   -0.000050424    0.000026047
     86        1          -0.000188277    0.000138727   -0.000074333
     87        1           0.000994451   -0.000879529   -0.000282119
     88        1           0.000113692   -0.000110197   -0.000154031
     89        1          -0.000016824   -0.000080413    0.000235280
     90        1           0.000470905   -0.000584711    0.000022665
     91        1           0.000199640   -0.000176090   -0.000314637
     92        1           0.000319039   -0.000087780    0.000096004
     93        1           0.000065677   -0.000036916    0.000156065
     94        1          -0.000069686   -0.000041444   -0.000029398
     95        1          -0.000201890    0.000053479    0.000259196
     96        1           0.000060046    0.000091181    0.000006389
     97        1           0.000076386    0.000045389    0.000116391
     98        1          -0.000560043   -0.000591843    0.000217652
     99        1          -0.000757927   -0.000326628   -0.000162249
    100        1          -0.000235134   -0.000009698    0.000101244
    101        1           0.000006336   -0.000101557   -0.000038270
    102        1          -0.000038170   -0.000247909   -0.000193656
    103        1           0.003175077    0.001970214   -0.000746711
    104        1           0.001723978    0.000850592   -0.000071146
    105        1          -0.000364901    0.000527491   -0.000046987
    106        1          -0.001268589    0.000102177    0.000328581
    107        1           0.000824260    0.000703978   -0.000088028
    108        1           0.000089923   -0.001222471    0.000165472
    109        1          -0.000171690   -0.000142703    0.000682108
    110        1           0.000066066    0.000650228   -0.000894964
    111        1           0.000730171   -0.000017786    0.000209243
    112        1          -0.000601411   -0.000081058    0.000513761
    113       17           0.003196893    0.023377134    0.015868278
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.025363614 RMS     0.003374587

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.104296632 RMS     0.007473158
 Search for a local minimum.
 Step number  12 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    9   12   11
 DE=  1.54D-02 DEPred=-7.16D-03 R=-2.15D+00
 Trust test=-2.15D+00 RLast= 6.97D-01 DXMaxT set to 6.42D-01
 ITU= -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00593   0.00634   0.00945   0.01071   0.01319
     Eigenvalues ---    0.01350   0.01664   0.01896   0.02025   0.02464
     Eigenvalues ---    0.02486   0.02537   0.02552   0.02586   0.02604
     Eigenvalues ---    0.02636   0.02669   0.02676   0.02685   0.02698
     Eigenvalues ---    0.02702   0.02707   0.02710   0.02712   0.02719
     Eigenvalues ---    0.02734   0.02746   0.02768   0.02789   0.02796
     Eigenvalues ---    0.02802   0.02811   0.02811   0.02816   0.02816
     Eigenvalues ---    0.02827   0.02845   0.02854   0.02860   0.02866
     Eigenvalues ---    0.02873   0.02876   0.02880   0.02892   0.02897
     Eigenvalues ---    0.02901   0.02903   0.02906   0.02907   0.02913
     Eigenvalues ---    0.02917   0.02918   0.02919   0.02925   0.02934
     Eigenvalues ---    0.02943   0.02947   0.02949   0.02950   0.02952
     Eigenvalues ---    0.02952   0.02955   0.02962   0.02964   0.02966
     Eigenvalues ---    0.02966   0.02974   0.02982   0.02990   0.02991
     Eigenvalues ---    0.02994   0.03000   0.03011   0.03018   0.03023
     Eigenvalues ---    0.03031   0.03049   0.03058   0.03062   0.03065
     Eigenvalues ---    0.03073   0.03085   0.03097   0.03105   0.03116
     Eigenvalues ---    0.03123   0.03136   0.03144   0.03167   0.03178
     Eigenvalues ---    0.03180   0.03192   0.03224   0.03244   0.03255
     Eigenvalues ---    0.03276   0.03288   0.03357   0.03579   0.03623
     Eigenvalues ---    0.05227   0.05563   0.05724   0.05870   0.05883
     Eigenvalues ---    0.05948   0.06241   0.06645   0.08505   0.11062
     Eigenvalues ---    0.11249   0.11590   0.11961   0.12595   0.13561
     Eigenvalues ---    0.14725   0.15952   0.15979   0.15986   0.15995
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16004   0.16008   0.16015   0.16073   0.17992
     Eigenvalues ---    0.18719   0.20088   0.21542   0.21862   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22005   0.22083
     Eigenvalues ---    0.22312   0.22422   0.22453   0.22567   0.22596
     Eigenvalues ---    0.22597   0.22609   0.22647   0.22660   0.23268
     Eigenvalues ---    0.23451   0.23470   0.23574   0.23955   0.24112
     Eigenvalues ---    0.24281   0.24404   0.24455   0.24460   0.24483
     Eigenvalues ---    0.24509   0.24522   0.24567   0.24603   0.24726
     Eigenvalues ---    0.24892   0.24910   0.24945   0.24949   0.24953
     Eigenvalues ---    0.24957   0.24962   0.24972   0.24974   0.24979
     Eigenvalues ---    0.24992   0.24995   0.25130   0.25267   0.25877
     Eigenvalues ---    0.26492   0.27160   0.27751   0.28291   0.28322
     Eigenvalues ---    0.28745   0.28848   0.29204   0.29328   0.29648
     Eigenvalues ---    0.30059   0.30436   0.30626   0.30656   0.30785
     Eigenvalues ---    0.30917   0.31063   0.31122   0.31247   0.31345
     Eigenvalues ---    0.31386   0.31486   0.31649   0.31869   0.32138
     Eigenvalues ---    0.32233   0.32614   0.33153   0.33448   0.33547
     Eigenvalues ---    0.33957   0.34021   0.34157   0.34497   0.34670
     Eigenvalues ---    0.34885   0.34938   0.35156   0.35491   0.35577
     Eigenvalues ---    0.36130   0.36391   0.36779   0.37134   0.37309
     Eigenvalues ---    0.38919   0.40318   0.41469   0.41525   0.42039
     Eigenvalues ---    0.42426   0.42859   0.43359   0.44127   0.45258
     Eigenvalues ---    0.46364   0.46945   0.47086   0.47103   0.47254
     Eigenvalues ---    0.47759   0.47988   0.48447   0.49697   0.50107
     Eigenvalues ---    0.50365   0.50561   0.50783   0.51661   0.51779
     Eigenvalues ---    0.52081   0.52228   0.52239   0.52676   0.53102
     Eigenvalues ---    0.53132   0.53453   0.53784   0.54279   0.54348
     Eigenvalues ---    0.55008   0.55241   0.55546   0.55640   0.55898
     Eigenvalues ---    0.56094   0.56183   0.56206   0.56486   0.56677
     Eigenvalues ---    0.56929   0.57195   0.57211   0.57304   0.57827
     Eigenvalues ---    0.58235   0.58284   0.58319   0.58440   0.58538
     Eigenvalues ---    0.58676   0.58917   0.59043   0.59372   0.59491
     Eigenvalues ---    0.59797   0.59850   0.60177   0.60679   0.60892
     Eigenvalues ---    0.61816   0.62530   0.63248   0.63587   0.64466
     Eigenvalues ---    0.65269   0.66005   0.66737   0.67763   0.68872
     Eigenvalues ---    0.71718   0.72120   0.73529   0.74611   0.80359
     Eigenvalues ---    0.83079   0.86785   1.01275
 RFO step:  Lambda=-1.98824216D-02 EMin= 5.92856034D-03
 Quartic linear search produced a step of -0.65609.
 Iteration  1 RMS(Cart)=  0.16257471 RMS(Int)=  0.00749943
 Iteration  2 RMS(Cart)=  0.03942850 RMS(Int)=  0.00044394
 Iteration  3 RMS(Cart)=  0.00113422 RMS(Int)=  0.00016511
 Iteration  4 RMS(Cart)=  0.00000179 RMS(Int)=  0.00016510
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016510
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63078   0.00124   0.00127  -0.00211  -0.00084   2.62993
    R2        2.65679  -0.00020   0.00238  -0.00334  -0.00095   2.65584
    R3        2.67470   0.00070  -0.00139   0.00258   0.00119   2.67589
    R4        2.65625  -0.00132   0.00022  -0.00088  -0.00067   2.65558
    R5        2.04270   0.00104   0.00036   0.00038   0.00074   2.04344
    R6        2.66451   0.00330   0.00072  -0.00079  -0.00029   2.66422
    R7        2.77122   0.00365   0.00170   0.00030   0.00185   2.77307
    R8        2.65116   0.00126   0.00326  -0.00398  -0.00073   2.65044
    R9        2.75828   0.00328   0.00155   0.00018   0.00170   2.75998
   R10        2.61094   0.00160  -0.00006   0.00044   0.00038   2.61132
   R11        2.04509   0.00061   0.00002   0.00029   0.00030   2.04540
   R12        2.04899   0.00007  -0.00147   0.00156   0.00009   2.04907
   R13        2.69715  -0.00249   0.00228  -0.00500  -0.00266   2.69449
   R14        2.64881  -0.00200   0.00007  -0.00091  -0.00084   2.64797
   R15        2.71958   0.01231   0.00090   0.00278   0.00384   2.72342
   R16        2.67144  -0.00477   0.00325  -0.00689  -0.00362   2.66782
   R17        2.73549   0.00552  -0.00361   0.00690   0.00373   2.73921
   R18        2.59976   0.01338   0.00545  -0.00168   0.00403   2.60379
   R19        2.48159  -0.00586   0.00260  -0.00681  -0.00420   2.47739
   R20        2.63616   0.00144   0.00074  -0.00097  -0.00026   2.63590
   R21        2.04077   0.00110   0.00132  -0.00072   0.00060   2.04136
   R22        2.66231  -0.00305   0.00243  -0.00405  -0.00165   2.66067
   R23        2.65387   0.00405  -0.00078   0.00216   0.00138   2.65525
   R24        2.59902   0.00463  -0.00096   0.00268   0.00172   2.60075
   R25        2.04737  -0.00018  -0.00110   0.00064  -0.00045   2.04692
   R26        2.04423   0.00082  -0.00063   0.00260   0.00197   2.04620
   R27        2.65474   0.00722   0.00081   0.00498   0.00579   2.66053
   R28        3.49176   0.00175  -0.00502   0.01083   0.00581   3.49757
   R29        2.69035   0.00008   0.00281  -0.00255   0.00002   2.69037
   R30        2.66245  -0.00096  -0.00044   0.00097   0.00053   2.66298
   R31        2.55653   0.01415  -0.00065   0.00478   0.00389   2.56042
   R32        2.66958  -0.00082   0.00051  -0.00158  -0.00107   2.66852
   R33        2.61084   0.00191  -0.00038   0.00029  -0.00010   2.61074
   R34        2.03392  -0.00157  -0.00034  -0.00122  -0.00156   2.03236
   R35        2.67267  -0.00319   0.00223  -0.00563  -0.00342   2.66926
   R36        2.04737   0.00051   0.00093  -0.00033   0.00060   2.04797
   R37        2.61144   0.00140   0.00001  -0.00047  -0.00047   2.61096
   R38        2.66915   0.00105  -0.00341   0.00356   0.00015   2.66931
   R39        2.04505   0.00093   0.00084   0.00003   0.00087   2.04591
   R40        2.64868   0.00068   0.00318  -0.00367  -0.00048   2.64820
   R41        2.64635   0.00060   0.00459  -0.00586  -0.00127   2.64508
   R42        2.65972   0.00093   0.00287  -0.00283   0.00004   2.65976
   R43        2.65787  -0.00130   0.00343  -0.00457  -0.00114   2.65673
   R44        2.65417  -0.00017   0.00479  -0.00596  -0.00117   2.65300
   R45        2.64839   0.00100   0.00387  -0.00426  -0.00039   2.64801
   R46        2.67286   0.00153   0.00067  -0.00068  -0.00001   2.67285
   R47        2.63856   0.00169   0.00118  -0.00079   0.00040   2.63895
   R48        2.73546   0.00065   0.00230  -0.00249  -0.00019   2.73527
   R49        2.64158   0.00109   0.00162  -0.00177  -0.00015   2.64142
   R50        2.67579   0.00072   0.00097  -0.00129  -0.00032   2.67547
   R51        2.64221   0.00056   0.00079  -0.00186  -0.00107   2.64114
   R52        2.63888   0.00094   0.00111  -0.00175  -0.00064   2.63824
   R53        2.67570   0.00106   0.00120  -0.00084   0.00036   2.67606
   R54        2.63882   0.00116   0.00162  -0.00219  -0.00057   2.63824
   R55        2.73407   0.00136   0.00179  -0.00207  -0.00028   2.73379
   R56        2.64383   0.00057   0.00075  -0.00100  -0.00024   2.64358
   R57        2.67951   0.00004  -0.00006  -0.00072  -0.00079   2.67872
   R58        2.64286   0.00073   0.00116  -0.00107   0.00009   2.64295
   R59        2.64000   0.00042   0.00121  -0.00198  -0.00077   2.63923
   R60        2.67534   0.00096   0.00041  -0.00071  -0.00030   2.67504
   R61        2.63982   0.00043   0.00097  -0.00200  -0.00102   2.63880
   R62        2.73387   0.00122   0.00249  -0.00218   0.00031   2.73418
   R63        2.64509  -0.00009   0.00067  -0.00202  -0.00135   2.64374
   R64        2.67811   0.00040   0.00041  -0.00149  -0.00109   2.67702
   R65        2.64234   0.00075   0.00099  -0.00114  -0.00015   2.64219
   R66        2.64022   0.00056   0.00012  -0.00049  -0.00037   2.63985
   R67        2.62691   0.00172   0.00233  -0.00167   0.00066   2.62757
   R68        2.05189   0.00022  -0.00003   0.00034   0.00031   2.05220
   R69        2.65130   0.00098   0.00081  -0.00136  -0.00055   2.65075
   R70        2.05151  -0.00003  -0.00064   0.00001  -0.00063   2.05088
   R71        2.63256   0.00052   0.00130  -0.00167  -0.00037   2.63220
   R72        2.05299  -0.00037  -0.00247   0.00278   0.00032   2.05331
   R73        2.04533   0.00107   0.00115  -0.00068   0.00047   2.04581
   R74        2.63253   0.00056   0.00084  -0.00102  -0.00018   2.63236
   R75        2.05398  -0.00217  -0.00471   0.00169  -0.00301   2.05097
   R76        2.65261   0.00073   0.00106  -0.00136  -0.00030   2.65231
   R77        2.05158   0.00014  -0.00035   0.00054   0.00019   2.05177
   R78        2.62805   0.00080   0.00162  -0.00216  -0.00054   2.62751
   R79        2.05135   0.00009  -0.00015   0.00004  -0.00011   2.05124
   R80        2.05214   0.00015  -0.00005   0.00015   0.00010   2.05223
   R81        2.62894   0.00066   0.00042  -0.00059  -0.00017   2.62876
   R82        2.05647  -0.00135  -0.00357   0.00214  -0.00144   2.05503
   R83        2.65360   0.00059   0.00086  -0.00075   0.00011   2.65371
   R84        2.05151  -0.00003  -0.00066   0.00076   0.00011   2.05162
   R85        2.63092   0.00087   0.00137  -0.00095   0.00042   2.63133
   R86        2.05296  -0.00014  -0.00095   0.00069  -0.00026   2.05270
   R87        2.04752   0.00069  -0.00002   0.00068   0.00066   2.04818
   R88        2.63140   0.00053   0.00092  -0.00079   0.00013   2.63153
   R89        2.04825   0.00020  -0.00087   0.00101   0.00014   2.04839
   R90        2.65433   0.00065   0.00080  -0.00152  -0.00072   2.65362
   R91        2.05160   0.00023  -0.00003   0.00010   0.00007   2.05167
   R92        2.62752   0.00113   0.00165  -0.00213  -0.00048   2.62704
   R93        2.05134   0.00005   0.00011   0.00000   0.00011   2.05145
   R94        2.05250   0.00005  -0.00004   0.00011   0.00007   2.05257
   R95        2.62790   0.00108   0.00180  -0.00140   0.00040   2.62830
   R96        2.05293  -0.00012  -0.00086   0.00031  -0.00055   2.05238
   R97        2.65295   0.00063   0.00061  -0.00130  -0.00069   2.65226
   R98        2.05124   0.00003  -0.00049   0.00048  -0.00001   2.05123
   R99        2.63283   0.00034   0.00077  -0.00074   0.00003   2.63286
   R100       2.05247  -0.00009  -0.00078   0.00069  -0.00010   2.05237
   R101       2.04672   0.00082   0.00053   0.00006   0.00059   2.04730
   R102       2.63299  -0.00003   0.00043  -0.00155  -0.00111   2.63187
   R103       2.04677   0.00067   0.00095  -0.00047   0.00048   2.04725
   R104       2.65270   0.00106   0.00152  -0.00127   0.00025   2.65295
   R105       2.05151   0.00017  -0.00010   0.00052   0.00042   2.05193
   R106       2.62768   0.00084   0.00102  -0.00122  -0.00020   2.62748
   R107       2.05163  -0.00010   0.00027  -0.00086  -0.00059   2.05103
   R108       2.05257  -0.00003  -0.00081   0.00115   0.00034   2.05291
   R109       2.77416  -0.00681  -0.00035  -0.00255  -0.00290   2.77127
   R110       2.99126   0.02379  -0.00831   0.02327   0.01497   3.00623
   R111       3.04144  -0.00020   0.00178  -0.01491  -0.01314   3.02831
   R112       2.81954   0.01480  -0.00747   0.02036   0.01290   2.83243
   R113       2.73592  -0.00026   0.00047  -0.00106  -0.00059   2.73533
   R114       2.85378   0.00040   0.00120  -0.00199  -0.00080   2.85299
   R115       2.06896  -0.00205  -0.00494   0.00025  -0.00469   2.06427
   R116       2.06746  -0.00028  -0.00100   0.00045  -0.00055   2.06691
   R117       2.06929  -0.00001   0.00046  -0.00075  -0.00028   2.06900
   R118       2.07049  -0.00131  -0.00320   0.00243  -0.00078   2.06971
   R119       2.06337   0.00030  -0.00019   0.00045   0.00026   2.06364
   R120       2.86991   0.00017   0.00102  -0.00091   0.00011   2.87002
   R121       2.06715  -0.00089  -0.00068   0.00043  -0.00025   2.06690
   R122       2.06849   0.00039  -0.00010   0.00030   0.00020   2.06870
   R123       2.06804  -0.00002  -0.00046   0.00012  -0.00034   2.06770
   R124       2.06593  -0.00019  -0.00046   0.00053   0.00007   2.06600
   R125       2.06572  -0.00013  -0.00109   0.00097  -0.00012   2.06560
   R126       5.18544   0.00470   0.06228  -0.13563  -0.07335   5.11209
    A1        2.08807   0.00127   0.00094   0.00194   0.00285   2.09092
    A2        2.10373  -0.00237  -0.00358  -0.00037  -0.00394   2.09979
    A3        2.09137   0.00109   0.00263  -0.00156   0.00108   2.09245
    A4        2.11660   0.00017  -0.00130  -0.00091  -0.00225   2.11435
    A5        2.05637   0.00015   0.00106   0.00004   0.00112   2.05750
    A6        2.10990  -0.00031   0.00020   0.00105   0.00127   2.11117
    A7        2.06693  -0.00058   0.00143  -0.00139   0.00010   2.06703
    A8        2.14021  -0.00126  -0.00150   0.00092  -0.00046   2.13976
    A9        2.07367   0.00177   0.00001   0.00036   0.00019   2.07386
   A10        2.09437   0.00008  -0.00048   0.00182   0.00130   2.09567
   A11        2.10469  -0.00038  -0.00027  -0.00146  -0.00175   2.10295
   A12        2.08391   0.00033   0.00073  -0.00012   0.00061   2.08452
   A13        2.10961  -0.00008  -0.00027  -0.00097  -0.00126   2.10835
   A14        2.06559   0.00024  -0.00004  -0.00066  -0.00070   2.06489
   A15        2.10790  -0.00015   0.00036   0.00152   0.00189   2.10979
   A16        2.09067  -0.00086  -0.00026  -0.00088  -0.00116   2.08951
   A17        2.08889   0.00017   0.00031  -0.00179  -0.00147   2.08742
   A18        2.10352   0.00069  -0.00009   0.00278   0.00269   2.10621
   A19        2.09676  -0.00035   0.00079  -0.00202  -0.00121   2.09554
   A20        2.12078  -0.00047  -0.00246   0.00411   0.00159   2.12237
   A21        2.06472   0.00081   0.00180  -0.00243  -0.00059   2.06414
   A22        2.09027   0.00055  -0.00086  -0.00067  -0.00126   2.08902
   A23        2.06840   0.00040  -0.00373   0.00737   0.00358   2.07198
   A24        2.12273  -0.00102   0.00461  -0.00695  -0.00255   2.12017
   A25        2.05654  -0.00259   0.00215  -0.00615  -0.00489   2.05165
   A26        2.15677  -0.00166   0.00204  -0.01699  -0.01658   2.14019
   A27        2.06167   0.00288  -0.00136   0.00881   0.00679   2.06846
   A28        2.07654  -0.00057   0.00272  -0.00714  -0.00423   2.07231
   A29        2.06462   0.00418  -0.00335   0.01056   0.00655   2.07118
   A30        2.14070  -0.00366   0.00132  -0.00590  -0.00428   2.13642
   A31        2.12676  -0.00006  -0.00080  -0.00033  -0.00111   2.12565
   A32        2.09423   0.00016  -0.00014   0.00161   0.00146   2.09569
   A33        2.06202  -0.00010   0.00089  -0.00115  -0.00027   2.06175
   A34        2.08074  -0.00068  -0.00042   0.00281   0.00239   2.08313
   A35        2.12083  -0.00328  -0.00346  -0.00409  -0.00754   2.11328
   A36        2.08140   0.00396   0.00379   0.00134   0.00514   2.08654
   A37        2.08897  -0.00052  -0.00030  -0.00123  -0.00152   2.08745
   A38        2.08985   0.00042   0.00057   0.00013   0.00070   2.09055
   A39        2.10419   0.00010  -0.00028   0.00107   0.00079   2.10497
   A40        2.12497  -0.00006   0.00138  -0.00237  -0.00094   2.12403
   A41        2.09120  -0.00052  -0.00224  -0.00125  -0.00352   2.08767
   A42        2.06594   0.00061   0.00080   0.00397   0.00474   2.07068
   A43        2.06200  -0.00074   0.00028  -0.00240  -0.00155   2.06046
   A44        2.04095   0.01094   0.00423   0.00197   0.00581   2.04676
   A45        2.09538  -0.00861  -0.00702   0.01366   0.00611   2.10149
   A46        2.07172  -0.00306   0.00046  -0.00521  -0.00445   2.06727
   A47        2.15719   0.00444   0.00017   0.00525   0.00535   2.16255
   A48        2.05132  -0.00112   0.00050  -0.00140  -0.00090   2.05042
   A49        2.13286   0.00143  -0.00122   0.00595   0.00465   2.13752
   A50        2.09841   0.00061   0.00245  -0.00283  -0.00034   2.09807
   A51        2.05127  -0.00201  -0.00133  -0.00266  -0.00400   2.04726
   A52        2.06051   0.00443   0.00273  -0.00058   0.00245   2.06296
   A53        2.11799   0.00070  -0.00286   0.00338   0.00053   2.11853
   A54        2.11021  -0.00005   0.00169  -0.00111   0.00057   2.11078
   A55        2.05377  -0.00068   0.00131  -0.00249  -0.00118   2.05259
   A56        2.11541  -0.00003   0.00282  -0.00363  -0.00082   2.11459
   A57        2.08514   0.00012  -0.00224   0.00472   0.00250   2.08763
   A58        2.08244  -0.00009  -0.00075  -0.00083  -0.00156   2.08087
   A59        2.06582  -0.00015   0.00049   0.00078   0.00125   2.06707
   A60        2.09274   0.00125   0.00150  -0.00013   0.00138   2.09413
   A61        2.12424  -0.00110  -0.00204  -0.00057  -0.00260   2.12164
   A62        2.11633  -0.00003  -0.00303   0.00278  -0.00023   2.11610
   A63        2.04480  -0.00000  -0.00069   0.00003  -0.00064   2.04416
   A64        2.12189   0.00004   0.00382  -0.00303   0.00080   2.12269
   A65        2.19157   0.00073   0.00164  -0.00029   0.00135   2.19291
   A66        2.20319  -0.00170  -0.00333   0.00118  -0.00216   2.20103
   A67        1.88812   0.00097   0.00165  -0.00075   0.00090   1.88902
   A68        2.17433   0.00341   0.00192   0.00446   0.00639   2.18072
   A69        2.22188  -0.00381  -0.00282  -0.00378  -0.00659   2.21529
   A70        1.88685   0.00040   0.00081  -0.00057   0.00024   1.88709
   A71        2.20049  -0.00069  -0.00266   0.00241  -0.00025   2.20024
   A72        2.19386  -0.00001   0.00197  -0.00239  -0.00042   2.19344
   A73        1.88838   0.00070   0.00059   0.00016   0.00076   1.88913
   A74        1.90159  -0.00065  -0.00137   0.00090  -0.00048   1.90112
   A75        2.25954   0.00094  -0.00067   0.00091   0.00024   2.25977
   A76        2.12015  -0.00028   0.00181  -0.00129   0.00052   2.12067
   A77        1.86727   0.00006   0.00133  -0.00111   0.00023   1.86750
   A78        2.09063  -0.00018  -0.00145   0.00086  -0.00059   2.09004
   A79        2.32492   0.00012  -0.00001   0.00048   0.00047   2.32539
   A80        1.86997  -0.00045   0.00007  -0.00039  -0.00032   1.86965
   A81        2.32153   0.00092   0.00019   0.00160   0.00180   2.32333
   A82        2.09146  -0.00047  -0.00038  -0.00098  -0.00137   2.09009
   A83        1.89908   0.00064  -0.00086   0.00118   0.00032   1.89941
   A84        2.26778  -0.00138  -0.00043  -0.00194  -0.00237   2.26541
   A85        2.11467   0.00075   0.00095   0.00140   0.00235   2.11703
   A86        1.90394  -0.00103  -0.00239   0.00133  -0.00106   1.90288
   A87        2.25728   0.00058   0.00100  -0.00109  -0.00010   2.25718
   A88        2.12078   0.00046   0.00117   0.00028   0.00145   2.12223
   A89        1.86465   0.00039   0.00156  -0.00120   0.00036   1.86501
   A90        2.08930  -0.00071  -0.00143  -0.00022  -0.00165   2.08766
   A91        2.32914   0.00032  -0.00009   0.00128   0.00119   2.33033
   A92        1.86602  -0.00005   0.00106  -0.00128  -0.00021   1.86581
   A93        2.32909   0.00047  -0.00097   0.00212   0.00115   2.33024
   A94        2.08785  -0.00042  -0.00020  -0.00065  -0.00084   2.08701
   A95        1.90201  -0.00028  -0.00189   0.00192   0.00003   1.90204
   A96        2.26165  -0.00044   0.00097  -0.00242  -0.00146   2.26019
   A97        2.11809   0.00073   0.00042   0.00153   0.00196   2.12005
   A98        1.90073  -0.00031  -0.00125   0.00063  -0.00062   1.90011
   A99        2.26228  -0.00031  -0.00141   0.00067  -0.00075   2.26154
   A100       2.11875   0.00064   0.00202  -0.00007   0.00196   2.12070
   A101       1.86759  -0.00002   0.00073  -0.00046   0.00027   1.86786
   A102       2.08944  -0.00044  -0.00091  -0.00080  -0.00170   2.08773
   A103       2.32598   0.00046   0.00012   0.00136   0.00148   2.32746
   A104       1.86590   0.00008   0.00131  -0.00157  -0.00026   1.86563
   A105       2.32875   0.00018  -0.00101   0.00145   0.00044   2.32919
   A106       2.08843  -0.00026  -0.00023  -0.00008  -0.00031   2.08812
   A107       1.90216  -0.00045  -0.00137   0.00122  -0.00015   1.90201
   A108       2.26284  -0.00009   0.00011  -0.00120  -0.00109   2.26175
   A109       2.11728   0.00055   0.00109   0.00035   0.00144   2.11872
   A110       2.07938   0.00002  -0.00009   0.00040   0.00031   2.07969
   A111       2.10137  -0.00026  -0.00070  -0.00012  -0.00082   2.10055
   A112       2.10243   0.00024   0.00079  -0.00029   0.00050   2.10293
   A113       2.10230   0.00004  -0.00007  -0.00020  -0.00027   2.10203
   A114       2.09189   0.00011   0.00014   0.00037   0.00050   2.09239
   A115       2.08899  -0.00015  -0.00008  -0.00015  -0.00023   2.08876
   A116       2.11968  -0.00005   0.00031   0.00060   0.00091   2.12059
   A117       2.08555   0.00018   0.00106  -0.00140  -0.00034   2.08521
   A118       2.07796  -0.00013  -0.00137   0.00080  -0.00057   2.07738
   A119       2.05828  -0.00028  -0.00070  -0.00121  -0.00192   2.05636
   A120       2.12347  -0.00029   0.00044  -0.00117  -0.00073   2.12274
   A121       2.10143   0.00057   0.00027   0.00234   0.00260   2.10403
   A122       2.05327   0.00005  -0.00081   0.00018  -0.00063   2.05264
   A123       2.12214   0.00018   0.00105   0.00007   0.00112   2.12326
   A124       2.10758  -0.00023  -0.00030  -0.00015  -0.00045   2.10714
   A125       2.12102   0.00019  -0.00018   0.00059   0.00042   2.12144
   A126       2.07419   0.00013   0.00081   0.00044   0.00125   2.07544
   A127       2.08789  -0.00031  -0.00062  -0.00105  -0.00167   2.08622
   A128       2.10333   0.00002   0.00041  -0.00057  -0.00015   2.10318
   A129       2.08728   0.00006   0.00002   0.00063   0.00066   2.08794
   A130       2.09254  -0.00009  -0.00049  -0.00001  -0.00049   2.09204
   A131       2.07735   0.00020   0.00013   0.00035   0.00048   2.07783
   A132       2.10253  -0.00029  -0.00101   0.00007  -0.00093   2.10160
   A133       2.10325   0.00009   0.00088  -0.00044   0.00044   2.10369
   A134       2.08032   0.00006   0.00012  -0.00047  -0.00036   2.07996
   A135       2.10087  -0.00018  -0.00132   0.00111  -0.00021   2.10066
   A136       2.10191   0.00012   0.00122  -0.00063   0.00059   2.10250
   A137       2.10278   0.00013   0.00003   0.00082   0.00085   2.10363
   A138       2.09067   0.00015   0.00103  -0.00048   0.00054   2.09122
   A139       2.08972  -0.00028  -0.00108  -0.00031  -0.00138   2.08833
   A140       2.11993  -0.00016  -0.00003  -0.00040  -0.00043   2.11950
   A141       2.08467   0.00012   0.00045  -0.00041   0.00004   2.08471
   A142       2.07856   0.00004  -0.00044   0.00084   0.00039   2.07896
   A143       2.05697  -0.00033  -0.00052  -0.00049  -0.00101   2.05596
   A144       2.11680   0.00002   0.00110  -0.00158  -0.00048   2.11632
   A145       2.10926   0.00032  -0.00059   0.00215   0.00155   2.11081
   A146       2.05304   0.00003  -0.00022  -0.00011  -0.00033   2.05271
   A147       2.12243  -0.00035  -0.00019  -0.00161  -0.00179   2.12064
   A148       2.10765   0.00032   0.00036   0.00180   0.00216   2.10981
   A149       2.12195  -0.00038  -0.00091   0.00036  -0.00055   2.12140
   A150       2.07875  -0.00008  -0.00154   0.00069  -0.00085   2.07790
   A151       2.08246   0.00046   0.00244  -0.00103   0.00141   2.08387
   A152       2.10302   0.00032   0.00088  -0.00026   0.00061   2.10364
   A153       2.08848  -0.00030  -0.00038  -0.00044  -0.00082   2.08766
   A154       2.09165  -0.00002  -0.00048   0.00067   0.00019   2.09184
   A155       2.07783   0.00027   0.00028   0.00040   0.00068   2.07851
   A156       2.10092  -0.00019  -0.00012   0.00012   0.00001   2.10093
   A157       2.10443  -0.00007  -0.00020  -0.00049  -0.00068   2.10375
   A158       2.08086  -0.00017  -0.00071   0.00009  -0.00062   2.08024
   A159       2.10181  -0.00022  -0.00117   0.00047  -0.00070   2.10111
   A160       2.10049   0.00039   0.00184  -0.00050   0.00135   2.10183
   A161       2.10291   0.00008   0.00011   0.00052   0.00063   2.10354
   A162       2.09322  -0.00015  -0.00083  -0.00015  -0.00098   2.09224
   A163       2.08700   0.00007   0.00075  -0.00042   0.00033   2.08733
   A164       2.11892   0.00007   0.00045  -0.00044   0.00001   2.11893
   A165       2.08637  -0.00008   0.00027  -0.00121  -0.00094   2.08543
   A166       2.07786   0.00000  -0.00071   0.00165   0.00094   2.07880
   A167       2.05753  -0.00027  -0.00096   0.00003  -0.00094   2.05659
   A168       2.11983   0.00004   0.00117  -0.00154  -0.00037   2.11946
   A169       2.10572   0.00024  -0.00022   0.00155   0.00133   2.10705
   A170       2.05551  -0.00028  -0.00183   0.00088  -0.00094   2.05457
   A171       2.12326  -0.00021   0.00082  -0.00181  -0.00100   2.12226
   A172       2.10428   0.00050   0.00104   0.00092   0.00196   2.10624
   A173       2.12043  -0.00008   0.00046  -0.00011   0.00036   2.12078
   A174       2.07814  -0.00015  -0.00129   0.00073  -0.00057   2.07758
   A175       2.08461   0.00024   0.00083  -0.00061   0.00021   2.08482
   A176       2.10333   0.00012   0.00030  -0.00100  -0.00069   2.10264
   A177       2.08721  -0.00001  -0.00015   0.00058   0.00043   2.08764
   A178       2.09265  -0.00011  -0.00017   0.00044   0.00026   2.09291
   A179       2.07861   0.00004  -0.00032   0.00153   0.00121   2.07981
   A180       2.10256  -0.00034  -0.00099  -0.00064  -0.00163   2.10093
   A181       2.10191   0.00030   0.00135  -0.00090   0.00045   2.10236
   A182       1.97345   0.00384  -0.01092   0.02333   0.01149   1.98494
   A183       1.75618   0.02232   0.00162   0.03595   0.03686   1.79305
   A184       1.81468  -0.00457   0.01016  -0.02796  -0.01749   1.79719
   A185       2.07319   0.01255   0.00339   0.01864   0.02088   2.09407
   A186       1.93759  -0.00837   0.00525  -0.02474  -0.01947   1.91812
   A187       1.88453  -0.02616  -0.00895  -0.02721  -0.03594   1.84859
   A188       2.06163   0.10430   0.00459   0.09306   0.09765   2.15928
   A189       2.29801   0.01116  -0.00462   0.01172   0.00709   2.30511
   A190       1.87922   0.00431   0.00111  -0.00611  -0.00419   1.87503
   A191       1.88857   0.04260  -0.01164   0.07336   0.06152   1.95009
   A192       1.83768  -0.02042   0.00647  -0.02643  -0.02079   1.81690
   A193       1.96893  -0.04899  -0.00810  -0.05412  -0.06193   1.90699
   A194       1.97714   0.00578  -0.00042  -0.00200  -0.00240   1.97475
   A195       1.90547   0.02066   0.01247   0.02116   0.03288   1.93835
   A196       1.90214   0.00021  -0.00039  -0.00084  -0.00123   1.90091
   A197       1.94487  -0.00026   0.00047  -0.00105  -0.00058   1.94429
   A198       1.91467   0.00121  -0.00277   0.00453   0.00176   1.91643
   A199       1.88884   0.00005  -0.00102   0.00207   0.00104   1.88989
   A200       1.89485  -0.00059   0.00132  -0.00314  -0.00181   1.89303
   A201       1.91757  -0.00064   0.00243  -0.00169   0.00074   1.91831
   A202       1.87591  -0.00062   0.00133  -0.00240  -0.00106   1.87485
   A203       1.90494   0.00017   0.00011  -0.00358  -0.00346   1.90147
   A204       1.90218   0.00054  -0.00117   0.00306   0.00189   1.90407
   A205       1.93571  -0.00005  -0.00042   0.00268   0.00226   1.93797
   A206       1.93997  -0.00032   0.00087  -0.00147  -0.00060   1.93937
   A207       1.90444   0.00029  -0.00073   0.00161   0.00089   1.90532
   A208       1.91884  -0.00041  -0.00027  -0.00221  -0.00248   1.91636
   A209       1.92397   0.00006  -0.00224   0.00336   0.00112   1.92510
   A210       1.94178  -0.00001   0.00278  -0.00371  -0.00094   1.94084
   A211       1.89055   0.00026   0.00006   0.00154   0.00160   1.89216
   A212       1.89389   0.00009  -0.00172   0.00259   0.00087   1.89476
   A213       1.89371   0.00002   0.00135  -0.00143  -0.00008   1.89363
   A214       2.21538  -0.01212  -0.04096   0.03577  -0.00519   2.21019
    D1       -0.00156   0.00043  -0.00427   0.01104   0.00680   0.00524
    D2        3.11369   0.00073  -0.00589   0.01919   0.01334   3.12703
    D3        3.13286   0.00008  -0.00571   0.01195   0.00624   3.13910
    D4       -0.03507   0.00038  -0.00734   0.02010   0.01278  -0.02228
    D5       -0.00242  -0.00046   0.00517  -0.01574  -0.01058  -0.01299
    D6        3.12358  -0.00042   0.00270  -0.00758  -0.00491   3.11867
    D7       -3.13690  -0.00009   0.00664  -0.01665  -0.01000   3.13629
    D8       -0.01090  -0.00006   0.00417  -0.00849  -0.00433  -0.01523
    D9        2.22406   0.00007   0.03689  -0.07558  -0.03869   2.18537
   D10       -0.94766   0.00027   0.03481  -0.06885  -0.03402  -0.98169
   D11       -0.92472  -0.00028   0.03543  -0.07466  -0.03924  -0.96395
   D12        2.18675  -0.00008   0.03336  -0.06792  -0.03458   2.15217
   D13        0.01153   0.00021  -0.00330   0.01118   0.00789   0.01942
   D14       -3.05527   0.00133  -0.00236   0.01283   0.01055  -3.04472
   D15       -3.10292  -0.00010  -0.00164   0.00280   0.00115  -3.10177
   D16        0.11347   0.00102  -0.00070   0.00445   0.00382   0.11728
   D17       -0.01762  -0.00084   0.00999  -0.02883  -0.01891  -0.03653
   D18        3.10200   0.00061   0.00881  -0.01627  -0.00740   3.09460
   D19        3.05208  -0.00204   0.00901  -0.03039  -0.02150   3.03059
   D20       -0.11148  -0.00059   0.00783  -0.01783  -0.00999  -0.12147
   D21       -3.10851   0.00097  -0.01790   0.04303   0.02520  -3.08331
   D22        0.08016   0.00133  -0.02155   0.05173   0.03018   0.11034
   D23        0.10815   0.00218  -0.01701   0.04475   0.02788   0.13603
   D24       -2.98637   0.00255  -0.02067   0.05346   0.03286  -2.95350
   D25        0.01409   0.00084  -0.00927   0.02467   0.01545   0.02954
   D26        3.14151   0.00090  -0.00485   0.01565   0.01085  -3.13083
   D27       -3.10580  -0.00059  -0.00809   0.01227   0.00410  -3.10170
   D28        0.02162  -0.00053  -0.00367   0.00326  -0.00050   0.02112
   D29       -0.12917  -0.00352   0.00807  -0.03169  -0.02383  -0.15300
   D30        2.95870  -0.00471   0.02783  -0.08234  -0.05493   2.90377
   D31        2.99059  -0.00207   0.00688  -0.01918  -0.01239   2.97820
   D32       -0.20473  -0.00327   0.02665  -0.06983  -0.04349  -0.24822
   D33       -0.00387  -0.00018   0.00158  -0.00205  -0.00051  -0.00438
   D34       -3.12974  -0.00021   0.00407  -0.01024  -0.00620  -3.13594
   D35       -3.13095  -0.00025  -0.00295   0.00721   0.00423  -3.12672
   D36        0.02637  -0.00028  -0.00046  -0.00098  -0.00146   0.02491
   D37        0.13989   0.00000   0.00956  -0.02068  -0.01111   0.12878
   D38       -2.93852   0.00130   0.00899  -0.01596  -0.00708  -2.94560
   D39       -3.04729  -0.00039   0.01300  -0.02893  -0.01587  -3.06316
   D40        0.15748   0.00091   0.01244  -0.02421  -0.01184   0.14564
   D41        3.01480  -0.00058  -0.00176   0.00261   0.00093   3.01573
   D42       -0.14728  -0.00020  -0.00425   0.01032   0.00614  -0.14114
   D43       -0.08055  -0.00020  -0.00533   0.01115   0.00584  -0.07470
   D44        3.04056   0.00019  -0.00782   0.01887   0.01105   3.05161
   D45       -0.37809  -0.00335   0.00640  -0.02890  -0.02248  -0.40057
   D46        2.90357   0.00808  -0.02205   0.09208   0.06929   2.97286
   D47        2.69830  -0.00463   0.00667  -0.03323  -0.02639   2.67191
   D48       -0.30322   0.00680  -0.02179   0.08775   0.06537  -0.23785
   D49       -0.11290  -0.00101  -0.00976   0.01769   0.00800  -0.10490
   D50        2.97795  -0.00047  -0.01100   0.02609   0.01513   2.99307
   D51        3.09310   0.00026  -0.01012   0.02225   0.01205   3.10515
   D52       -0.09924   0.00079  -0.01136   0.03065   0.01917  -0.08006
   D53        0.37221   0.00468  -0.01492   0.05445   0.03963   0.41184
   D54       -2.71319   0.00567  -0.03553   0.10690   0.07161  -2.64159
   D55       -2.90166  -0.00646   0.01213  -0.06184  -0.05014  -2.95180
   D56        0.29612  -0.00547  -0.00848  -0.00940  -0.01816   0.27796
   D57        2.81756  -0.01259   0.00883  -0.08586  -0.07662   2.74094
   D58       -0.75399  -0.01094   0.00112  -0.05079  -0.04943  -0.80342
   D59       -0.18357  -0.00072  -0.01988   0.03657   0.01688  -0.16669
   D60        2.52806   0.00093  -0.02759   0.07165   0.04408   2.57213
   D61        3.03275   0.00744   0.00033   0.04104   0.04164   3.07439
   D62       -0.16466   0.00631   0.02088  -0.01161   0.00935  -0.15531
   D63       -0.04648  -0.00037  -0.00523   0.00987   0.00468  -0.04180
   D64        3.11787   0.00013  -0.00158   0.00693   0.00537   3.12324
   D65        3.11524  -0.00075  -0.00277   0.00227  -0.00046   3.11478
   D66       -0.00360  -0.00025   0.00088  -0.00068   0.00024  -0.00336
   D67        0.09503   0.00016   0.00809  -0.01694  -0.00886   0.08617
   D68       -3.02629   0.00024   0.00819  -0.01510  -0.00695  -3.03324
   D69       -3.06880  -0.00043   0.00441  -0.01414  -0.00971  -3.07851
   D70        0.09307  -0.00035   0.00451  -0.01230  -0.00780   0.08527
   D71       -2.34573   0.00067  -0.01507   0.03411   0.01906  -2.32667
   D72        0.77709   0.00054  -0.02021   0.04275   0.02255   0.79964
   D73        0.81863   0.00124  -0.01135   0.03115   0.01979   0.83842
   D74       -2.34174   0.00111  -0.01649   0.03979   0.02328  -2.31846
   D75       -0.01458   0.00045  -0.00036   0.00280   0.00240  -0.01218
   D76       -3.10613  -0.00005   0.00096  -0.00534  -0.00443  -3.11057
   D77        3.10657   0.00037  -0.00045   0.00094   0.00047   3.10704
   D78        0.01502  -0.00013   0.00086  -0.00720  -0.00636   0.00865
   D79       -0.02736   0.00442   0.03392  -0.04294  -0.00897  -0.03632
   D80       -3.08435   0.00089   0.01433  -0.02329  -0.00897  -3.09332
   D81       -2.72518  -0.00231   0.03891  -0.07602  -0.03689  -2.76207
   D82        0.50100  -0.00583   0.01932  -0.05636  -0.03689   0.46412
   D83        0.00785  -0.00305  -0.06520   0.04490  -0.02016  -0.01231
   D84       -2.22201  -0.03588  -0.06431  -0.01577  -0.08053  -2.30255
   D85        2.11112  -0.01407  -0.05833   0.00954  -0.04879   2.06233
   D86        2.71087   0.00079  -0.07109   0.07647   0.00573   2.71659
   D87        0.48100  -0.03204  -0.07020   0.01579  -0.05464   0.42636
   D88       -1.46905  -0.01023  -0.06422   0.04110  -0.02290  -1.49195
   D89        0.16431  -0.00379  -0.02228   0.02226  -0.00008   0.16423
   D90       -3.01670  -0.00263  -0.02522   0.03618   0.01092  -3.00577
   D91       -3.05673  -0.00020  -0.00389   0.00413   0.00024  -3.05649
   D92        0.04545   0.00096  -0.00683   0.01805   0.01125   0.05669
   D93        3.04485   0.00224   0.01691  -0.02332  -0.00635   3.03850
   D94       -0.15094   0.00159   0.02035  -0.02840  -0.00800  -0.15894
   D95       -0.01307  -0.00115  -0.00246  -0.00370  -0.00618  -0.01926
   D96        3.07433  -0.00181   0.00097  -0.00878  -0.00784   3.06649
   D97       -0.06544  -0.00184  -0.00580   0.00584  -0.00002  -0.06546
   D98        3.11456  -0.00302  -0.00302  -0.00771  -0.01079   3.10376
   D99       -0.04676  -0.00011   0.01083  -0.01890  -0.00807  -0.05483
   D100       3.11401  -0.00064   0.00175  -0.00609  -0.00435   3.10965
   D101       3.05723   0.00106   0.00801  -0.00543   0.00256   3.05979
   D102      -0.06519   0.00053  -0.00106   0.00738   0.00628  -0.05891
   D103      -0.01951   0.00048   0.00828  -0.01064  -0.00232  -0.02184
   D104       3.10053   0.00027   0.00082   0.00398   0.00482   3.10535
   D105      -3.10861   0.00110   0.00494  -0.00574  -0.00078  -3.10938
   D106       0.01144   0.00089  -0.00252   0.00887   0.00637   0.01780
   D107       0.01934   0.00042  -0.00443   0.01025   0.00582   0.02516
   D108       3.13175   0.00031  -0.00634   0.01346   0.00711   3.13886
   D109      -3.10073   0.00063   0.00305  -0.00441  -0.00135  -3.10208
   D110       0.01167   0.00052   0.00114  -0.00120  -0.00006   0.01162
   D111       0.01380  -0.00061  -0.00508   0.00451  -0.00058   0.01322
   D112       3.13537  -0.00006   0.00438  -0.00883  -0.00448   3.13088
   D113      -3.09805  -0.00055  -0.00321   0.00124  -0.00196  -3.10001
   D114       0.02352   0.00000   0.00626  -0.01210  -0.00587   0.01765
   D115      -2.27199   0.00045  -0.03026   0.06594   0.03568  -2.23631
   D116       0.90627   0.00031  -0.02688   0.05876   0.03189   0.93816
   D117       0.83941   0.00036  -0.03219   0.06928   0.03708   0.87649
   D118      -2.26551   0.00022  -0.02881   0.06210   0.03329  -2.23223
   D119       3.12377  -0.00006  -0.00201   0.00364   0.00164   3.12540
   D120      -0.07030   0.00019  -0.00661   0.01519   0.00858  -0.06172
   D121       0.00775  -0.00019  -0.00017  -0.00211  -0.00228   0.00547
   D122       3.09687   0.00006  -0.00477   0.00944   0.00466   3.10154
   D123      -3.12091  -0.00002   0.00147  -0.00333  -0.00184  -3.12276
   D124      -0.03714   0.00026  -0.00745   0.01760   0.01014  -0.02700
   D125      -0.00511   0.00015  -0.00028   0.00244   0.00216  -0.00295
   D126       3.07866   0.00044  -0.00921   0.02337   0.01415   3.09281
   D127       3.12886   0.00012  -0.00148   0.00446   0.00301   3.13188
   D128       0.05405   0.00003   0.00236  -0.00447  -0.00208   0.05196
   D129       0.00299   0.00028   0.00288  -0.00273   0.00015   0.00314
   D130      -3.07183   0.00019   0.00671  -0.01166  -0.00494  -3.07677
   D131      -3.13003  -0.00020   0.00168  -0.00498  -0.00328  -3.13330
   D132       0.07386  -0.00030   0.00768  -0.01716  -0.00945   0.06441
   D133      -0.00470  -0.00027  -0.00276   0.00256  -0.00019  -0.00489
   D134      -3.08400  -0.00038   0.00325  -0.00963  -0.00636  -3.09036
   D135      -3.11682  -0.00020   0.00396  -0.00884  -0.00488  -3.12170
   D136       0.08258  -0.00042   0.01508  -0.03352  -0.01841   0.06417
   D137      -0.00658  -0.00008   0.00111  -0.00276  -0.00165  -0.00823
   D138      -3.09036  -0.00030   0.01223  -0.02745  -0.01518  -3.10554
   D139       3.11580   0.00018  -0.00421   0.00942   0.00522   3.12102
   D140       0.02040   0.00001  -0.00019  -0.00006  -0.00024   0.02017
   D141       0.00540   0.00008  -0.00126   0.00326   0.00201   0.00741
   D142      -3.08999  -0.00009   0.00276  -0.00622  -0.00345  -3.09345
   D143      -0.00017  -0.00018  -0.00189   0.00183  -0.00006  -0.00022
   D144      -3.11670  -0.00021   0.00229  -0.00621  -0.00392  -3.12062
   D145       3.08099  -0.00003  -0.00546   0.01001   0.00455   3.08553
   D146      -0.03555  -0.00006  -0.00129   0.00196   0.00068  -0.03486
   D147       3.10541   0.00008  -0.00304   0.00701   0.00398   3.10939
   D148      -0.01480   0.00011  -0.00019   0.00163   0.00144  -0.01336
   D149       0.03788  -0.00002   0.00134  -0.00298  -0.00164   0.03624
   D150      -3.08233   0.00001   0.00419  -0.00836  -0.00418  -3.08651
   D151      -0.00268   0.00001   0.00019  -0.00025  -0.00006  -0.00274
   D152       3.11508   0.00012  -0.00482   0.01183   0.00702   3.12210
   D153       3.10907   0.00004  -0.00481   0.00933   0.00453   3.11359
   D154      -0.05636   0.00015  -0.00982   0.02141   0.01161  -0.04475
   D155       0.01022   0.00002  -0.00158   0.00276   0.00117   0.01139
   D156       3.14117   0.00002  -0.00085   0.00083  -0.00002   3.14115
   D157      -3.09849  -0.00002   0.00388  -0.00777  -0.00389  -3.10238
   D158       0.03246  -0.00002   0.00461  -0.00970  -0.00508   0.02738
   D159       0.00456   0.00016   0.00157  -0.00141   0.00015   0.00471
   D160       3.09034   0.00016  -0.00387   0.00937   0.00551   3.09584
   D161      -3.11695   0.00005   0.00578  -0.01164  -0.00585  -3.12280
   D162      -0.03117   0.00005   0.00035  -0.00086  -0.00049  -0.03166
   D163      -3.11152  -0.00004   0.00523  -0.01167  -0.00646  -3.11798
   D164       0.02721  -0.00012   0.00600  -0.01422  -0.00822   0.01898
   D165       0.00383   0.00007  -0.00029   0.00165   0.00135   0.00517
   D166      -3.14064  -0.00000   0.00049  -0.00090  -0.00041  -3.14105
   D167       3.11034  -0.00008  -0.00726   0.01285   0.00558   3.11592
   D168      -0.02561   0.00003  -0.00869   0.01966   0.01096  -0.01465
   D169       0.03767  -0.00018  -0.00054  -0.00061  -0.00117   0.03651
   D170      -3.09828  -0.00007  -0.00197   0.00620   0.00422  -3.09406
   D171      -0.00729   0.00016   0.00054   0.00097   0.00150  -0.00578
   D172       3.12169   0.00014   0.00462  -0.00847  -0.00385   3.11784
   D173      -3.10128  -0.00009   0.00470  -0.00945  -0.00475  -3.10603
   D174       0.02770  -0.00011   0.00878  -0.01889  -0.01010   0.01759
   D175      -3.11472  -0.00007  -0.00097   0.00216   0.00118  -3.11354
   D176       0.01503  -0.00008  -0.00473   0.00947   0.00473   0.01976
   D177      -0.03130   0.00018  -0.00617   0.01498   0.00882  -0.02248
   D178       3.09845   0.00017  -0.00993   0.02229   0.01237   3.11082
   D179       0.00407  -0.00005  -0.00069   0.00051  -0.00017   0.00390
   D180      -3.11400  -0.00011   0.00403  -0.00984  -0.00581  -3.11980
   D181      -3.12243  -0.00002  -0.00556   0.01182   0.00628  -3.11615
   D182       0.04269  -0.00008  -0.00084   0.00148   0.00064   0.04333
   D183      -0.00410  -0.00006  -0.00563   0.01029   0.00465   0.00055
   D184       3.14049   0.00005   0.00049  -0.00067  -0.00019   3.14030
   D185       3.12087  -0.00009  -0.00024  -0.00219  -0.00243   3.11843
   D186      -0.01773   0.00002   0.00587  -0.01314  -0.00727  -0.02501
   D187       0.00059  -0.00006   0.00060  -0.00182  -0.00122  -0.00063
   D188      -3.08882  -0.00028   0.00862  -0.02054  -0.01193  -3.10075
   D189       3.12254   0.00000  -0.00336   0.00687   0.00351   3.12605
   D190       0.03313  -0.00021   0.00466  -0.01186  -0.00721   0.02592
   D191       3.09790   0.00034  -0.00443   0.01352   0.00908   3.10698
   D192      -0.02960   0.00010  -0.00597   0.01310   0.00713  -0.02246
   D193      -0.01781   0.00027   0.00075   0.00213   0.00287  -0.01494
   D194       3.13789   0.00003  -0.00079   0.00171   0.00092   3.13881
   D195      -3.10166  -0.00029   0.00319  -0.01019  -0.00701  -3.10867
   D196       0.02083  -0.00001   0.00283  -0.00567  -0.00285   0.01798
   D197      -0.02411  -0.00000  -0.00677   0.01297   0.00621  -0.01790
   D198       3.09838   0.00027  -0.00713   0.01750   0.01037   3.10875
   D199       0.00517   0.00005  -0.00054   0.00121   0.00066   0.00583
   D200      -3.11874   0.00000   0.00220  -0.00381  -0.00161  -3.12035
   D201       3.09460   0.00022  -0.01074   0.02351   0.01280   3.10740
   D202      -0.02931   0.00016  -0.00799   0.01849   0.01052  -0.01879
   D203       3.09873   0.00027  -0.00218   0.00796   0.00577   3.10450
   D204      -0.02488  -0.00005  -0.00409   0.00826   0.00417  -0.02071
   D205       0.02121   0.00006   0.01029  -0.01943  -0.00916   0.01205
   D206      -3.10239  -0.00026   0.00838  -0.01913  -0.01077  -3.11316
   D207      -0.00183  -0.00001  -0.00023   0.00077   0.00055  -0.00128
   D208       3.12317   0.00001   0.00694  -0.01436  -0.00742   3.11575
   D209       3.11867   0.00004  -0.00352   0.00673   0.00322   3.12189
   D210      -0.03951   0.00005   0.00364  -0.00840  -0.00475  -0.04426
   D211       0.01763  -0.00032  -0.00086  -0.00374  -0.00459   0.01304
   D212      -3.13961  -0.00001   0.00192  -0.00475  -0.00282   3.14076
   D213      -3.10074  -0.00038   0.00275  -0.01029  -0.00755  -3.10829
   D214       0.02521  -0.00007   0.00553  -0.01131  -0.00578   0.01943
   D215      -0.00218  -0.00004   0.00091  -0.00248  -0.00157  -0.00375
   D216       3.09779   0.00010  -0.00274   0.00602   0.00328   3.10107
   D217      -3.12990  -0.00006  -0.00507   0.01014   0.00508  -3.12483
   D218      -0.02994   0.00008  -0.00872   0.01864   0.00993  -0.02001
   D219      -3.11542  -0.00001  -0.00268   0.00655   0.00387  -3.11155
   D220       0.01791   0.00001  -0.00637   0.01525   0.00888   0.02679
   D221       0.00791   0.00000   0.00521  -0.01012  -0.00490   0.00300
   D222       3.14124   0.00002   0.00152  -0.00141   0.00010   3.14134
   D223       3.12031   0.00007   0.00254  -0.00515  -0.00261   3.11769
   D224      -0.00550   0.00000   0.00332  -0.00800  -0.00467  -0.01017
   D225       0.02985  -0.00010   0.00705  -0.01566  -0.00862   0.02123
   D226      -3.09596  -0.00017   0.00784  -0.01851  -0.01068  -3.10664
   D227       0.01560  -0.00008   0.00042  -0.00104  -0.00062   0.01498
   D228      -3.13170  -0.00012  -0.00180   0.00199   0.00019  -3.13151
   D229      -3.12312  -0.00001  -0.00035   0.00151   0.00115  -3.12197
   D230       0.01276  -0.00004  -0.00258   0.00454   0.00196   0.01472
   D231      -0.00856  -0.00005  -0.00064  -0.00044  -0.00108  -0.00964
   D232       3.13460  -0.00009  -0.00088  -0.00046  -0.00133   3.13327
   D233       3.13874  -0.00001   0.00158  -0.00347  -0.00189   3.13685
   D234      -0.00129  -0.00005   0.00134  -0.00348  -0.00214  -0.00343
   D235      -0.01801   0.00019   0.00070   0.00128   0.00198  -0.01603
   D236       3.11801   0.00008   0.00211  -0.00545  -0.00335   3.11466
   D237       3.12202   0.00023   0.00094   0.00129   0.00224   3.12426
   D238      -0.02514   0.00012   0.00235  -0.00544  -0.00310  -0.02823
   D239      -0.01623   0.00016   0.00149  -0.00070   0.00079  -0.01545
   D240       3.13917   0.00003   0.00017   0.00108   0.00125   3.14042
   D241       3.10416   0.00014  -0.00132   0.00464   0.00332   3.10748
   D242      -0.02362   0.00001  -0.00263   0.00642   0.00378  -0.01983
   D243      -0.00805  -0.00022  -0.00435   0.00541   0.00106  -0.00698
   D244      -3.14063  -0.00007   0.00052  -0.00166  -0.00114   3.14141
   D245       3.11962  -0.00008  -0.00301   0.00364   0.00062   3.12025
   D246      -0.01296   0.00007   0.00186  -0.00344  -0.00158  -0.01454
   D247       0.01099   0.00012   0.00431  -0.00635  -0.00203   0.00896
   D248      -3.11995   0.00013   0.00359  -0.00443  -0.00083  -3.12078
   D249      -3.13963  -0.00003  -0.00057   0.00075   0.00019  -3.13945
   D250       0.01261  -0.00002  -0.00129   0.00267   0.00139   0.01399
   D251      -0.00517  -0.00011  -0.00379   0.00598   0.00219  -0.00298
   D252      -3.13964  -0.00015  -0.00128   0.00083  -0.00044  -3.14008
   D253       3.12231   0.00013  -0.00227   0.00641   0.00414   3.12645
   D254      -0.01216   0.00009   0.00024   0.00126   0.00150  -0.01066
   D255       0.01415  -0.00011   0.00156  -0.00473  -0.00316   0.01099
   D256      -3.11925  -0.00015   0.00373  -0.00774  -0.00401  -3.12326
   D257      -3.13456  -0.00007  -0.00093   0.00042  -0.00052  -3.13508
   D258       0.01522  -0.00010   0.00123  -0.00259  -0.00137   0.01386
   D259       0.00059   0.00016   0.00368  -0.00475  -0.00107  -0.00047
   D260      -3.12198  -0.00011   0.00402  -0.00921  -0.00519  -3.12717
   D261       3.13402   0.00019   0.00153  -0.00175  -0.00022   3.13380
   D262       0.01144  -0.00008   0.00187  -0.00621  -0.00435   0.00710
   D263       0.01234  -0.00012   0.00061  -0.00304  -0.00242   0.00992
   D264      -3.13780  -0.00007  -0.00037  -0.00022  -0.00059  -3.13839
   D265      -3.11751  -0.00010   0.00434  -0.01026  -0.00592  -3.12343
   D266       0.01553  -0.00006   0.00336  -0.00744  -0.00409   0.01144
   D267       0.01049  -0.00005   0.00232  -0.00512  -0.00280   0.00769
   D268      -3.14020  -0.00002   0.00372  -0.00813  -0.00441   3.13857
   D269      -3.12254  -0.00009   0.00333  -0.00795  -0.00462  -3.12716
   D270       0.00996  -0.00006   0.00473  -0.01096  -0.00624   0.00372
   D271      -0.01449   0.00013   0.00025   0.00137   0.00162  -0.01287
   D272       3.12410   0.00002  -0.00587   0.01235   0.00647   3.13057
   D273       3.13622   0.00010  -0.00114   0.00439   0.00324   3.13946
   D274      -0.00838  -0.00001  -0.00727   0.01537   0.00809  -0.00028
   D275       0.01292  -0.00008  -0.00045  -0.00060  -0.00104   0.01188
   D276      -3.14037   0.00001   0.00307  -0.00511  -0.00204   3.14077
   D277      -3.12042  -0.00010   0.00326  -0.00930  -0.00604  -3.12646
   D278       0.00948  -0.00000   0.00677  -0.01381  -0.00704   0.00243
   D279      -0.01276   0.00007  -0.00113   0.00339   0.00226  -0.01050
   D280       3.12005   0.00014  -0.00008   0.00313   0.00304   3.12309
   D281       3.14049  -0.00003  -0.00462   0.00789   0.00327  -3.13942
   D282      -0.00989   0.00004  -0.00358   0.00763   0.00405  -0.00584
   D283      -0.00865   0.00003  -0.00214   0.00470   0.00256  -0.00609
   D284       3.11730   0.00010  -0.00291   0.00750   0.00459   3.12188
   D285      -3.14149  -0.00004  -0.00318   0.00498   0.00179  -3.13970
   D286      -0.01555   0.00003  -0.00395   0.00777   0.00382  -0.01173
   D287      -0.00223  -0.00013  -0.00406   0.00627   0.00220  -0.00004
   D288      -3.14012  -0.00015  -0.00192   0.00310   0.00118  -3.13894
   D289       3.12158   0.00018  -0.00217   0.00594   0.00376   3.12534
   D290      -0.01631   0.00016  -0.00003   0.00277   0.00274  -0.01357
   D291      -0.00884  -0.00001  -0.00453   0.00805   0.00352  -0.00532
   D292       3.13587   0.00004  -0.00011   0.00089   0.00079   3.13666
   D293       3.12903   0.00001  -0.00669   0.01123   0.00454   3.13357
   D294      -0.00944   0.00006  -0.00227   0.00407   0.00180  -0.00764
   D295       0.00091   0.00024   0.00693  -0.00920  -0.00226  -0.00136
   D296      -3.12505  -0.00007   0.00417  -0.00819  -0.00402  -3.12907
   D297       3.13937   0.00018   0.00250  -0.00202   0.00048   3.13985
   D298       0.01341  -0.00012  -0.00027  -0.00101  -0.00127   0.01214
   D299       2.10026   0.00063  -0.01060  -0.08971  -0.09963   2.00063
   D300      -0.06244  -0.02937   0.00017  -0.15917  -0.15958  -0.22202
   D301      -2.28732  -0.00336  -0.00160  -0.11412  -0.11583  -2.40315
   D302       1.31335   0.00630  -0.01171   0.04612   0.03451   1.34786
   D303      -2.84258   0.00366  -0.01573   0.04388   0.02789  -2.81469
   D304      -0.54168  -0.00733  -0.01440   0.02736   0.01312  -0.52856
   D305      -2.44481  -0.03787  -0.13212   0.02554  -0.10643  -2.55124
   D306      -0.31172  -0.06942  -0.14781  -0.00038  -0.14814  -0.45986
   D307       1.72405  -0.03585  -0.13573   0.04522  -0.09071   1.63334
   D308       2.92037  -0.00115   0.03392  -0.08778  -0.05386   2.86651
   D309      -1.26217  -0.00147   0.03427  -0.08801  -0.05374  -1.31591
   D310       0.81619  -0.00070   0.03276  -0.08635  -0.05359   0.76260
   D311      -2.98078   0.01487   0.00658  -0.01100  -0.00433  -2.98511
   D312      -0.89753   0.01491   0.00535  -0.00963  -0.00418  -0.90171
   D313       1.22997   0.01475   0.00683  -0.00936  -0.00242   1.22755
   D314       1.21981  -0.01135   0.02496  -0.06540  -0.04035   1.17946
   D315      -2.98012  -0.01132   0.02373  -0.06402  -0.04021  -3.02033
   D316      -0.85262  -0.01148   0.02522  -0.06375  -0.03844  -0.89106
   D317      -0.95615  -0.00417   0.01501  -0.04842  -0.03361  -0.98976
   D318       1.12710  -0.00413   0.01378  -0.04705  -0.03346   1.09364
   D319      -3.02858  -0.00429   0.01526  -0.04678  -0.03170  -3.06028
   D320      -0.84570  -0.03683  -0.14833   0.15814   0.01130  -0.83439
   D321       1.23147  -0.03306  -0.15922   0.16622   0.00661   1.23808
   D322      -2.83711  -0.04594  -0.15610   0.13962  -0.01758  -2.85469
   D323      -2.91997  -0.00074   0.03694  -0.10672  -0.06978  -2.98975
   D324      -0.83694  -0.00064   0.03546  -0.10411  -0.06865  -0.90560
   D325       1.26473  -0.00058   0.03748  -0.10610  -0.06862   1.19611
   D326       1.28217  -0.00054   0.03623  -0.10244  -0.06621   1.21596
   D327      -2.91799  -0.00044   0.03475  -0.09983  -0.06509  -2.98308
   D328      -0.81632  -0.00038   0.03677  -0.10182  -0.06505  -0.88137
   D329      -0.83983  -0.00066   0.03685  -0.10533  -0.06848  -0.90831
   D330       1.24320  -0.00055   0.03537  -0.10272  -0.06736   1.17584
   D331      -2.93831  -0.00049   0.03739  -0.10471  -0.06732  -3.00564
         Item               Value     Threshold  Converged?
 Maximum Force            0.104297     0.000450     NO 
 RMS     Force            0.007473     0.000300     NO 
 Maximum Displacement     1.571019     0.001800     NO 
 RMS     Displacement     0.196788     0.001200     NO 
 Predicted change in Energy=-1.530435D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.561611    3.247497    0.038943
      2          6           0       -2.754691    1.869422    0.060419
      3          6           0       -1.666061    0.982163    0.010973
      4          6           0       -0.363623    1.519738   -0.037309
      5          6           0       -0.177942    2.909299   -0.079627
      6          6           0       -1.258964    3.769134   -0.039722
      7          6           0       -1.835288   -0.472135   -0.087909
      8          6           0       -0.694672   -1.327382   -0.062697
      9          6           0        0.606003   -0.774543    0.219435
     10          6           0        0.801998    0.639742   -0.030609
     11          6           0       -3.096988   -1.053868   -0.270083
     12          6           0       -3.248646   -2.419162   -0.512153
     13          6           0       -2.104115   -3.231127   -0.626728
     14          6           0       -0.860122   -2.688760   -0.397821
     15          7           0        1.713298   -1.561253    0.450730
     16          6           0        2.984221   -0.996763    0.231031
     17          6           0        3.057935    0.337551   -0.259934
     18          7           0        1.971139    1.142091   -0.345911
     19          6           0        4.194207   -1.704757    0.374170
     20          6           0        5.405417   -1.136328    0.029904
     21          6           0        5.474359    0.169483   -0.504224
     22          6           0        4.300642    0.883967   -0.648763
     23          7           0       -3.671592    4.125445    0.086533
     24          7           0       -4.522422   -2.990633   -0.670933
     25          7           0        6.726441    0.727759   -0.844632
     26          6           0       -4.960532   -4.171120   -0.042028
     27          6           0       -6.296340   -4.428598   -0.429182
     28          6           0       -6.688865   -3.364559   -1.328537
     29          6           0       -5.579076   -2.494492   -1.454407
     30          6           0       -3.859143    5.154967    1.018594
     31          6           0       -5.073293    5.823986    0.729435
     32          6           0       -5.642401    5.176908   -0.432562
     33          6           0       -4.753753    4.135859   -0.801177
     34          6           0        7.215711    1.975832   -0.427633
     35          6           0        8.492968    2.181982   -1.002049
     36          6           0        8.788745    1.016262   -1.806433
     37          6           0        7.679388    0.143085   -1.689375
     38          6           0       -7.864163   -3.096396   -2.035739
     39          6           0       -7.919067   -1.977142   -2.858907
     40          6           0       -6.803222   -1.137662   -2.992219
     41          6           0       -5.618479   -1.386944   -2.303445
     42          6           0       -4.299385   -4.982475    0.882487
     43          6           0       -4.987581   -6.086199    1.381068
     44          6           0       -6.304941   -6.369161    0.988095
     45          6           0       -6.966121   -5.541247    0.087731
     46          6           0       -6.797934    5.398250   -1.188735
     47          6           0       -7.043075    4.600617   -2.301748
     48          6           0       -6.141399    3.587491   -2.665852
     49          6           0       -4.988694    3.340401   -1.924830
     50          6           0       -3.073062    5.508094    2.116988
     51          6           0       -3.510403    6.565725    2.910291
     52          6           0       -4.704160    7.249897    2.629712
     53          6           0       -5.492804    6.879078    1.546613
     54          6           0        9.868094    0.657773   -2.619706
     55          6           0        9.829461   -0.552739   -3.303515
     56          6           0        8.715656   -1.399378   -3.191723
     57          6           0        7.626775   -1.064535   -2.389625
     58          6           0        6.648884    2.907319    0.444689
     59          6           0        7.377587    4.061069    0.723155
     60          6           0        8.639364    4.287984    0.151045
     61          6           0        9.200730    3.353330   -0.711806
     62          8           0        0.161048   -3.109877    2.169133
     63         15           0        1.510804   -2.991264    1.608163
     64          8           0        2.763615   -2.838657    2.576621
     65          8           0        1.827250   -4.255931    0.676217
     66          6           0        2.651907   -2.532036    4.039524
     67          6           0        3.840446   -1.680212    4.415120
     68          6           0        3.070096   -4.811834    0.184797
     69          6           0        2.774206   -6.214891   -0.315680
     70          1           0       -3.768911    1.501934    0.135312
     71          1           0        0.833905    3.290768   -0.126425
     72          1           0       -1.113422    4.842970   -0.077821
     73          1           0       -3.987414   -0.445129   -0.210889
     74          1           0       -2.208301   -4.270326   -0.913950
     75          1           0        0.011443   -3.319812   -0.518685
     76          1           0        4.210567   -2.690424    0.804105
     77          1           0        6.321716   -1.694305    0.183353
     78          1           0        4.294754    1.892176   -1.043242
     79          1           0       -8.721456   -3.756957   -1.946006
     80          1           0       -8.828933   -1.752500   -3.406186
     81          1           0       -6.860845   -0.271542   -3.645777
     82          1           0       -4.758476   -0.743033   -2.436797
     83          1           0       -3.292271   -4.758361    1.219269
     84          1           0       -4.493208   -6.732095    2.100284
     85          1           0       -6.811840   -7.237925    1.396193
     86          1           0       -7.991983   -5.748900   -0.201878
     87          1           0       -7.489749    6.191685   -0.915868
     88          1           0       -7.936133    4.764241   -2.897027
     89          1           0       -6.341520    2.986331   -3.548164
     90          1           0       -4.291502    2.565101   -2.220740
     91          1           0       -2.158342    4.976610    2.353176
     92          1           0       -2.915487    6.862026    3.768788
     93          1           0       -5.016868    8.068229    3.270830
     94          1           0       -6.421337    7.401599    1.335498
     95          1           0       10.724670    1.318142   -2.718405
     96          1           0       10.660966   -0.841805   -3.938548
     97          1           0        8.695794   -2.332726   -3.746714
     98          1           0        6.764831   -1.717742   -2.325586
     99          1           0        5.682937    2.738959    0.905417
    100          1           0        6.958125    4.798661    1.400687
    101          1           0        9.178534    5.200195    0.385928
    102          1           0       10.182173    3.523790   -1.145252
    103          1           0        1.732347   -1.989292    4.269950
    104          1           0        2.658778   -3.515029    4.519095
    105          1           0        3.871591   -1.574983    5.504476
    106          1           0        4.779814   -2.138028    4.087163
    107          1           0        3.737357   -0.686362    3.974482
    108          1           0        3.447673   -4.178333   -0.622925
    109          1           0        3.801275   -4.829646    0.999317
    110          1           0        3.710537   -6.728881   -0.553019
    111          1           0        2.250275   -6.789181    0.453053
    112          1           0        2.152799   -6.191102   -1.214615
    113         17           0        0.766155    0.175710    2.967123
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0359924           0.0181291           0.0138652
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10654.9722029614 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.00D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Lowest energy guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999978   -0.001305    0.002054   -0.006214 Ang=  -0.76 deg.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999974    0.002765   -0.005184   -0.004099 Ang=   0.82 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.46931518     A.U. after   16 cycles
            NFock= 16  Conv=0.32D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.001040272    0.000499047   -0.000244521
      2        6          -0.000258437   -0.000504629    0.000498157
      3        6          -0.001196300    0.000461872    0.000187312
      4        6          -0.000077550    0.000291628    0.000869750
      5        6           0.000740053    0.000333301    0.001381530
      6        6          -0.000420118    0.000914276   -0.000575071
      7        6           0.000131294   -0.001157147    0.000339000
      8        6          -0.000540107   -0.000208295    0.001886856
      9        6           0.002446360   -0.000462726    0.003258229
     10        6           0.000864920   -0.000010143   -0.004570003
     11        6          -0.000564367    0.000910881   -0.000186638
     12        6           0.001615456   -0.000573870   -0.000133477
     13        6          -0.000015430    0.000162788   -0.000662566
     14        6           0.000805847   -0.001434659    0.000322078
     15        7          -0.000006643   -0.001926948    0.002361728
     16        6           0.001546259   -0.000233659   -0.001367893
     17        6           0.005271252   -0.002536353    0.000008995
     18        7          -0.005648124    0.002258676    0.002464221
     19        6          -0.000636173   -0.000776300    0.001669861
     20        6          -0.000021382    0.001540235   -0.000818836
     21        6           0.000451066   -0.001979897    0.000976615
     22        6          -0.000563347    0.001602918    0.000721199
     23        7          -0.000881406    0.000408616    0.000282884
     24        7          -0.001519188   -0.000319091    0.000208501
     25        7          -0.000119517    0.001118176   -0.001016060
     26        6           0.000336691   -0.000183516    0.000812984
     27        6          -0.000197276    0.000361691   -0.000336934
     28        6          -0.000292238   -0.000324471   -0.000140592
     29        6           0.000286041    0.000230061   -0.000330008
     30        6           0.000408125   -0.000292482    0.001205270
     31        6          -0.000578686   -0.000458460    0.000134025
     32        6          -0.000226217    0.000022190   -0.000053948
     33        6          -0.000290185   -0.000328486   -0.001135729
     34        6          -0.000454093    0.000166933    0.000713551
     35        6           0.000716899    0.000472368    0.000121789
     36        6          -0.000407380    0.000527037   -0.000471062
     37        6           0.000319250   -0.001026466   -0.000771237
     38        6          -0.000641164   -0.000736535    0.000161005
     39        6          -0.000620285    0.000422736   -0.000275560
     40        6          -0.000353614    0.001355121   -0.000983158
     41        6           0.000123995    0.000417050    0.000038018
     42        6           0.001706072    0.000263382    0.000373889
     43        6           0.000392163   -0.000171238    0.001007244
     44        6           0.000324473   -0.001013186   -0.000092161
     45        6          -0.000936438   -0.000270940    0.000004394
     46        6          -0.000856619    0.000998662   -0.000055261
     47        6          -0.000673321   -0.000156620   -0.000179713
     48        6          -0.000423615   -0.000340243   -0.000629263
     49        6           0.000499868   -0.000193401   -0.000148936
     50        6           0.000898467    0.000397804    0.000347909
     51        6           0.000642785    0.000235374    0.000719170
     52        6          -0.000280469    0.000297952    0.000597350
     53        6          -0.000422717    0.000796743   -0.000748027
     54        6           0.000947352    0.000207796    0.000216983
     55        6           0.000368015   -0.000173721   -0.000753016
     56        6          -0.000241454   -0.000610855   -0.000164264
     57        6          -0.000090375   -0.000199264   -0.000066991
     58        6          -0.000256436   -0.000128735    0.000787874
     59        6          -0.000493636    0.000477191    0.000485468
     60        6          -0.000199891    0.000564896   -0.000418478
     61        6           0.001288430    0.000048814    0.000098301
     62        8          -0.000812350    0.002304519    0.001113285
     63       15           0.003035523    0.001007231    0.006165054
     64        8          -0.006179851    0.001209556    0.001510289
     65        8           0.003098361    0.001112640   -0.004139910
     66        6           0.001830308   -0.001523008   -0.001897774
     67        6           0.002909174   -0.001024852   -0.001598777
     68        6          -0.000630134   -0.001843535    0.000737829
     69        6          -0.000166980   -0.000227809    0.000909960
     70        1          -0.000772462   -0.000447474    0.000301757
     71        1           0.000324562    0.000297847   -0.000291694
     72        1          -0.000103730    0.000077497    0.000163750
     73        1          -0.000812355    0.000478042   -0.000566248
     74        1           0.000141563   -0.000089563    0.000107776
     75        1          -0.001247159    0.000158832   -0.000792947
     76        1          -0.000154972   -0.000045274    0.000489280
     77        1           0.000227558   -0.000308643    0.000070019
     78        1          -0.000004232    0.000527566   -0.000212106
     79        1           0.000011539   -0.000104992    0.000118700
     80        1          -0.000041509    0.000031294   -0.000156439
     81        1           0.000271926   -0.000505308    0.000096149
     82        1           0.000594792    0.000713226    0.000226731
     83        1          -0.000797561   -0.000429773   -0.000222399
     84        1           0.000005409   -0.000040383   -0.000008323
     85        1          -0.000028871    0.000007457    0.000106122
     86        1          -0.000088949    0.000095726   -0.000066407
     87        1           0.000629293   -0.000561109   -0.000160771
     88        1           0.000113094   -0.000028039   -0.000081090
     89        1          -0.000065799   -0.000128050    0.000158058
     90        1           0.000364504   -0.000337708   -0.000102067
     91        1           0.000231202   -0.000225186    0.000057067
     92        1           0.000187811   -0.000100939    0.000097666
     93        1           0.000079350    0.000052355   -0.000004944
     94        1          -0.000141602   -0.000174486    0.000050013
     95        1          -0.000094484    0.000179336    0.000030597
     96        1           0.000101546   -0.000033169    0.000055833
     97        1           0.000006847   -0.000024609    0.000129418
     98        1          -0.000541226   -0.000467287    0.000119172
     99        1          -0.000603960   -0.000217138    0.000048164
    100        1          -0.000124427   -0.000105883    0.000015234
    101        1           0.000082202    0.000057347    0.000020001
    102        1          -0.000115121   -0.000135590   -0.000100151
    103        1          -0.002814247   -0.002902948   -0.008271301
    104        1          -0.000284763    0.001282947    0.000905008
    105        1          -0.000398615    0.000170836    0.000105875
    106        1          -0.000116027    0.000758865    0.000705823
    107        1           0.000265670    0.000026409   -0.000258731
    108        1           0.000493635   -0.000121256    0.000106463
    109        1          -0.000479970    0.000036034    0.000439017
    110        1           0.000062839    0.000393702   -0.000795071
    111        1           0.000602417    0.000032575    0.000050540
    112        1          -0.000345625    0.000006050    0.000271399
    113       17          -0.000471342    0.001102243   -0.003687635
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008271301 RMS     0.001181039

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.027080844 RMS     0.002047312
 Search for a local minimum.
 Step number  13 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   12   11   13
 DE= -2.71D-03 DEPred=-1.53D-02 R= 1.77D-01
 Trust test= 1.77D-01 RLast= 8.78D-01 DXMaxT set to 6.42D-01
 ITU=  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00486   0.00725   0.00939   0.01089   0.01161
     Eigenvalues ---    0.01349   0.01596   0.01834   0.02139   0.02476
     Eigenvalues ---    0.02486   0.02537   0.02552   0.02586   0.02603
     Eigenvalues ---    0.02634   0.02655   0.02674   0.02680   0.02697
     Eigenvalues ---    0.02702   0.02706   0.02711   0.02717   0.02730
     Eigenvalues ---    0.02736   0.02746   0.02770   0.02789   0.02796
     Eigenvalues ---    0.02802   0.02811   0.02813   0.02815   0.02820
     Eigenvalues ---    0.02826   0.02848   0.02858   0.02865   0.02869
     Eigenvalues ---    0.02873   0.02876   0.02882   0.02893   0.02898
     Eigenvalues ---    0.02901   0.02903   0.02906   0.02909   0.02915
     Eigenvalues ---    0.02917   0.02918   0.02923   0.02925   0.02935
     Eigenvalues ---    0.02944   0.02947   0.02950   0.02951   0.02952
     Eigenvalues ---    0.02953   0.02956   0.02963   0.02964   0.02966
     Eigenvalues ---    0.02967   0.02977   0.02986   0.02991   0.02992
     Eigenvalues ---    0.03000   0.03015   0.03019   0.03021   0.03031
     Eigenvalues ---    0.03041   0.03053   0.03059   0.03063   0.03070
     Eigenvalues ---    0.03083   0.03089   0.03098   0.03114   0.03120
     Eigenvalues ---    0.03131   0.03139   0.03154   0.03167   0.03178
     Eigenvalues ---    0.03179   0.03192   0.03225   0.03245   0.03252
     Eigenvalues ---    0.03278   0.03317   0.03378   0.03597   0.03741
     Eigenvalues ---    0.05450   0.05570   0.05732   0.05871   0.05882
     Eigenvalues ---    0.05943   0.06246   0.06561   0.08253   0.10764
     Eigenvalues ---    0.11218   0.11395   0.12134   0.12819   0.13564
     Eigenvalues ---    0.14784   0.15948   0.15976   0.15987   0.15995
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16004
     Eigenvalues ---    0.16007   0.16010   0.16028   0.16078   0.17563
     Eigenvalues ---    0.18888   0.20334   0.21548   0.21842   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22006   0.22067
     Eigenvalues ---    0.22315   0.22419   0.22456   0.22567   0.22598
     Eigenvalues ---    0.22599   0.22610   0.22642   0.22662   0.23229
     Eigenvalues ---    0.23451   0.23464   0.23638   0.23953   0.24031
     Eigenvalues ---    0.24281   0.24424   0.24460   0.24470   0.24497
     Eigenvalues ---    0.24529   0.24547   0.24563   0.24608   0.24735
     Eigenvalues ---    0.24899   0.24914   0.24950   0.24961   0.24965
     Eigenvalues ---    0.24969   0.24971   0.24973   0.24983   0.24991
     Eigenvalues ---    0.24994   0.25053   0.25270   0.25290   0.25904
     Eigenvalues ---    0.26493   0.27166   0.27790   0.28305   0.28342
     Eigenvalues ---    0.28746   0.28850   0.29203   0.29328   0.29650
     Eigenvalues ---    0.30058   0.30437   0.30635   0.30657   0.30784
     Eigenvalues ---    0.30917   0.31060   0.31127   0.31256   0.31356
     Eigenvalues ---    0.31387   0.31486   0.31657   0.32000   0.32141
     Eigenvalues ---    0.32233   0.32622   0.33153   0.33442   0.33548
     Eigenvalues ---    0.33956   0.34022   0.34177   0.34497   0.34670
     Eigenvalues ---    0.34889   0.34937   0.35156   0.35489   0.35579
     Eigenvalues ---    0.36032   0.36390   0.36779   0.37134   0.37309
     Eigenvalues ---    0.38941   0.40142   0.41464   0.41532   0.42041
     Eigenvalues ---    0.42483   0.42829   0.43358   0.44212   0.45222
     Eigenvalues ---    0.46090   0.46442   0.47090   0.47094   0.47185
     Eigenvalues ---    0.47701   0.47842   0.48417   0.49816   0.50054
     Eigenvalues ---    0.50355   0.50565   0.50698   0.51675   0.51801
     Eigenvalues ---    0.51985   0.52089   0.52253   0.52640   0.53101
     Eigenvalues ---    0.53140   0.53423   0.53785   0.54279   0.54334
     Eigenvalues ---    0.55007   0.55249   0.55582   0.55660   0.55869
     Eigenvalues ---    0.56079   0.56202   0.56212   0.56490   0.56686
     Eigenvalues ---    0.56927   0.57170   0.57199   0.57259   0.57834
     Eigenvalues ---    0.58235   0.58285   0.58319   0.58425   0.58538
     Eigenvalues ---    0.58669   0.58917   0.58999   0.59372   0.59486
     Eigenvalues ---    0.59801   0.59823   0.60151   0.60676   0.60884
     Eigenvalues ---    0.61827   0.62541   0.63244   0.63593   0.64495
     Eigenvalues ---    0.65275   0.66013   0.66762   0.67798   0.68872
     Eigenvalues ---    0.72085   0.72971   0.73434   0.74609   0.80378
     Eigenvalues ---    0.82845   0.86522   1.38564
 RFO step:  Lambda=-3.91173979D-03 EMin= 4.85960920D-03
 Quartic linear search produced a step of -0.30941.
 Iteration  1 RMS(Cart)=  0.12759874 RMS(Int)=  0.00296149
 Iteration  2 RMS(Cart)=  0.00628366 RMS(Int)=  0.00008728
 Iteration  3 RMS(Cart)=  0.00003510 RMS(Int)=  0.00008296
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00008296
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.62993   0.00066   0.00086  -0.00077   0.00010   2.63003
    R2        2.65584   0.00055   0.00142  -0.00067   0.00074   2.65659
    R3        2.67589   0.00063  -0.00102   0.00334   0.00231   2.67820
    R4        2.65558   0.00015   0.00031   0.00012   0.00044   2.65602
    R5        2.04344   0.00092  -0.00006   0.00178   0.00172   2.04516
    R6        2.66422   0.00077   0.00043  -0.00003   0.00056   2.66479
    R7        2.77307   0.00036   0.00023   0.00115   0.00152   2.77460
    R8        2.65044   0.00137   0.00176  -0.00103   0.00073   2.65117
    R9        2.75998   0.00150   0.00021   0.00249   0.00269   2.76267
   R10        2.61132   0.00121  -0.00015   0.00186   0.00171   2.61303
   R11        2.04540   0.00044  -0.00009   0.00072   0.00064   2.04603
   R12        2.04907   0.00007  -0.00072   0.00042  -0.00030   2.04878
   R13        2.69449   0.00119   0.00190  -0.00096   0.00093   2.69543
   R14        2.64797   0.00004   0.00029   0.00000   0.00030   2.64826
   R15        2.72342   0.00293  -0.00076   0.00528   0.00440   2.72782
   R16        2.66782   0.00182   0.00265  -0.00116   0.00149   2.66930
   R17        2.73921   0.00114  -0.00286   0.00679   0.00354   2.74276
   R18        2.60379  -0.00046   0.00132  -0.00175  -0.00060   2.60319
   R19        2.47739  -0.00093   0.00253  -0.00375  -0.00129   2.47610
   R20        2.63590   0.00029   0.00043  -0.00054  -0.00011   2.63579
   R21        2.04136   0.00088   0.00044   0.00133   0.00176   2.04313
   R22        2.66067   0.00035   0.00165  -0.00118   0.00048   2.66115
   R23        2.65525   0.00131  -0.00080   0.00368   0.00288   2.65813
   R24        2.60075   0.00065  -0.00098   0.00196   0.00097   2.60172
   R25        2.04692   0.00005  -0.00038  -0.00011  -0.00048   2.04644
   R26        2.04620  -0.00102  -0.00091  -0.00017  -0.00107   2.04513
   R27        2.66053   0.00110  -0.00141   0.00441   0.00306   2.66359
   R28        3.49757  -0.00604  -0.00417  -0.00066  -0.00482   3.49275
   R29        2.69037   0.00042   0.00132   0.00039   0.00194   2.69231
   R30        2.66298  -0.00047  -0.00037   0.00080   0.00042   2.66340
   R31        2.56042   0.00587  -0.00151   0.00703   0.00568   2.56610
   R32        2.66852   0.00003   0.00057  -0.00020   0.00038   2.66890
   R33        2.61074   0.00119  -0.00015   0.00107   0.00091   2.61165
   R34        2.03236   0.00020   0.00032  -0.00001   0.00031   2.03267
   R35        2.66926   0.00003   0.00211  -0.00230  -0.00019   2.66907
   R36        2.04797   0.00034   0.00025   0.00070   0.00095   2.04892
   R37        2.61096   0.00088   0.00015  -0.00002   0.00013   2.61110
   R38        2.66931   0.00066  -0.00165   0.00386   0.00220   2.67151
   R39        2.04591   0.00056   0.00013   0.00123   0.00136   2.04728
   R40        2.64820   0.00071   0.00165  -0.00125   0.00041   2.64861
   R41        2.64508   0.00088   0.00256  -0.00239   0.00016   2.64524
   R42        2.65976   0.00087   0.00134  -0.00078   0.00057   2.66033
   R43        2.65673   0.00034   0.00197  -0.00132   0.00065   2.65738
   R44        2.65300   0.00039   0.00262  -0.00245   0.00017   2.65317
   R45        2.64801   0.00080   0.00195  -0.00135   0.00060   2.64860
   R46        2.67285   0.00110   0.00032   0.00126   0.00158   2.67443
   R47        2.63895   0.00111   0.00044   0.00105   0.00149   2.64044
   R48        2.73527   0.00132   0.00114   0.00115   0.00229   2.73756
   R49        2.64142   0.00102   0.00081   0.00080   0.00161   2.64304
   R50        2.67547   0.00065   0.00056   0.00047   0.00102   2.67649
   R51        2.64114   0.00093   0.00070   0.00027   0.00097   2.64211
   R52        2.63824   0.00105   0.00072   0.00020   0.00092   2.63916
   R53        2.67606   0.00097   0.00046   0.00172   0.00219   2.67824
   R54        2.63824   0.00123   0.00094   0.00021   0.00115   2.63940
   R55        2.73379   0.00156   0.00093   0.00181   0.00274   2.73654
   R56        2.64358   0.00073   0.00043   0.00047   0.00090   2.64449
   R57        2.67872   0.00046   0.00021   0.00050   0.00071   2.67943
   R58        2.64295   0.00078   0.00052   0.00047   0.00099   2.64393
   R59        2.63923   0.00070   0.00081  -0.00021   0.00060   2.63983
   R60        2.67504   0.00108   0.00029   0.00156   0.00183   2.67687
   R61        2.63880   0.00074   0.00078  -0.00030   0.00047   2.63926
   R62        2.73418   0.00140   0.00108   0.00169   0.00276   2.73694
   R63        2.64374   0.00054   0.00073  -0.00021   0.00052   2.64426
   R64        2.67702   0.00083   0.00053   0.00076   0.00129   2.67832
   R65        2.64219   0.00084   0.00051   0.00051   0.00102   2.64321
   R66        2.63985   0.00054   0.00017   0.00001   0.00019   2.64004
   R67        2.62757   0.00152   0.00089   0.00110   0.00200   2.62957
   R68        2.05220   0.00008  -0.00011   0.00023   0.00012   2.05232
   R69        2.65075   0.00103   0.00055   0.00070   0.00126   2.65201
   R70        2.05088   0.00011  -0.00011  -0.00026  -0.00037   2.05052
   R71        2.63220   0.00081   0.00073   0.00021   0.00093   2.63313
   R72        2.05331  -0.00051  -0.00126  -0.00011  -0.00137   2.05194
   R73        2.04581   0.00088   0.00040   0.00117   0.00157   2.04737
   R74        2.63236   0.00064   0.00045   0.00032   0.00077   2.63313
   R75        2.05097  -0.00092  -0.00129  -0.00261  -0.00390   2.04707
   R76        2.65231   0.00078   0.00059   0.00037   0.00096   2.65327
   R77        2.05177   0.00002  -0.00022   0.00015  -0.00007   2.05171
   R78        2.62751   0.00128   0.00093   0.00041   0.00134   2.62885
   R79        2.05124   0.00004  -0.00004  -0.00004  -0.00008   2.05116
   R80        2.05223   0.00007  -0.00005   0.00010   0.00004   2.05228
   R81        2.62876   0.00080   0.00025   0.00063   0.00088   2.62965
   R82        2.05503  -0.00085  -0.00124  -0.00159  -0.00284   2.05220
   R83        2.65371   0.00055   0.00037   0.00055   0.00093   2.65465
   R84        2.05162  -0.00006  -0.00034   0.00008  -0.00026   2.05136
   R85        2.63133   0.00078   0.00052   0.00048   0.00099   2.63233
   R86        2.05270  -0.00005  -0.00037  -0.00017  -0.00054   2.05215
   R87        2.04818   0.00050  -0.00021   0.00108   0.00087   2.04905
   R88        2.63153   0.00046   0.00039   0.00019   0.00058   2.63211
   R89        2.04839   0.00031  -0.00045   0.00064   0.00019   2.04858
   R90        2.65362   0.00105   0.00060   0.00104   0.00164   2.65525
   R91        2.05167   0.00015  -0.00004   0.00019   0.00015   2.05182
   R92        2.62704   0.00135   0.00093   0.00058   0.00151   2.62855
   R93        2.05145   0.00001   0.00002   0.00008   0.00010   2.05155
   R94        2.05257   0.00005  -0.00004   0.00010   0.00006   2.05262
   R95        2.62830   0.00109   0.00073   0.00078   0.00151   2.62981
   R96        2.05238   0.00005  -0.00024  -0.00020  -0.00044   2.05194
   R97        2.65226   0.00094   0.00050   0.00113   0.00163   2.65389
   R98        2.05123   0.00005  -0.00023   0.00007  -0.00016   2.05107
   R99        2.63286   0.00037   0.00035   0.00003   0.00038   2.63324
   R100       2.05237  -0.00005  -0.00034  -0.00004  -0.00038   2.05199
   R101       2.04730   0.00072   0.00007   0.00117   0.00124   2.04854
   R102       2.63187   0.00047   0.00055  -0.00043   0.00012   2.63200
   R103       2.04725   0.00059   0.00030   0.00089   0.00119   2.04845
   R104       2.65295   0.00110   0.00064   0.00094   0.00158   2.65453
   R105       2.05193  -0.00000  -0.00018   0.00027   0.00009   2.05203
   R106       2.62748   0.00099   0.00054   0.00069   0.00124   2.62872
   R107       2.05103   0.00009   0.00031  -0.00026   0.00005   2.05108
   R108       2.05291  -0.00009  -0.00049   0.00021  -0.00027   2.05264
   R109       2.77127   0.00074   0.00073  -0.00033   0.00040   2.77167
   R110       3.00623  -0.01157  -0.00855  -0.00549  -0.01403   2.99220
   R111       3.02831   0.00262   0.00490  -0.01024  -0.00533   3.02297
   R112       2.83243  -0.01418  -0.00751  -0.00176  -0.00927   2.82317
   R113       2.73533  -0.00060   0.00041  -0.00139  -0.00098   2.73435
   R114       2.85299   0.00165   0.00081   0.00067   0.00148   2.85446
   R115       2.06427  -0.00094  -0.00088  -0.00118  -0.00206   2.06221
   R116       2.06691  -0.00083  -0.00030  -0.00183  -0.00213   2.06478
   R117       2.06900   0.00009   0.00031  -0.00035  -0.00004   2.06896
   R118       2.06971  -0.00058  -0.00127  -0.00042  -0.00169   2.06802
   R119       2.06364   0.00006  -0.00017   0.00010  -0.00007   2.06357
   R120       2.87002  -0.00036   0.00045  -0.00173  -0.00129   2.86873
   R121       2.06690  -0.00003  -0.00024   0.00078   0.00053   2.06743
   R122       2.06870  -0.00002  -0.00011  -0.00017  -0.00028   2.06842
   R123       2.06770   0.00013  -0.00011  -0.00003  -0.00014   2.06756
   R124       2.06600  -0.00022  -0.00024   0.00016  -0.00007   2.06593
   R125       2.06560  -0.00001  -0.00048   0.00007  -0.00040   2.06519
   R126       5.11209   0.00269   0.05207  -0.01884   0.03323   5.14532
    A1        2.09092   0.00043  -0.00044   0.00334   0.00293   2.09385
    A2        2.09979  -0.00109  -0.00047  -0.00351  -0.00399   2.09580
    A3        2.09245   0.00066   0.00091   0.00018   0.00107   2.09351
    A4        2.11435  -0.00021   0.00009  -0.00304  -0.00291   2.11144
    A5        2.05750   0.00015   0.00015   0.00161   0.00174   2.05924
    A6        2.11117   0.00006  -0.00030   0.00147   0.00116   2.11233
    A7        2.06703   0.00039   0.00065   0.00045   0.00107   2.06810
    A8        2.13976  -0.00034  -0.00057   0.00029  -0.00039   2.13937
    A9        2.07386  -0.00003  -0.00005  -0.00062  -0.00052   2.07334
   A10        2.09567  -0.00021  -0.00063   0.00182   0.00125   2.09692
   A11        2.10295  -0.00003   0.00041  -0.00231  -0.00193   2.10102
   A12        2.08452   0.00023   0.00015   0.00049   0.00064   2.08516
   A13        2.10835  -0.00017   0.00026  -0.00203  -0.00174   2.10661
   A14        2.06489   0.00020   0.00020  -0.00013   0.00005   2.06495
   A15        2.10979  -0.00002  -0.00042   0.00215   0.00173   2.11152
   A16        2.08951  -0.00022   0.00024  -0.00102  -0.00076   2.08875
   A17        2.08742  -0.00001   0.00060  -0.00188  -0.00129   2.08613
   A18        2.10621   0.00024  -0.00088   0.00298   0.00210   2.10831
   A19        2.09554   0.00069   0.00075   0.00069   0.00146   2.09700
   A20        2.12237  -0.00170  -0.00165  -0.00226  -0.00392   2.11846
   A21        2.06414   0.00101   0.00103   0.00129   0.00231   2.06645
   A22        2.08902  -0.00056  -0.00001  -0.00275  -0.00297   2.08604
   A23        2.07198  -0.00121  -0.00287   0.00190  -0.00089   2.07108
   A24        2.12017   0.00177   0.00296   0.00031   0.00337   2.12355
   A25        2.05165  -0.00054   0.00253  -0.00574  -0.00263   2.04902
   A26        2.14019   0.00158   0.00609  -0.00733  -0.00002   2.14017
   A27        2.06846  -0.00077  -0.00274   0.00327   0.00116   2.06963
   A28        2.07231   0.00026   0.00259  -0.00432  -0.00181   2.07050
   A29        2.07118  -0.00010  -0.00361   0.00499   0.00198   2.07316
   A30        2.13642   0.00000   0.00195  -0.00091   0.00094   2.13736
   A31        2.12565  -0.00022  -0.00003  -0.00198  -0.00199   2.12365
   A32        2.09569   0.00019  -0.00052   0.00228   0.00174   2.09744
   A33        2.06175   0.00003   0.00051  -0.00016   0.00033   2.06208
   A34        2.08313   0.00008  -0.00094   0.00285   0.00194   2.08507
   A35        2.11328  -0.00168   0.00070  -0.00800  -0.00732   2.10596
   A36        2.08654   0.00159   0.00020   0.00505   0.00523   2.09176
   A37        2.08745   0.00026   0.00033  -0.00086  -0.00051   2.08694
   A38        2.09055   0.00001   0.00006   0.00028   0.00032   2.09087
   A39        2.10497  -0.00027  -0.00038   0.00050   0.00011   2.10508
   A40        2.12403   0.00011   0.00094  -0.00074   0.00018   2.12421
   A41        2.08767   0.00064   0.00004   0.00097   0.00099   2.08866
   A42        2.07068  -0.00078  -0.00109  -0.00057  -0.00167   2.06901
   A43        2.06046   0.00254   0.00061  -0.00047  -0.00014   2.06032
   A44        2.04676  -0.00755   0.00020  -0.01430  -0.01391   2.03285
   A45        2.10149   0.00379  -0.00520   0.01274   0.00772   2.10921
   A46        2.06727  -0.00143   0.00159  -0.00308  -0.00140   2.06588
   A47        2.16255   0.00096  -0.00158   0.00085  -0.00073   2.16182
   A48        2.05042   0.00054   0.00051   0.00145   0.00198   2.05240
   A49        2.13752  -0.00095  -0.00202   0.00307   0.00121   2.13873
   A50        2.09807   0.00057   0.00126  -0.00105   0.00017   2.09824
   A51        2.04726   0.00036   0.00061  -0.00201  -0.00148   2.04578
   A52        2.06296   0.00052   0.00053  -0.00294  -0.00258   2.06038
   A53        2.11853  -0.00093  -0.00151  -0.00100  -0.00251   2.11602
   A54        2.11078   0.00024   0.00062  -0.00039   0.00022   2.11101
   A55        2.05259   0.00070   0.00098   0.00135   0.00234   2.05492
   A56        2.11459   0.00042   0.00158  -0.00162  -0.00001   2.11458
   A57        2.08763  -0.00040  -0.00183   0.00259   0.00077   2.08841
   A58        2.08087  -0.00002   0.00013  -0.00088  -0.00074   2.08014
   A59        2.06707   0.00037  -0.00016   0.00327   0.00314   2.07021
   A60        2.09413   0.00048   0.00028   0.00051   0.00078   2.09491
   A61        2.12164  -0.00086  -0.00016  -0.00373  -0.00390   2.11774
   A62        2.11610  -0.00098  -0.00136  -0.00157  -0.00288   2.11322
   A63        2.04416   0.00057  -0.00013   0.00193   0.00180   2.04596
   A64        2.12269   0.00041   0.00155  -0.00046   0.00109   2.12378
   A65        2.19291  -0.00011   0.00035  -0.00113  -0.00077   2.19214
   A66        2.20103  -0.00083  -0.00090  -0.00136  -0.00226   2.19877
   A67        1.88902   0.00094   0.00050   0.00259   0.00308   1.89210
   A68        2.18072   0.00109  -0.00107   0.00555   0.00448   2.18521
   A69        2.21529  -0.00178   0.00071  -0.00712  -0.00640   2.20890
   A70        1.88709   0.00069   0.00031   0.00163   0.00194   1.88903
   A71        2.20024  -0.00053  -0.00118   0.00015  -0.00103   2.19921
   A72        2.19344  -0.00018   0.00106  -0.00206  -0.00100   2.19244
   A73        1.88913   0.00072   0.00005   0.00209   0.00213   1.89126
   A74        1.90112  -0.00071  -0.00050  -0.00127  -0.00177   1.89935
   A75        2.25977   0.00039  -0.00039   0.00074   0.00036   2.26013
   A76        2.12067   0.00032   0.00069   0.00090   0.00159   2.12225
   A77        1.86750   0.00028   0.00056   0.00041   0.00096   1.86846
   A78        2.09004  -0.00043  -0.00050  -0.00119  -0.00169   2.08835
   A79        2.32539   0.00016  -0.00015   0.00092   0.00078   2.32617
   A80        1.86965  -0.00019   0.00013  -0.00073  -0.00059   1.86906
   A81        2.32333   0.00055  -0.00046   0.00285   0.00241   2.32574
   A82        2.09009  -0.00036   0.00024  -0.00203  -0.00178   2.08831
   A83        1.89941  -0.00006  -0.00051  -0.00005  -0.00055   1.89885
   A84        2.26541  -0.00048   0.00053  -0.00269  -0.00214   2.26327
   A85        2.11703   0.00054  -0.00028   0.00310   0.00283   2.11985
   A86        1.90288  -0.00081  -0.00080  -0.00168  -0.00248   1.90040
   A87        2.25718   0.00022   0.00050  -0.00051  -0.00001   2.25717
   A88        2.12223   0.00060   0.00010   0.00260   0.00271   2.12494
   A89        1.86501   0.00030   0.00062   0.00011   0.00074   1.86575
   A90        2.08766  -0.00057  -0.00016  -0.00228  -0.00243   2.08523
   A91        2.33033   0.00027  -0.00041   0.00209   0.00169   2.33202
   A92        1.86581  -0.00000   0.00057  -0.00066  -0.00009   1.86571
   A93        2.33024   0.00042  -0.00081   0.00284   0.00204   2.33228
   A94        2.08701  -0.00042   0.00017  -0.00209  -0.00192   2.08509
   A95        1.90204  -0.00043  -0.00090  -0.00034  -0.00123   1.90081
   A96        2.26019  -0.00001   0.00091  -0.00197  -0.00103   2.25916
   A97        2.12005   0.00045  -0.00041   0.00291   0.00253   2.12258
   A98        1.90011  -0.00030  -0.00040  -0.00080  -0.00117   1.89893
   A99        2.26154  -0.00026  -0.00043  -0.00093  -0.00132   2.26022
   A100       2.12070   0.00056   0.00035   0.00228   0.00267   2.12338
   A101       1.86786  -0.00011   0.00026  -0.00021   0.00004   1.86790
   A102       2.08773  -0.00026   0.00010  -0.00207  -0.00196   2.08577
   A103       2.32746   0.00037  -0.00040   0.00235   0.00196   2.32941
   A104       1.86563   0.00016   0.00070  -0.00065   0.00006   1.86569
   A105       2.32919   0.00027  -0.00061   0.00201   0.00141   2.33060
   A106       2.08812  -0.00043  -0.00001  -0.00146  -0.00146   2.08666
   A107       1.90201  -0.00047  -0.00060  -0.00046  -0.00106   1.90095
   A108       2.26175  -0.00012   0.00039  -0.00178  -0.00139   2.26036
   A109       2.11872   0.00059   0.00007   0.00250   0.00259   2.12131
   A110       2.07969  -0.00004  -0.00014   0.00020   0.00005   2.07975
   A111       2.10055  -0.00012  -0.00008  -0.00052  -0.00060   2.09996
   A112       2.10293   0.00016   0.00022   0.00031   0.00054   2.10347
   A113       2.10203   0.00020   0.00005   0.00048   0.00053   2.10256
   A114       2.09239  -0.00002  -0.00009   0.00007  -0.00002   2.09237
   A115       2.08876  -0.00017   0.00003  -0.00054  -0.00051   2.08825
   A116       2.12059  -0.00027  -0.00014   0.00026   0.00012   2.12071
   A117       2.08521   0.00024   0.00061  -0.00041   0.00019   2.08541
   A118       2.07738   0.00003  -0.00047   0.00016  -0.00031   2.07707
   A119       2.05636  -0.00007   0.00026  -0.00190  -0.00164   2.05472
   A120       2.12274  -0.00010   0.00043  -0.00140  -0.00096   2.12178
   A121       2.10403   0.00017  -0.00068   0.00327   0.00260   2.10663
   A122       2.05264  -0.00001  -0.00019  -0.00042  -0.00061   2.05203
   A123       2.12326   0.00015   0.00015   0.00055   0.00070   2.12395
   A124       2.10714  -0.00015  -0.00000  -0.00008  -0.00008   2.10706
   A125       2.12144  -0.00011  -0.00021  -0.00001  -0.00022   2.12122
   A126       2.07544   0.00008  -0.00000   0.00068   0.00067   2.07611
   A127       2.08622   0.00003   0.00023  -0.00064  -0.00042   2.08580
   A128       2.10318   0.00019   0.00024   0.00034   0.00058   2.10376
   A129       2.08794  -0.00012  -0.00019   0.00007  -0.00012   2.08783
   A130       2.09204  -0.00007  -0.00008  -0.00039  -0.00047   2.09157
   A131       2.07783   0.00004  -0.00009   0.00047   0.00038   2.07822
   A132       2.10160  -0.00015  -0.00019  -0.00073  -0.00091   2.10069
   A133       2.10369   0.00011   0.00028   0.00025   0.00053   2.10422
   A134       2.07996   0.00016   0.00017   0.00010   0.00026   2.08022
   A135       2.10066  -0.00017  -0.00056  -0.00000  -0.00056   2.10010
   A136       2.10250   0.00001   0.00039  -0.00006   0.00033   2.10283
   A137       2.10363   0.00007  -0.00025   0.00116   0.00092   2.10455
   A138       2.09122   0.00008   0.00032  -0.00014   0.00018   2.09139
   A139       2.08833  -0.00014  -0.00008  -0.00101  -0.00109   2.08724
   A140       2.11950  -0.00010   0.00012  -0.00067  -0.00055   2.11895
   A141       2.08471   0.00006   0.00020   0.00002   0.00022   2.08492
   A142       2.07896   0.00004  -0.00033   0.00068   0.00034   2.07930
   A143       2.05596  -0.00016   0.00007  -0.00121  -0.00114   2.05482
   A144       2.11632   0.00003   0.00067  -0.00107  -0.00040   2.11592
   A145       2.11081   0.00013  -0.00076   0.00234   0.00158   2.11239
   A146       2.05271  -0.00010  -0.00000  -0.00097  -0.00096   2.05175
   A147       2.12064  -0.00001   0.00047  -0.00141  -0.00094   2.11970
   A148       2.10981   0.00011  -0.00050   0.00240   0.00190   2.11171
   A149       2.12140  -0.00029  -0.00026  -0.00060  -0.00086   2.12054
   A150       2.07790  -0.00003  -0.00046  -0.00011  -0.00057   2.07733
   A151       2.08387   0.00033   0.00071   0.00072   0.00143   2.08530
   A152       2.10364   0.00031   0.00022   0.00110   0.00132   2.10496
   A153       2.08766  -0.00022   0.00007  -0.00109  -0.00101   2.08665
   A154       2.09184  -0.00009  -0.00029  -0.00002  -0.00031   2.09154
   A155       2.07851   0.00006  -0.00008   0.00036   0.00029   2.07880
   A156       2.10093  -0.00011  -0.00006  -0.00025  -0.00030   2.10063
   A157       2.10375   0.00005   0.00012  -0.00012   0.00001   2.10376
   A158       2.08024  -0.00005  -0.00014  -0.00032  -0.00046   2.07978
   A159       2.10111  -0.00015  -0.00034  -0.00035  -0.00068   2.10043
   A160       2.10183   0.00020   0.00045   0.00068   0.00114   2.10298
   A161       2.10354   0.00008  -0.00014   0.00097   0.00083   2.10437
   A162       2.09224  -0.00006  -0.00009  -0.00072  -0.00081   2.09143
   A163       2.08733  -0.00002   0.00025  -0.00027  -0.00001   2.08732
   A164       2.11893   0.00001   0.00021  -0.00026  -0.00004   2.11889
   A165       2.08543   0.00005   0.00042  -0.00058  -0.00016   2.08527
   A166       2.07880  -0.00006  -0.00063   0.00083   0.00020   2.07900
   A167       2.05659  -0.00020  -0.00016  -0.00125  -0.00140   2.05519
   A168       2.11946   0.00003   0.00067  -0.00122  -0.00056   2.11891
   A169       2.10705   0.00018  -0.00052   0.00250   0.00198   2.10903
   A170       2.05457  -0.00031  -0.00057  -0.00096  -0.00152   2.05304
   A171       2.12226  -0.00001   0.00069  -0.00154  -0.00086   2.12140
   A172       2.10624   0.00032  -0.00012   0.00256   0.00244   2.10868
   A173       2.12078  -0.00011   0.00010  -0.00002   0.00009   2.12087
   A174       2.07758  -0.00011  -0.00043  -0.00023  -0.00067   2.07690
   A175       2.08482   0.00022   0.00032   0.00027   0.00058   2.08541
   A176       2.10264   0.00035   0.00036   0.00023   0.00060   2.10323
   A177       2.08764  -0.00014  -0.00021   0.00005  -0.00015   2.08749
   A178       2.09291  -0.00021  -0.00016  -0.00028  -0.00045   2.09246
   A179       2.07981  -0.00023  -0.00053   0.00070   0.00017   2.07999
   A180       2.10093  -0.00005   0.00004  -0.00096  -0.00093   2.10000
   A181       2.10236   0.00029   0.00050   0.00030   0.00080   2.10316
   A182       1.98494  -0.00522  -0.00870  -0.00032  -0.00884   1.97609
   A183       1.79305  -0.00823  -0.01064  -0.00264  -0.01310   1.77994
   A184       1.79719   0.00981   0.01020  -0.00015   0.00999   1.80717
   A185       2.09407   0.00112  -0.00486  -0.00073  -0.00531   2.08876
   A186       1.91812   0.00133   0.00850   0.00727   0.01571   1.93383
   A187       1.84859   0.00275   0.00690  -0.00405   0.00279   1.85138
   A188       2.15928  -0.02708  -0.02805  -0.00710  -0.03514   2.12414
   A189       2.30511   0.00164  -0.00438   0.00348  -0.00089   2.30421
   A190       1.87503   0.00307   0.00182  -0.00216  -0.00040   1.87463
   A191       1.95009  -0.01555  -0.02452  -0.01516  -0.03965   1.91044
   A192       1.81690   0.00540   0.00949   0.00592   0.01555   1.83244
   A193       1.90699   0.00809   0.01534   0.00773   0.02301   1.93000
   A194       1.97475  -0.00338   0.00055  -0.00233  -0.00179   1.97296
   A195       1.93835   0.00149  -0.00429   0.00487   0.00065   1.93900
   A196       1.90091  -0.00053   0.00020  -0.00327  -0.00307   1.89784
   A197       1.94429   0.00130   0.00040   0.00390   0.00430   1.94859
   A198       1.91643  -0.00001  -0.00185   0.00191   0.00005   1.91648
   A199       1.88989  -0.00027  -0.00081   0.00075  -0.00005   1.88984
   A200       1.89303   0.00004   0.00118  -0.00250  -0.00132   1.89171
   A201       1.91831  -0.00057   0.00092  -0.00101  -0.00010   1.91822
   A202       1.87485   0.00034   0.00096  -0.00017   0.00079   1.87564
   A203       1.90147  -0.00018   0.00112  -0.00412  -0.00300   1.89847
   A204       1.90407  -0.00016  -0.00114   0.00140   0.00026   1.90433
   A205       1.93797   0.00010  -0.00090   0.00388   0.00298   1.94095
   A206       1.93937  -0.00012   0.00060  -0.00120  -0.00060   1.93877
   A207       1.90532   0.00001  -0.00062   0.00010  -0.00051   1.90481
   A208       1.91636  -0.00021   0.00064  -0.00297  -0.00233   1.91403
   A209       1.92510   0.00006  -0.00140   0.00304   0.00164   1.92673
   A210       1.94084  -0.00010   0.00160  -0.00321  -0.00162   1.93923
   A211       1.89216   0.00018  -0.00047   0.00232   0.00185   1.89401
   A212       1.89476  -0.00001  -0.00108   0.00105  -0.00004   1.89472
   A213       1.89363   0.00009   0.00066  -0.00008   0.00058   1.89421
   A214       2.21019  -0.01097  -0.01771   0.01690  -0.00082   2.20937
    D1        0.00524  -0.00008  -0.00412   0.00571   0.00157   0.00681
    D2        3.12703  -0.00017  -0.00691   0.00810   0.00117   3.12821
    D3        3.13910  -0.00002  -0.00463   0.00684   0.00221   3.14131
    D4       -0.02228  -0.00010  -0.00742   0.00924   0.00181  -0.02048
    D5       -0.01299  -0.00014   0.00571  -0.01218  -0.00646  -0.01946
    D6        3.11867   0.00011   0.00279  -0.00247   0.00034   3.11901
    D7        3.13629  -0.00019   0.00623  -0.01329  -0.00707   3.12922
    D8       -0.01523   0.00005   0.00331  -0.00358  -0.00027  -0.01550
    D9        2.18537   0.00010   0.02936  -0.03736  -0.00800   2.17737
   D10       -0.98169   0.00018   0.02695  -0.03178  -0.00484  -0.98653
   D11       -0.96395   0.00016   0.02885  -0.03621  -0.00736  -0.97131
   D12        2.15217   0.00024   0.02643  -0.03064  -0.00420   2.14797
   D13        0.01942   0.00011  -0.00400   0.00780   0.00381   0.02323
   D14       -3.04472  -0.00016  -0.00438   0.00582   0.00138  -3.04334
   D15       -3.10177   0.00020  -0.00113   0.00533   0.00422  -3.09755
   D16        0.11728  -0.00007  -0.00151   0.00335   0.00179   0.11907
   D17       -0.03653   0.00009   0.01056  -0.01501  -0.00441  -0.04094
   D18        3.09460  -0.00031   0.00645  -0.01457  -0.00818   3.08642
   D19        3.03059   0.00033   0.01090  -0.01306  -0.00207   3.02851
   D20       -0.12147  -0.00006   0.00679  -0.01263  -0.00584  -0.12731
   D21       -3.08331   0.00079  -0.01624   0.03946   0.02317  -3.06014
   D22        0.11034   0.00069  -0.01950   0.04587   0.02636   0.13670
   D23        0.13603   0.00050  -0.01665   0.03742   0.02067   0.15670
   D24       -2.95350   0.00040  -0.01991   0.04384   0.02385  -2.92965
   D25        0.02954  -0.00032  -0.00915   0.00874  -0.00047   0.02906
   D26       -3.13083  -0.00004  -0.00564   0.00808   0.00238  -3.12845
   D27       -3.10170   0.00007  -0.00509   0.00832   0.00328  -3.09842
   D28        0.02112   0.00035  -0.00158   0.00766   0.00613   0.02725
   D29       -0.15300  -0.00065   0.01118  -0.02777  -0.01643  -0.16943
   D30        2.90377   0.00138   0.03012  -0.03093  -0.00051   2.90326
   D31        2.97820  -0.00104   0.00708  -0.02733  -0.02017   2.95803
   D32       -0.24822   0.00098   0.02602  -0.03049  -0.00425  -0.25247
   D33       -0.00438   0.00034   0.00090   0.00499   0.00591   0.00152
   D34       -3.13594   0.00009   0.00384  -0.00480  -0.00096  -3.13690
   D35       -3.12672   0.00004  -0.00270   0.00569   0.00300  -3.12372
   D36        0.02491  -0.00020   0.00023  -0.00410  -0.00387   0.02104
   D37        0.12878  -0.00038   0.00795  -0.02060  -0.01265   0.11613
   D38       -2.94560  -0.00028   0.00643  -0.01154  -0.00501  -2.95062
   D39       -3.06316  -0.00037   0.01104  -0.02691  -0.01592  -3.07908
   D40        0.14564  -0.00027   0.00953  -0.01785  -0.00829   0.13736
   D41        3.01573   0.00025  -0.00112   0.00308   0.00195   3.01768
   D42       -0.14114   0.00046  -0.00390   0.01426   0.01033  -0.13080
   D43       -0.07470   0.00016  -0.00432   0.00940   0.00510  -0.06960
   D44        3.05161   0.00038  -0.00711   0.02058   0.01348   3.06509
   D45       -0.40057  -0.00010   0.00997  -0.01940  -0.00943  -0.41000
   D46        2.97286  -0.00133  -0.03184   0.02904  -0.00228   2.97058
   D47        2.67191  -0.00032   0.01131  -0.02866  -0.01749   2.65442
   D48       -0.23785  -0.00155  -0.03050   0.01978  -0.01033  -0.24819
   D49       -0.10490   0.00022  -0.00708   0.01294   0.00580  -0.09910
   D50        2.99307  -0.00037  -0.00987   0.00361  -0.00633   2.98674
   D51        3.10515   0.00042  -0.00850   0.02229   0.01387   3.11902
   D52       -0.08006  -0.00017  -0.01129   0.01295   0.00173  -0.07833
   D53        0.41184   0.00067  -0.01930   0.04366   0.02431   0.43615
   D54       -2.64159  -0.00143  -0.03891   0.04666   0.00772  -2.63386
   D55       -2.95180   0.00217   0.02123  -0.00412   0.01732  -2.93448
   D56        0.27796   0.00007   0.00162  -0.00113   0.00073   0.27869
   D57        2.74094   0.00157   0.02787  -0.02406   0.00352   2.74447
   D58       -0.80342  -0.00068   0.01582  -0.02626  -0.01048  -0.81390
   D59       -0.16669   0.00029  -0.01460   0.02598   0.01123  -0.15545
   D60        2.57213  -0.00196  -0.02665   0.02378  -0.00277   2.56936
   D61        3.07439  -0.00238  -0.01273  -0.01094  -0.02391   3.05048
   D62       -0.15531  -0.00026   0.00695  -0.01438  -0.00749  -0.16280
   D63       -0.04180  -0.00010  -0.00391   0.00472   0.00081  -0.04099
   D64        3.12324   0.00019  -0.00241   0.00989   0.00746   3.13070
   D65        3.11478  -0.00031  -0.00116  -0.00626  -0.00742   3.10736
   D66       -0.00336  -0.00002   0.00034  -0.00109  -0.00077  -0.00413
   D67        0.08617  -0.00001   0.00656  -0.01024  -0.00368   0.08248
   D68       -3.03324   0.00016   0.00601  -0.00618  -0.00015  -3.03339
   D69       -3.07851  -0.00034   0.00508  -0.01551  -0.01046  -3.08897
   D70        0.08527  -0.00017   0.00454  -0.01144  -0.00692   0.07835
   D71       -2.32667  -0.00008  -0.01300   0.01518   0.00219  -2.32448
   D72        0.79964  -0.00005  -0.01651   0.02116   0.00465   0.80429
   D73        0.83842   0.00023  -0.01147   0.02039   0.00891   0.84733
   D74       -2.31846   0.00027  -0.01498   0.02636   0.01137  -2.30709
   D75       -0.01218   0.00001  -0.00091   0.00136   0.00045  -0.01173
   D76       -3.11057   0.00056   0.00182   0.01056   0.01239  -3.09818
   D77        3.10704  -0.00016  -0.00036  -0.00275  -0.00311   3.10393
   D78        0.00865   0.00039   0.00238   0.00646   0.00883   0.01748
   D79       -0.03632  -0.00073   0.01877  -0.03406  -0.01537  -0.05169
   D80       -3.09332  -0.00180   0.00953  -0.02295  -0.01347  -3.10679
   D81       -2.76207   0.00430   0.02976  -0.02522   0.00453  -2.75754
   D82        0.46412   0.00324   0.02052  -0.01411   0.00642   0.47054
   D83       -0.01231  -0.00185  -0.02451   0.08590   0.06131   0.04900
   D84       -2.30255   0.00672  -0.00541   0.08913   0.08388  -2.21867
   D85        2.06233   0.00328  -0.01241   0.09439   0.08202   2.14435
   D86        2.71659  -0.00454  -0.03530   0.08025   0.04480   2.76139
   D87        0.42636   0.00403  -0.01620   0.08348   0.06736   0.49372
   D88       -1.49195   0.00058  -0.02320   0.08874   0.06550  -1.42645
   D89        0.16423   0.00060  -0.01048   0.01925   0.00884   0.17307
   D90       -3.00577  -0.00040  -0.01527   0.02012   0.00490  -3.00087
   D91       -3.05649   0.00162  -0.00191   0.00884   0.00695  -3.04954
   D92        0.05669   0.00062  -0.00670   0.00972   0.00301   0.05970
   D93        3.03850   0.00008   0.00994  -0.01601  -0.00605   3.03244
   D94       -0.15894   0.00032   0.01207  -0.01689  -0.00481  -0.16375
   D95       -0.01926  -0.00089   0.00075  -0.00480  -0.00402  -0.02328
   D96        3.06649  -0.00065   0.00288  -0.00567  -0.00278   3.06371
   D97       -0.06546  -0.00023  -0.00273   0.00553   0.00277  -0.06268
   D98        3.10376   0.00074   0.00191   0.00467   0.00658   3.11034
   D99       -0.05483   0.00012   0.00760  -0.00637   0.00125  -0.05358
   D100       3.10965   0.00007   0.00217  -0.00159   0.00058   3.11023
   D101       3.05979  -0.00085   0.00299  -0.00545  -0.00244   3.05735
   D102      -0.05891  -0.00090  -0.00244  -0.00068  -0.00311  -0.06202
   D103      -0.02184   0.00049   0.00463  -0.00362   0.00101  -0.02083
   D104       3.10535   0.00039  -0.00110   0.00429   0.00318   3.10852
   D105      -3.10938   0.00027   0.00257  -0.00273  -0.00014  -3.10952
   D106       0.01780   0.00017  -0.00316   0.00519   0.00203   0.01983
   D107       0.02516   0.00025  -0.00389   0.00714   0.00324   0.02840
   D108       3.13886   0.00004  -0.00519   0.00931   0.00412  -3.14020
   D109      -3.10208   0.00035   0.00185  -0.00077   0.00107  -3.10101
   D110       0.01162   0.00015   0.00055   0.00140   0.00195   0.01357
   D111       0.01322  -0.00055  -0.00222  -0.00207  -0.00429   0.00893
   D112       3.13088  -0.00049   0.00345  -0.00704  -0.00358   3.12731
   D113      -3.10001  -0.00036  -0.00090  -0.00436  -0.00526  -3.10528
   D114       0.01765  -0.00030   0.00477  -0.00932  -0.00455   0.01310
   D115      -2.23631   0.00012  -0.02531   0.03441   0.00909  -2.22722
   D116       0.93816  -0.00008  -0.02254   0.02664   0.00410   0.94226
   D117       0.87649  -0.00007  -0.02665   0.03677   0.01012   0.88661
   D118      -2.23223  -0.00027  -0.02388   0.02900   0.00512  -2.22710
   D119       3.12540  -0.00007  -0.00146   0.00134  -0.00011   3.12529
   D120      -0.06172   0.00011  -0.00577   0.01163   0.00586  -0.05586
   D121       0.00547  -0.00012   0.00062  -0.00336  -0.00274   0.00273
   D122       3.10154   0.00006  -0.00369   0.00693   0.00322   3.10476
   D123      -3.12276   0.00002   0.00127  -0.00178  -0.00051  -3.12327
   D124      -0.02700   0.00015  -0.00665   0.01347   0.00682  -0.02018
   D125      -0.00295   0.00008  -0.00080   0.00295   0.00216  -0.00079
   D126       3.09281   0.00021  -0.00872   0.01820   0.00949   3.10230
   D127       3.13188   0.00012  -0.00163   0.00491   0.00328   3.13516
   D128       0.05196   0.00003   0.00176  -0.00209  -0.00033   0.05164
   D129       0.00314   0.00011   0.00131  -0.00004   0.00127   0.00441
   D130      -3.07677   0.00002   0.00470  -0.00704  -0.00234  -3.07911
   D131      -3.13330  -0.00017   0.00180  -0.00571  -0.00391  -3.13721
   D132       0.06441  -0.00019   0.00654  -0.01338  -0.00683   0.05758
   D133      -0.00489  -0.00014  -0.00124  -0.00052  -0.00176  -0.00665
   D134      -3.09036  -0.00015   0.00350  -0.00818  -0.00468  -3.09504
   D135      -3.12170  -0.00017   0.00338  -0.00854  -0.00517  -3.12687
   D136       0.06417  -0.00021   0.01281  -0.02324  -0.01041   0.05376
   D137      -0.00823  -0.00001   0.00104  -0.00197  -0.00093  -0.00916
   D138      -3.10554  -0.00005   0.01047  -0.01666  -0.00618  -3.11172
   D139       3.12102   0.00014  -0.00360   0.00828   0.00469   3.12571
   D140       0.02017   0.00004  -0.00002   0.00063   0.00063   0.02079
   D141       0.00741  -0.00001  -0.00121   0.00169   0.00047   0.00788
   D142      -3.09345  -0.00012   0.00237  -0.00596  -0.00358  -3.09703
   D143      -0.00022  -0.00004  -0.00087   0.00057  -0.00030  -0.00053
   D144      -3.12062  -0.00007   0.00229  -0.00492  -0.00262  -3.12324
   D145       3.08553   0.00004  -0.00398   0.00690   0.00292   3.08846
   D146      -0.03486   0.00001  -0.00082   0.00142   0.00060  -0.03426
   D147       3.10939   0.00001  -0.00266   0.00475   0.00209   3.11148
   D148      -0.01336   0.00004  -0.00053   0.00181   0.00128  -0.01208
   D149       0.03624  -0.00006   0.00114  -0.00295  -0.00181   0.03443
   D150      -3.08651  -0.00003   0.00327  -0.00589  -0.00262  -3.08913
   D151      -0.00274  -0.00004   0.00011  -0.00087  -0.00076  -0.00350
   D152       3.12210  -0.00003  -0.00445   0.00600   0.00155   3.12365
   D153       3.11359  -0.00001  -0.00367   0.00563   0.00197   3.11556
   D154      -0.04475   0.00000  -0.00822   0.01250   0.00428  -0.04047
   D155       0.01139  -0.00004  -0.00111   0.00123   0.00013   0.01151
   D156       3.14115   0.00000  -0.00039   0.00110   0.00070  -3.14134
   D157      -3.10238  -0.00008   0.00303  -0.00594  -0.00291  -3.10529
   D158       0.02738  -0.00004   0.00375  -0.00608  -0.00233   0.02504
   D159       0.00471   0.00011   0.00069   0.00085   0.00155   0.00626
   D160       3.09584   0.00009  -0.00353   0.00753   0.00400   3.09985
   D161      -3.12280   0.00009   0.00454  -0.00498  -0.00044  -3.12324
   D162      -0.03166   0.00006   0.00032   0.00170   0.00202  -0.02965
   D163      -3.11798   0.00004   0.00446  -0.00616  -0.00169  -3.11967
   D164       0.01898  -0.00002   0.00538  -0.00831  -0.00293   0.01605
   D165       0.00517   0.00006  -0.00055   0.00142   0.00087   0.00605
   D166      -3.14105   0.00000   0.00036  -0.00073  -0.00037  -3.14142
   D167       3.11592  -0.00017  -0.00515   0.00440  -0.00075   3.11518
   D168      -0.01465  -0.00014  -0.00749   0.00699  -0.00049  -0.01514
   D169       0.03651  -0.00017   0.00010  -0.00397  -0.00387   0.03264
   D170      -3.09406  -0.00014  -0.00223  -0.00138  -0.00362  -3.09768
   D171      -0.00578   0.00011  -0.00021   0.00246   0.00224  -0.00354
   D172       3.11784   0.00019   0.00337  -0.00130   0.00206   3.11991
   D173      -3.10603  -0.00005   0.00369  -0.00680  -0.00311  -3.10915
   D174       0.01759   0.00003   0.00727  -0.01056  -0.00330   0.01430
   D175      -3.11354  -0.00010  -0.00082  -0.00156  -0.00239  -3.11592
   D176       0.01976  -0.00018  -0.00369   0.00177  -0.00193   0.01783
   D177      -0.02248   0.00007  -0.00564   0.00976   0.00413  -0.01835
   D178       3.11082  -0.00000  -0.00851   0.01308   0.00458   3.11540
   D179       0.00390  -0.00006  -0.00027  -0.00063  -0.00090   0.00300
   D180      -3.11980  -0.00005   0.00370  -0.00673  -0.00302  -3.12282
   D181      -3.11615  -0.00014  -0.00456   0.00395  -0.00062  -3.11677
   D182       0.04333  -0.00013  -0.00060  -0.00215  -0.00274   0.04059
   D183       0.00055  -0.00012  -0.00409   0.00417   0.00007   0.00062
   D184       3.14030   0.00005   0.00029   0.00084   0.00112   3.14142
   D185       3.11843  -0.00003   0.00064  -0.00085  -0.00020   3.11823
   D186      -0.02501   0.00015   0.00502  -0.00417   0.00085  -0.02416
   D187      -0.00063  -0.00001   0.00066  -0.00142  -0.00076  -0.00139
   D188      -3.10075  -0.00012   0.00776  -0.01507  -0.00731  -3.10807
   D189       3.12605  -0.00001  -0.00267   0.00372   0.00105   3.12709
   D190       0.02592  -0.00012   0.00443  -0.00993  -0.00550   0.02042
   D191       3.10698   0.00022  -0.00490   0.01223   0.00732   3.11430
   D192      -0.02246   0.00002  -0.00502   0.00843   0.00340  -0.01907
   D193      -0.01494   0.00023  -0.00054   0.00551   0.00497  -0.00997
   D194       3.13881   0.00003  -0.00066   0.00170   0.00104   3.13985
   D195      -3.10867  -0.00020   0.00367  -0.00964  -0.00598  -3.11465
   D196       0.01798  -0.00002   0.00221  -0.00418  -0.00198   0.01600
   D197      -0.01790  -0.00008  -0.00511   0.00718   0.00207  -0.01583
   D198       3.10875   0.00010  -0.00657   0.01264   0.00607   3.11482
   D199       0.00583   0.00002  -0.00046   0.00147   0.00101   0.00684
   D200      -3.12035  -0.00000   0.00154  -0.00248  -0.00095  -3.12130
   D201       3.10740   0.00004  -0.00902   0.01466   0.00565   3.11305
   D202      -0.01879   0.00001  -0.00703   0.01071   0.00370  -0.01509
   D203       3.10450   0.00021  -0.00281   0.00761   0.00479   3.10929
   D204      -0.02071  -0.00005  -0.00322   0.00357   0.00036  -0.02036
   D205       0.01205   0.00018   0.00769  -0.00862  -0.00094   0.01111
   D206      -3.11316  -0.00008   0.00728  -0.01266  -0.00538  -3.11854
   D207      -0.00128  -0.00003  -0.00028  -0.00044  -0.00071  -0.00199
   D208       3.11575   0.00012   0.00557  -0.00595  -0.00038   3.11538
   D209       3.12189  -0.00001  -0.00266   0.00423   0.00157   3.12347
   D210      -0.04426   0.00014   0.00319  -0.00129   0.00191  -0.04235
   D211       0.01304  -0.00025   0.00102  -0.00513  -0.00411   0.00893
   D212       3.14076   0.00002   0.00178  -0.00205  -0.00027   3.14049
   D213      -3.10829  -0.00027   0.00363  -0.01028  -0.00665  -3.11494
   D214       0.01943  -0.00000   0.00440  -0.00720  -0.00281   0.01662
   D215      -0.00375   0.00003   0.00092  -0.00075   0.00016  -0.00359
   D216       3.10107   0.00011  -0.00231   0.00604   0.00373   3.10480
   D217      -3.12483  -0.00011  -0.00396   0.00379  -0.00016  -3.12499
   D218      -0.02001  -0.00003  -0.00719   0.01059   0.00341  -0.01660
   D219      -3.11155  -0.00011  -0.00246   0.00071  -0.00176  -3.11331
   D220       0.02679  -0.00015  -0.00575   0.00442  -0.00134   0.02546
   D221       0.00300   0.00006   0.00397  -0.00535  -0.00137   0.00163
   D222       3.14134   0.00002   0.00069  -0.00163  -0.00095   3.14040
   D223       3.11769   0.00011   0.00200  -0.00042   0.00158   3.11928
   D224      -0.01017   0.00004   0.00301  -0.00326  -0.00025  -0.01042
   D225       0.02123   0.00001   0.00599  -0.00882  -0.00283   0.01840
   D226      -3.10664  -0.00005   0.00700  -0.01166  -0.00467  -3.11130
   D227       0.01498  -0.00008   0.00039  -0.00225  -0.00186   0.01313
   D228      -3.13151  -0.00012  -0.00091  -0.00051  -0.00142  -3.13293
   D229      -3.12197  -0.00002  -0.00052  -0.00009  -0.00061  -3.12258
   D230       0.01472  -0.00007  -0.00182   0.00165  -0.00017   0.01455
   D231      -0.00964  -0.00004   0.00003  -0.00011  -0.00008  -0.00972
   D232       3.13327  -0.00007  -0.00000  -0.00082  -0.00082   3.13244
   D233       3.13685   0.00001   0.00133  -0.00185  -0.00052   3.13633
   D234      -0.00343  -0.00003   0.00130  -0.00256  -0.00126  -0.00469
   D235      -0.01603   0.00017  -0.00028   0.00324   0.00296  -0.01307
   D236       3.11466   0.00014   0.00203   0.00065   0.00268   3.11735
   D237       3.12426   0.00021  -0.00025   0.00394   0.00369   3.12795
   D238      -0.02823   0.00017   0.00207   0.00135   0.00342  -0.02482
   D239      -0.01545   0.00015   0.00046   0.00192   0.00238  -0.01306
   D240       3.14042   0.00002  -0.00031  -0.00002  -0.00033   3.14010
   D241       3.10748   0.00013  -0.00165   0.00484   0.00319   3.11068
   D242      -0.01983  -0.00001  -0.00241   0.00290   0.00049  -0.01935
   D243      -0.00698  -0.00018  -0.00238   0.00069  -0.00169  -0.00868
   D244       3.14141  -0.00003   0.00060  -0.00155  -0.00095   3.14046
   D245       3.12025  -0.00005  -0.00161   0.00265   0.00104   3.12128
   D246      -0.01454   0.00011   0.00137   0.00041   0.00178  -0.01277
   D247       0.00896   0.00012   0.00266  -0.00228   0.00038   0.00935
   D248      -3.12078   0.00008   0.00195  -0.00213  -0.00018  -3.12097
   D249      -3.13945  -0.00003  -0.00032  -0.00003  -0.00036  -3.13981
   D250       0.01399  -0.00007  -0.00104   0.00011  -0.00092   0.01307
   D251      -0.00298  -0.00014  -0.00246   0.00129  -0.00118  -0.00416
   D252      -3.14008  -0.00012  -0.00046  -0.00204  -0.00251   3.14059
   D253       3.12645   0.00006  -0.00235   0.00510   0.00275   3.12919
   D254      -0.01066   0.00008  -0.00035   0.00177   0.00142  -0.00924
   D255       0.01099  -0.00006   0.00172  -0.00401  -0.00229   0.00870
   D256      -3.12326  -0.00008   0.00300  -0.00738  -0.00438  -3.12763
   D257      -3.13508  -0.00008  -0.00028  -0.00068  -0.00096  -3.13604
   D258       0.01386  -0.00010   0.00100  -0.00405  -0.00305   0.01081
   D259      -0.00047   0.00016   0.00207  -0.00027   0.00180   0.00132
   D260      -3.12717  -0.00001   0.00350  -0.00568  -0.00218  -3.12935
   D261       3.13380   0.00018   0.00079   0.00309   0.00388   3.13768
   D262       0.00710   0.00001   0.00223  -0.00232  -0.00010   0.00700
   D263       0.00992  -0.00009   0.00104  -0.00292  -0.00189   0.00804
   D264      -3.13839  -0.00008   0.00001  -0.00124  -0.00123  -3.13962
   D265      -3.12343  -0.00001   0.00388  -0.00620  -0.00232  -3.12575
   D266       0.01144  -0.00000   0.00285  -0.00452  -0.00167   0.00977
   D267       0.00769  -0.00001   0.00196  -0.00323  -0.00127   0.00643
   D268       3.13857   0.00004   0.00312  -0.00360  -0.00048   3.13809
   D269      -3.12716  -0.00002   0.00300  -0.00491  -0.00191  -3.12907
   D270       0.00372   0.00003   0.00416  -0.00529  -0.00113   0.00259
   D271      -0.01287   0.00012  -0.00038   0.00254   0.00216  -0.01071
   D272       3.13057  -0.00006  -0.00477   0.00587   0.00110   3.13168
   D273       3.13946   0.00006  -0.00154   0.00292   0.00138   3.14084
   D274      -0.00028  -0.00011  -0.00593   0.00626   0.00033   0.00004
   D275       0.01188  -0.00008   0.00011  -0.00124  -0.00113   0.01075
   D276       3.14077   0.00004   0.00208  -0.00270  -0.00062   3.14015
   D277      -3.12646  -0.00004   0.00341  -0.00496  -0.00155  -3.12801
   D278       0.00243   0.00008   0.00537  -0.00642  -0.00105   0.00139
   D279      -0.01050   0.00006  -0.00123   0.00292   0.00169  -0.00880
   D280       3.12309   0.00011  -0.00098   0.00290   0.00192   3.12500
   D281      -3.13942  -0.00006  -0.00319   0.00438   0.00119  -3.13823
   D282      -0.00584  -0.00001  -0.00294   0.00436   0.00142  -0.00442
   D283      -0.00609  -0.00002  -0.00180   0.00212   0.00031  -0.00577
   D284       3.12188   0.00004  -0.00279   0.00491   0.00211   3.12400
   D285      -3.13970  -0.00008  -0.00205   0.00215   0.00009  -3.13961
   D286      -0.01173  -0.00001  -0.00304   0.00494   0.00189  -0.00984
   D287      -0.00004  -0.00015  -0.00259   0.00126  -0.00134  -0.00138
   D288      -3.13894  -0.00015  -0.00127  -0.00133  -0.00260  -3.14154
   D289       3.12534   0.00010  -0.00219   0.00521   0.00303   3.12836
   D290      -0.01357   0.00010  -0.00086   0.00263   0.00177  -0.01180
   D291      -0.00532  -0.00008  -0.00322   0.00412   0.00090  -0.00443
   D292       3.13666   0.00005  -0.00029   0.00137   0.00108   3.13774
   D293       3.13357  -0.00008  -0.00456   0.00672   0.00216   3.13573
   D294      -0.00764   0.00005  -0.00163   0.00397   0.00235  -0.00529
   D295      -0.00136   0.00027   0.00397  -0.00210   0.00187   0.00052
   D296      -3.12907   0.00001   0.00321  -0.00517  -0.00196  -3.13103
   D297       3.13985   0.00015   0.00103   0.00065   0.00168   3.14153
   D298       0.01214  -0.00012   0.00027  -0.00242  -0.00215   0.00999
   D299       2.00063  -0.01606   0.02583  -0.09965  -0.07391   1.92672
   D300      -0.22202  -0.00237   0.04945  -0.09631  -0.04680  -0.26881
   D301      -2.40315  -0.00752   0.03508  -0.10212  -0.06701  -2.47015
   D302       1.34786  -0.00048  -0.01620   0.05182   0.03561   1.38347
   D303      -2.81469  -0.00040  -0.01605   0.05494   0.03890  -2.77579
   D304      -0.52856   0.00394  -0.01085   0.05610   0.04526  -0.48330
   D305      -2.55124  -0.00174  -0.02938   0.05640   0.02695  -2.52429
   D306      -0.45986   0.00097  -0.02387   0.05556   0.03171  -0.42815
   D307       1.63334  -0.00206  -0.03595   0.05708   0.02118   1.65452
   D308       2.86651  -0.00043   0.03266  -0.05273  -0.02006   2.84645
   D309      -1.31591  -0.00021   0.03279  -0.05051  -0.01772  -1.33364
   D310       0.76260  -0.00040   0.03203  -0.05198  -0.01995   0.74265
   D311      -2.98511  -0.00662   0.00444  -0.03811  -0.03368  -3.01879
   D312      -0.90171  -0.00649   0.00382  -0.03689  -0.03308  -0.93479
   D313       1.22755  -0.00634   0.00397  -0.03424  -0.03028   1.19727
   D314       1.17946   0.00563   0.02426  -0.02299   0.00127   1.18073
   D315      -3.02033   0.00575   0.02363  -0.02176   0.00186  -3.01846
   D316      -0.89106   0.00590   0.02379  -0.01912   0.00466  -0.88640
   D317      -0.98976  -0.00002   0.01748  -0.03350  -0.01600  -1.00576
   D318       1.09364   0.00011   0.01685  -0.03227  -0.01541   1.07823
   D319      -3.06028   0.00026   0.01701  -0.02963  -0.01260  -3.07289
   D320      -0.83439   0.00197  -0.07345  -0.10616  -0.17977  -1.01417
   D321       1.23808   0.00141  -0.07713  -0.11320  -0.19033   1.04775
   D322      -2.85469   0.00397  -0.06818  -0.10717  -0.17518  -3.02987
   D323      -2.98975  -0.00048   0.03901  -0.08431  -0.04530  -3.03505
   D324      -0.90560  -0.00035   0.03796  -0.08142  -0.04346  -0.94905
   D325       1.19611  -0.00027   0.03891  -0.08160  -0.04270   1.15341
   D326       1.21596  -0.00053   0.03757  -0.08142  -0.04385   1.17211
   D327      -2.98308  -0.00041   0.03652  -0.07853  -0.04201  -3.02508
   D328      -0.88137  -0.00032   0.03747  -0.07871  -0.04125  -0.92262
   D329      -0.90831  -0.00053   0.03857  -0.08341  -0.04484  -0.95315
   D330       1.17584  -0.00041   0.03752  -0.08052  -0.04300   1.13284
   D331      -3.00564  -0.00032   0.03846  -0.08070  -0.04224  -3.04787
         Item               Value     Threshold  Converged?
 Maximum Force            0.027081     0.000450     NO 
 RMS     Force            0.002047     0.000300     NO 
 Maximum Displacement     0.866380     0.001800     NO 
 RMS     Displacement     0.127749     0.001200     NO 
 Predicted change in Energy=-3.176949D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.552110    3.217760    0.019978
      2          6           0       -2.745905    1.840028    0.055641
      3          6           0       -1.656021    0.954460   -0.002430
      4          6           0       -0.354474    1.492989   -0.069268
      5          6           0       -0.168991    2.882436   -0.126451
      6          6           0       -1.251648    3.741530   -0.083709
      7          6           0       -1.824212   -0.501565   -0.088840
      8          6           0       -0.684604   -1.358222   -0.044876
      9          6           0        0.616842   -0.797153    0.229231
     10          6           0        0.811716    0.611388   -0.061656
     11          6           0       -3.086015   -1.080231   -0.280989
     12          6           0       -3.237517   -2.447834   -0.509416
     13          6           0       -2.094827   -3.265977   -0.598763
     14          6           0       -0.851236   -2.724371   -0.362878
     15          7           0        1.723848   -1.577355    0.481149
     16          6           0        2.996411   -1.014445    0.256571
     17          6           0        3.068501    0.304184   -0.278051
     18          7           0        1.978729    1.106034   -0.393748
     19          6           0        4.207048   -1.713784    0.434685
     20          6           0        5.418344   -1.152286    0.077647
     21          6           0        5.484970    0.133892   -0.502189
     22          6           0        4.311699    0.842358   -0.677393
     23          7           0       -3.664900    4.093403    0.079392
     24          7           0       -4.515436   -3.008293   -0.686588
     25          7           0        6.736855    0.684697   -0.859891
     26          6           0       -4.984925   -4.174743   -0.053476
     27          6           0       -6.314385   -4.418520   -0.473048
     28          6           0       -6.669302   -3.360250   -1.396468
     29          6           0       -5.544411   -2.506281   -1.503081
     30          6           0       -3.843495    5.123667    1.012716
     31          6           0       -5.064160    5.787984    0.734686
     32          6           0       -5.645985    5.134136   -0.419001
     33          6           0       -4.757931    4.094746   -0.795095
     34          6           0        7.223933    1.944629   -0.477092
     35          6           0        8.503886    2.133740   -1.053754
     36          6           0        8.801478    0.944376   -1.824796
     37          6           0        7.691068    0.074684   -1.685596
     38          6           0       -7.821668   -3.082023   -2.137716
     39          6           0       -7.837557   -1.970491   -2.974696
     40          6           0       -6.706304   -1.147512   -3.086271
     41          6           0       -5.544120   -1.405073   -2.362022
     42          6           0       -4.356746   -4.984780    0.896033
     43          6           0       -5.072382   -6.073720    1.389604
     44          6           0       -6.383094   -6.344410    0.965194
     45          6           0       -7.011043   -5.517898    0.039024
     46          6           0       -6.812504    5.345228   -1.162091
     47          6           0       -7.070709    4.536052   -2.264350
     48          6           0       -6.171233    3.521860   -2.632804
     49          6           0       -5.005407    3.286887   -1.907549
     50          6           0       -3.041231    5.483925    2.097787
     51          6           0       -3.471715    6.542578    2.894009
     52          6           0       -4.672832    7.220983    2.626826
     53          6           0       -5.475124    6.844975    1.554569
     54          6           0        9.882308    0.560664   -2.625425
     55          6           0        9.843438   -0.670818   -3.272408
     56          6           0        8.729085   -1.514535   -3.135909
     57          6           0        7.638515   -1.155003   -2.346541
     58          6           0        6.649310    2.901770    0.362128
     59          6           0        7.374554    4.065464    0.606480
     60          6           0        8.640158    4.275721    0.034404
     61          6           0        9.208744    3.314493   -0.794928
     62          8           0        0.121617   -3.086957    2.172030
     63         15           0        1.499121   -2.962619    1.683932
     64          8           0        2.674329   -2.699346    2.711910
     65          8           0        1.924404   -4.257981    0.847166
     66          6           0        2.407845   -2.239396    4.108095
     67          6           0        3.525702   -1.300329    4.495664
     68          6           0        3.218108   -4.808186    0.504696
     69          6           0        3.000989   -6.246388    0.069994
     70          1           0       -3.759391    1.471980    0.148651
     71          1           0        0.842555    3.263304   -0.189576
     72          1           0       -1.110423    4.815367   -0.132150
     73          1           0       -3.975805   -0.466917   -0.248366
     74          1           0       -2.199163   -4.307805   -0.875246
     75          1           0        0.018736   -3.358087   -0.475940
     76          1           0        4.222462   -2.683608    0.899668
     77          1           0        6.336780   -1.700761    0.254358
     78          1           0        4.306507    1.837801   -1.104898
     79          1           0       -8.690505   -3.729469   -2.064111
     80          1           0       -8.728508   -1.738996   -3.549177
     81          1           0       -6.733319   -0.289089   -3.750671
     82          1           0       -4.670689   -0.774073   -2.474986
     83          1           0       -3.356686   -4.771682    1.253701
     84          1           0       -4.605172   -6.718911    2.127318
     85          1           0       -6.911603   -7.201995    1.369398
     86          1           0       -8.031583   -5.715892   -0.275190
     87          1           0       -7.503240    6.136251   -0.885490
     88          1           0       -7.973113    4.690117   -2.847710
     89          1           0       -6.384397    2.909601   -3.504006
     90          1           0       -4.309751    2.509768   -2.203986
     91          1           0       -2.120394    4.956804    2.320021
     92          1           0       -2.865329    6.843821    3.742810
     93          1           0       -4.979890    8.039833    3.270100
     94          1           0       -6.407961    7.364239    1.354530
     95          1           0       10.739095    1.217461   -2.741951
     96          1           0       10.675631   -0.978845   -3.897405
     97          1           0        8.710826   -2.464777   -3.661089
     98          1           0        6.776064   -1.806104   -2.260558
     99          1           0        5.678868    2.745903    0.819279
    100          1           0        6.948741    4.824542    1.255812
    101          1           0        9.176734    5.195840    0.243046
    102          1           0       10.191599    3.472866   -1.229398
    103          1           0        1.445594   -1.725940    4.144304
    104          1           0        2.389157   -3.152564    4.707782
    105          1           0        3.421677   -1.048389    5.556040
    106          1           0        4.508087   -1.758908    4.346584
    107          1           0        3.453357   -0.378975    3.914010
    108          1           0        3.651718   -4.211634   -0.303404
    109          1           0        3.872849   -4.756080    1.380289
    110          1           0        3.967892   -6.731506   -0.093790
    111          1           0        2.460936   -6.800425    0.842370
    112          1           0        2.426028   -6.294504   -0.858141
    113         17           0        0.718751    0.463200    2.697609
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0363041           0.0181355           0.0139186
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10677.5745094673 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.04D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999967    0.007780    0.002195    0.000087 Ang=   0.93 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47098064     A.U. after   14 cycles
            NFock= 14  Conv=0.51D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000367725    0.000409501   -0.000107193
      2        6           0.000387800   -0.000379298    0.000399290
      3        6          -0.000793051    0.000393177   -0.000540221
      4        6          -0.001617068    0.001030694   -0.001195898
      5        6           0.000353877   -0.000368899    0.000181498
      6        6          -0.000500168   -0.000192643   -0.000126134
      7        6           0.000428114    0.000031763    0.000137702
      8        6          -0.001085173    0.000140864    0.000939604
      9        6           0.001905424   -0.001094230    0.000552184
     10        6           0.002994808    0.002366906   -0.003994308
     11        6          -0.000124919    0.000241596   -0.000121818
     12        6           0.000627596   -0.000148112    0.000123639
     13        6          -0.000320378    0.000342761   -0.000344893
     14        6           0.000189652   -0.000442234   -0.000410466
     15        7          -0.004825438   -0.003357077    0.003213004
     16        6           0.003299484    0.001404061   -0.001944250
     17        6           0.003907322   -0.002439571    0.000115405
     18        7          -0.005437331    0.001276447   -0.000421654
     19        6          -0.002285987    0.000758408    0.002347598
     20        6           0.000984571    0.001665240   -0.001030815
     21        6           0.001058999   -0.002099580    0.000832502
     22        6          -0.001518987    0.000481194    0.001048013
     23        7          -0.000165241    0.000373683    0.000267802
     24        7          -0.000788597   -0.000492470    0.000207886
     25        7          -0.000051173    0.000637897   -0.000866526
     26        6           0.000294555    0.000408734    0.000114949
     27        6          -0.000175883    0.000006436   -0.000255923
     28        6           0.000005993   -0.000064901    0.000062081
     29        6           0.000634783   -0.000219657    0.000147303
     30        6          -0.000203666   -0.000442806   -0.000238910
     31        6          -0.000290448   -0.000544277    0.000304895
     32        6          -0.000041498    0.000194268    0.000010722
     33        6           0.000212865   -0.000045031   -0.000079940
     34        6          -0.000191773   -0.000715798   -0.000121219
     35        6           0.000326056    0.000102630    0.000182205
     36        6          -0.000559476    0.000609252   -0.000294829
     37        6           0.000025706   -0.000226396    0.000285860
     38        6          -0.000401097   -0.000331521   -0.000115047
     39        6          -0.000008444    0.000027326    0.000210476
     40        6          -0.000102426    0.000640787   -0.000423162
     41        6          -0.000199983   -0.000017163   -0.000127775
     42        6          -0.000226773   -0.000131761   -0.000296587
     43        6           0.000073306   -0.000018316    0.000497726
     44        6           0.000210595   -0.000479477   -0.000239526
     45        6          -0.000440551    0.000108216    0.000018225
     46        6           0.000001833    0.000131847   -0.000126610
     47        6          -0.000306895   -0.000186271   -0.000068705
     48        6          -0.000090181    0.000017871   -0.000006166
     49        6           0.000025150   -0.000004904   -0.000182798
     50        6           0.000231188    0.000390780    0.000058360
     51        6           0.000181003    0.000059821    0.000180842
     52        6          -0.000047000    0.000064622    0.000432560
     53        6          -0.000081805    0.000573220   -0.000543231
     54        6           0.000366151   -0.000306619    0.000326750
     55        6          -0.000012231    0.000034716   -0.000374981
     56        6          -0.000018945   -0.000025628   -0.000039594
     57        6           0.000117003   -0.000124198   -0.000141249
     58        6          -0.000042477   -0.000144123    0.000489087
     59        6          -0.000156108    0.000514955    0.000281690
     60        6          -0.000348295    0.000081709   -0.000344846
     61        6           0.000804625    0.000054596    0.000069723
     62        8          -0.000923128    0.002615742    0.002924861
     63       15           0.004489474    0.001922613   -0.001799480
     64        8          -0.001569953   -0.000469534    0.002252194
     65        8           0.000595568    0.001840665   -0.003364304
     66        6           0.002026545    0.000530713   -0.002320721
     67        6           0.000829154   -0.000242428    0.000080771
     68        6          -0.000161171   -0.003108547   -0.000194377
     69        6          -0.000285540   -0.000092349    0.000922508
     70        1          -0.000181993   -0.000104330    0.000402281
     71        1           0.000092101    0.000111722   -0.000125266
     72        1           0.000049697    0.000199741    0.000087825
     73        1          -0.000007519    0.000158212   -0.000320731
     74        1           0.000094042   -0.000323610    0.000063156
     75        1          -0.000288474   -0.000099798   -0.000520614
     76        1           0.000053871    0.001475569    0.001002179
     77        1          -0.000043240   -0.000104604    0.000204774
     78        1          -0.000023425   -0.000052197   -0.000100009
     79        1          -0.000047687    0.000001763    0.000068189
     80        1          -0.000158434    0.000010704   -0.000193520
     81        1           0.000092301   -0.000100276   -0.000158363
     82        1          -0.000010543    0.000247019    0.000036229
     83        1           0.000535030    0.000146933    0.000035920
     84        1           0.000042895   -0.000029866    0.000030666
     85        1          -0.000029869   -0.000023642    0.000108566
     86        1          -0.000058235    0.000003847   -0.000011091
     87        1          -0.000141650    0.000096944    0.000066722
     88        1          -0.000010973    0.000044742   -0.000080853
     89        1          -0.000077885   -0.000149893   -0.000037824
     90        1           0.000077423   -0.000031683   -0.000082877
     91        1           0.000137416   -0.000217765    0.000111332
     92        1           0.000036605   -0.000008846    0.000093247
     93        1           0.000041884    0.000071286   -0.000064694
     94        1          -0.000115975   -0.000105632    0.000102827
     95        1           0.000090757    0.000201317   -0.000088895
     96        1           0.000145900   -0.000101632    0.000026051
     97        1           0.000035002   -0.000126400    0.000022306
     98        1          -0.000183650   -0.000124795   -0.000020650
     99        1          -0.000112071   -0.000018908   -0.000027866
    100        1           0.000010954   -0.000044485    0.000024791
    101        1           0.000052136    0.000051829    0.000016068
    102        1          -0.000003852    0.000012157   -0.000051165
    103        1          -0.000353859   -0.001594519   -0.002764056
    104        1          -0.000377886    0.000242683    0.000345355
    105        1          -0.000140635    0.000337446    0.000083032
    106        1          -0.000103217   -0.000077585    0.000203349
    107        1           0.000099880    0.000011108    0.000021437
    108        1          -0.000074569   -0.001891848   -0.000011805
    109        1          -0.000416899    0.000194335    0.000491310
    110        1           0.000132377    0.000190540   -0.000593444
    111        1           0.000514773   -0.000029183   -0.000013498
    112        1          -0.000332427    0.000039707    0.000092119
    113       17          -0.000597750   -0.002017999    0.004111730
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005437331 RMS     0.000982449

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.014140784 RMS     0.001390099
 Search for a local minimum.
 Step number  14 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   13   14
 DE= -1.67D-03 DEPred=-3.18D-03 R= 5.24D-01
 TightC=F SS=  1.41D+00  RLast= 4.31D-01 DXNew= 1.0802D+00 1.2922D+00
 Trust test= 5.24D-01 RLast= 4.31D-01 DXMaxT set to 1.08D+00
 ITU=  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00469   0.00690   0.00928   0.01102   0.01248
     Eigenvalues ---    0.01494   0.01668   0.01890   0.02268   0.02459
     Eigenvalues ---    0.02486   0.02539   0.02552   0.02586   0.02603
     Eigenvalues ---    0.02632   0.02645   0.02675   0.02676   0.02687
     Eigenvalues ---    0.02698   0.02703   0.02710   0.02716   0.02724
     Eigenvalues ---    0.02734   0.02746   0.02773   0.02788   0.02796
     Eigenvalues ---    0.02802   0.02810   0.02812   0.02814   0.02817
     Eigenvalues ---    0.02826   0.02840   0.02850   0.02861   0.02865
     Eigenvalues ---    0.02874   0.02875   0.02881   0.02884   0.02896
     Eigenvalues ---    0.02899   0.02902   0.02903   0.02907   0.02917
     Eigenvalues ---    0.02917   0.02919   0.02921   0.02928   0.02930
     Eigenvalues ---    0.02942   0.02946   0.02950   0.02951   0.02952
     Eigenvalues ---    0.02954   0.02957   0.02963   0.02964   0.02966
     Eigenvalues ---    0.02967   0.02978   0.02985   0.02991   0.02992
     Eigenvalues ---    0.03000   0.03016   0.03021   0.03029   0.03033
     Eigenvalues ---    0.03042   0.03056   0.03059   0.03064   0.03071
     Eigenvalues ---    0.03081   0.03094   0.03098   0.03115   0.03121
     Eigenvalues ---    0.03133   0.03142   0.03162   0.03168   0.03177
     Eigenvalues ---    0.03188   0.03214   0.03233   0.03246   0.03255
     Eigenvalues ---    0.03277   0.03321   0.03388   0.03624   0.03999
     Eigenvalues ---    0.05326   0.05565   0.05740   0.05858   0.05887
     Eigenvalues ---    0.05917   0.06260   0.06467   0.08352   0.11157
     Eigenvalues ---    0.11350   0.11790   0.12065   0.13216   0.13566
     Eigenvalues ---    0.14848   0.15945   0.15961   0.15984   0.15992
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16007   0.16009   0.16023   0.16075   0.17851
     Eigenvalues ---    0.19121   0.20173   0.21545   0.21758   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22004   0.22033
     Eigenvalues ---    0.22297   0.22422   0.22446   0.22558   0.22598
     Eigenvalues ---    0.22598   0.22602   0.22624   0.22664   0.23352
     Eigenvalues ---    0.23443   0.23570   0.23634   0.23857   0.24201
     Eigenvalues ---    0.24280   0.24338   0.24467   0.24469   0.24494
     Eigenvalues ---    0.24507   0.24536   0.24563   0.24587   0.24703
     Eigenvalues ---    0.24867   0.24915   0.24948   0.24966   0.24971
     Eigenvalues ---    0.24973   0.24974   0.24977   0.24981   0.24990
     Eigenvalues ---    0.24993   0.25027   0.25234   0.25570   0.26116
     Eigenvalues ---    0.26532   0.27198   0.27740   0.28276   0.28576
     Eigenvalues ---    0.28746   0.28847   0.29200   0.29328   0.29649
     Eigenvalues ---    0.30058   0.30435   0.30616   0.30655   0.30785
     Eigenvalues ---    0.30918   0.31064   0.31123   0.31246   0.31341
     Eigenvalues ---    0.31387   0.31486   0.31671   0.32018   0.32140
     Eigenvalues ---    0.32234   0.32620   0.33153   0.33488   0.33559
     Eigenvalues ---    0.33956   0.34020   0.34150   0.34497   0.34670
     Eigenvalues ---    0.34855   0.34937   0.35155   0.35489   0.35572
     Eigenvalues ---    0.35805   0.36388   0.36778   0.37134   0.37309
     Eigenvalues ---    0.38917   0.39992   0.41459   0.41527   0.42041
     Eigenvalues ---    0.42479   0.42924   0.43376   0.44432   0.45277
     Eigenvalues ---    0.46366   0.47055   0.47098   0.47108   0.47318
     Eigenvalues ---    0.47763   0.47971   0.48425   0.49644   0.50044
     Eigenvalues ---    0.50395   0.50567   0.50813   0.51677   0.51819
     Eigenvalues ---    0.52087   0.52140   0.52264   0.52648   0.53101
     Eigenvalues ---    0.53118   0.53469   0.53787   0.54288   0.54345
     Eigenvalues ---    0.55006   0.55253   0.55493   0.55634   0.55859
     Eigenvalues ---    0.56018   0.56158   0.56205   0.56470   0.56682
     Eigenvalues ---    0.56923   0.57126   0.57209   0.57243   0.57854
     Eigenvalues ---    0.58234   0.58282   0.58320   0.58449   0.58538
     Eigenvalues ---    0.58627   0.58917   0.58983   0.59384   0.59484
     Eigenvalues ---    0.59792   0.59808   0.60130   0.60675   0.60877
     Eigenvalues ---    0.61787   0.62465   0.63245   0.63593   0.64429
     Eigenvalues ---    0.65265   0.65983   0.66755   0.67787   0.68873
     Eigenvalues ---    0.72075   0.72919   0.73398   0.74614   0.80371
     Eigenvalues ---    0.82685   0.85851   1.54780
 RFO step:  Lambda=-5.47958439D-03 EMin= 4.68823409D-03
 Quartic linear search produced a step of -0.29275.
 Iteration  1 RMS(Cart)=  0.11882161 RMS(Int)=  0.00236457
 Iteration  2 RMS(Cart)=  0.00678744 RMS(Int)=  0.00005871
 Iteration  3 RMS(Cart)=  0.00002201 RMS(Int)=  0.00005818
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005818
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63003   0.00044  -0.00003   0.00081   0.00078   2.63081
    R2        2.65659  -0.00005  -0.00022   0.00266   0.00246   2.65904
    R3        2.67820   0.00069  -0.00068   0.00383   0.00315   2.68136
    R4        2.65602   0.00005  -0.00013   0.00168   0.00155   2.65757
    R5        2.04516   0.00025  -0.00050   0.00552   0.00501   2.05017
    R6        2.66479  -0.00000  -0.00017   0.00209   0.00192   2.66671
    R7        2.77460   0.00008  -0.00045   0.00232   0.00187   2.77646
    R8        2.65117  -0.00000  -0.00021   0.00376   0.00354   2.65471
    R9        2.76267   0.00214  -0.00079   0.00830   0.00752   2.77019
   R10        2.61303   0.00057  -0.00050   0.00322   0.00272   2.61575
   R11        2.04603   0.00014  -0.00019   0.00247   0.00229   2.04832
   R12        2.04878   0.00020   0.00009   0.00261   0.00270   2.05148
   R13        2.69543   0.00067  -0.00027   0.00315   0.00286   2.69829
   R14        2.64826   0.00038  -0.00009   0.00150   0.00141   2.64968
   R15        2.72782   0.00195  -0.00129   0.00713   0.00584   2.73367
   R16        2.66930   0.00095  -0.00044   0.00537   0.00493   2.67424
   R17        2.74276   0.00319  -0.00104   0.00790   0.00686   2.74962
   R18        2.60319   0.00231   0.00018   0.00114   0.00129   2.60448
   R19        2.47610  -0.00277   0.00038  -0.00061  -0.00023   2.47587
   R20        2.63579   0.00034   0.00003   0.00122   0.00125   2.63704
   R21        2.04313   0.00005  -0.00052   0.00301   0.00250   2.04563
   R22        2.66115  -0.00019  -0.00014   0.00263   0.00250   2.66364
   R23        2.65813   0.00084  -0.00084   0.00501   0.00417   2.66230
   R24        2.60172   0.00015  -0.00028   0.00204   0.00176   2.60348
   R25        2.04644   0.00029   0.00014   0.00216   0.00230   2.04874
   R26        2.04513  -0.00011   0.00031  -0.00155  -0.00123   2.04389
   R27        2.66359   0.00415  -0.00090   0.00420   0.00330   2.66689
   R28        3.49275   0.00154   0.00141  -0.00724  -0.00583   3.48691
   R29        2.69231   0.00011  -0.00057   0.00264   0.00211   2.69442
   R30        2.66340  -0.00166  -0.00012  -0.00231  -0.00243   2.66097
   R31        2.56610   0.00367  -0.00166   0.01037   0.00872   2.57482
   R32        2.66890  -0.00044  -0.00011   0.00216   0.00206   2.67096
   R33        2.61165   0.00106  -0.00027   0.00218   0.00190   2.61355
   R34        2.03267  -0.00095  -0.00009   0.00154   0.00145   2.03412
   R35        2.66907  -0.00165   0.00006   0.00093   0.00097   2.67004
   R36        2.04892   0.00002  -0.00028   0.00116   0.00089   2.04980
   R37        2.61110   0.00107  -0.00004   0.00260   0.00256   2.61366
   R38        2.67151   0.00059  -0.00065   0.00275   0.00211   2.67362
   R39        2.04728  -0.00001  -0.00040   0.00158   0.00118   2.04845
   R40        2.64861   0.00008  -0.00012   0.00185   0.00174   2.65034
   R41        2.64524   0.00045  -0.00005   0.00226   0.00222   2.64746
   R42        2.66033  -0.00022  -0.00017   0.00281   0.00265   2.66297
   R43        2.65738   0.00032  -0.00019   0.00209   0.00190   2.65928
   R44        2.65317  -0.00002  -0.00005   0.00188   0.00183   2.65500
   R45        2.64860   0.00022  -0.00017   0.00217   0.00199   2.65060
   R46        2.67443   0.00038  -0.00046   0.00450   0.00404   2.67847
   R47        2.64044   0.00017  -0.00043   0.00355   0.00312   2.64356
   R48        2.73756   0.00020  -0.00067   0.00405   0.00337   2.74094
   R49        2.64304   0.00033  -0.00047   0.00401   0.00354   2.64657
   R50        2.67649   0.00041  -0.00030   0.00223   0.00193   2.67842
   R51        2.64211   0.00049  -0.00028   0.00348   0.00319   2.64530
   R52        2.63916   0.00069  -0.00027   0.00350   0.00323   2.64239
   R53        2.67824   0.00025  -0.00064   0.00391   0.00327   2.68151
   R54        2.63940   0.00057  -0.00034   0.00410   0.00377   2.64316
   R55        2.73654   0.00019  -0.00080   0.00430   0.00349   2.74003
   R56        2.64449   0.00035  -0.00026   0.00272   0.00246   2.64695
   R57        2.67943   0.00037  -0.00021   0.00227   0.00206   2.68149
   R58        2.64393   0.00036  -0.00029   0.00318   0.00289   2.64682
   R59        2.63983   0.00037  -0.00018   0.00248   0.00231   2.64214
   R60        2.67687   0.00047  -0.00054   0.00380   0.00326   2.68013
   R61        2.63926   0.00050  -0.00014   0.00274   0.00260   2.64187
   R62        2.73694   0.00013  -0.00081   0.00470   0.00389   2.74083
   R63        2.64426   0.00033  -0.00015   0.00237   0.00221   2.64647
   R64        2.67832   0.00034  -0.00038   0.00301   0.00264   2.68095
   R65        2.64321   0.00043  -0.00030   0.00330   0.00300   2.64621
   R66        2.64004   0.00037  -0.00005   0.00234   0.00229   2.64232
   R67        2.62957   0.00039  -0.00058   0.00451   0.00393   2.63349
   R68        2.05232   0.00004  -0.00004   0.00041   0.00038   2.05270
   R69        2.65201   0.00036  -0.00037   0.00366   0.00329   2.65530
   R70        2.05052   0.00023   0.00011   0.00179   0.00190   2.05242
   R71        2.63313   0.00037  -0.00027   0.00258   0.00230   2.63544
   R72        2.05194  -0.00000   0.00040  -0.00061  -0.00021   2.05173
   R73        2.04737   0.00015  -0.00046   0.00425   0.00379   2.05117
   R74        2.63313   0.00026  -0.00023   0.00188   0.00166   2.63478
   R75        2.04707   0.00054   0.00114  -0.00119  -0.00005   2.04702
   R76        2.65327   0.00032  -0.00028   0.00269   0.00241   2.65568
   R77        2.05171   0.00006   0.00002   0.00064   0.00066   2.05236
   R78        2.62885   0.00055  -0.00039   0.00375   0.00336   2.63221
   R79        2.05116   0.00007   0.00002   0.00054   0.00056   2.05172
   R80        2.05228   0.00006  -0.00001   0.00048   0.00047   2.05274
   R81        2.62965   0.00024  -0.00026   0.00243   0.00217   2.63182
   R82        2.05220   0.00018   0.00083  -0.00165  -0.00082   2.05138
   R83        2.65465   0.00013  -0.00027   0.00210   0.00183   2.65647
   R84        2.05136   0.00005   0.00008   0.00049   0.00056   2.05192
   R85        2.63233   0.00030  -0.00029   0.00214   0.00186   2.63418
   R86        2.05215   0.00013   0.00016   0.00119   0.00135   2.05350
   R87        2.04905   0.00010  -0.00025   0.00329   0.00303   2.05208
   R88        2.63211   0.00022  -0.00017   0.00175   0.00158   2.63368
   R89        2.04858   0.00023  -0.00005   0.00327   0.00322   2.05180
   R90        2.65525   0.00026  -0.00048   0.00308   0.00260   2.65785
   R91        2.05182   0.00009  -0.00005   0.00095   0.00091   2.05273
   R92        2.62855   0.00049  -0.00044   0.00445   0.00401   2.63255
   R93        2.05155  -0.00001  -0.00003  -0.00005  -0.00008   2.05147
   R94        2.05262   0.00005  -0.00002   0.00041   0.00039   2.05301
   R95        2.62981   0.00030  -0.00044   0.00333   0.00289   2.63269
   R96        2.05194   0.00021   0.00013   0.00157   0.00170   2.05364
   R97        2.65389   0.00018  -0.00048   0.00281   0.00233   2.65622
   R98        2.05107   0.00011   0.00005   0.00105   0.00110   2.05217
   R99        2.63324   0.00016  -0.00011   0.00129   0.00118   2.63442
   R100       2.05199   0.00010   0.00011   0.00079   0.00090   2.05289
   R101       2.04854   0.00022  -0.00036   0.00430   0.00394   2.05248
   R102       2.63200   0.00041  -0.00004   0.00195   0.00192   2.63391
   R103       2.04845   0.00009  -0.00035   0.00243   0.00208   2.05053
   R104       2.65453   0.00031  -0.00046   0.00353   0.00307   2.65760
   R105       2.05203  -0.00002  -0.00003  -0.00011  -0.00014   2.05189
   R106       2.62872   0.00032  -0.00036   0.00285   0.00248   2.63120
   R107       2.05108   0.00007  -0.00002   0.00041   0.00040   2.05148
   R108       2.05264   0.00002   0.00008   0.00021   0.00029   2.05293
   R109       2.77167   0.00139  -0.00012   0.00244   0.00233   2.77399
   R110       2.99220   0.00039   0.00411  -0.02343  -0.01932   2.97288
   R111       3.02297   0.00367   0.00156   0.00498   0.00654   3.02952
   R112       2.82317  -0.00114   0.00271  -0.02151  -0.01880   2.80437
   R113       2.73435   0.00047   0.00029  -0.00346  -0.00317   2.73118
   R114       2.85446   0.00058  -0.00043   0.00217   0.00174   2.85620
   R115       2.06221  -0.00031   0.00060  -0.00141  -0.00081   2.06140
   R116       2.06478  -0.00007   0.00062  -0.00173  -0.00111   2.06367
   R117       2.06896   0.00015   0.00001   0.00052   0.00053   2.06950
   R118       2.06802  -0.00011   0.00050  -0.00070  -0.00020   2.06782
   R119       2.06357  -0.00002   0.00002   0.00090   0.00092   2.06449
   R120       2.86873  -0.00024   0.00038  -0.00171  -0.00133   2.86740
   R121       2.06743  -0.00119  -0.00016  -0.00082  -0.00098   2.06646
   R122       2.06842   0.00013   0.00008   0.00117   0.00125   2.06967
   R123       2.06756   0.00019   0.00004   0.00153   0.00157   2.06913
   R124       2.06593  -0.00020   0.00002  -0.00166  -0.00164   2.06429
   R125       2.06519   0.00011   0.00012   0.00128   0.00140   2.06659
   R126       5.14532  -0.00333  -0.00973  -0.04404  -0.05377   5.09155
    A1        2.09385  -0.00029  -0.00086   0.00130   0.00043   2.09428
    A2        2.09580   0.00010   0.00117  -0.00499  -0.00382   2.09198
    A3        2.09351   0.00019  -0.00031   0.00371   0.00340   2.09691
    A4        2.11144   0.00007   0.00085  -0.00233  -0.00150   2.10994
    A5        2.05924  -0.00005  -0.00051   0.00043  -0.00007   2.05917
    A6        2.11233  -0.00002  -0.00034   0.00201   0.00168   2.11400
    A7        2.06810   0.00023  -0.00031   0.00244   0.00211   2.07021
    A8        2.13937   0.00014   0.00011   0.00077   0.00093   2.14029
    A9        2.07334  -0.00038   0.00015  -0.00286  -0.00274   2.07060
   A10        2.09692  -0.00019  -0.00037  -0.00072  -0.00110   2.09582
   A11        2.10102   0.00021   0.00056  -0.00310  -0.00255   2.09847
   A12        2.08516  -0.00002  -0.00019   0.00377   0.00360   2.08877
   A13        2.10661   0.00004   0.00051  -0.00182  -0.00133   2.10528
   A14        2.06495   0.00003  -0.00002   0.00100   0.00099   2.06593
   A15        2.11152  -0.00007  -0.00051   0.00088   0.00038   2.11190
   A16        2.08875   0.00014   0.00022   0.00064   0.00083   2.08958
   A17        2.08613  -0.00004   0.00038  -0.00202  -0.00167   2.08446
   A18        2.10831  -0.00011  -0.00061   0.00143   0.00079   2.10909
   A19        2.09700   0.00078  -0.00043   0.00273   0.00224   2.09923
   A20        2.11846  -0.00097   0.00115  -0.00586  -0.00468   2.11378
   A21        2.06645   0.00017  -0.00068   0.00279   0.00213   2.06858
   A22        2.08604   0.00071   0.00087  -0.00140  -0.00059   2.08545
   A23        2.07108  -0.00066   0.00026  -0.00275  -0.00248   2.06860
   A24        2.12355  -0.00007  -0.00099   0.00331   0.00234   2.12588
   A25        2.04902  -0.00210   0.00077  -0.01036  -0.00963   2.03939
   A26        2.14017  -0.00038   0.00001   0.00084   0.00080   2.14098
   A27        2.06963   0.00215  -0.00034   0.00542   0.00502   2.07464
   A28        2.07050   0.00040   0.00053   0.00020   0.00056   2.07105
   A29        2.07316  -0.00058  -0.00058   0.00168   0.00094   2.07410
   A30        2.13736   0.00018  -0.00028   0.00055   0.00012   2.13748
   A31        2.12365   0.00015   0.00058  -0.00057  -0.00000   2.12365
   A32        2.09744  -0.00015  -0.00051   0.00176   0.00122   2.09865
   A33        2.06208  -0.00000  -0.00010  -0.00109  -0.00122   2.06086
   A34        2.08507  -0.00017  -0.00057  -0.00026  -0.00083   2.08424
   A35        2.10596   0.00044   0.00214  -0.00825  -0.00612   2.09984
   A36        2.09176  -0.00028  -0.00153   0.00818   0.00662   2.09839
   A37        2.08694   0.00023   0.00015   0.00119   0.00135   2.08829
   A38        2.09087  -0.00002  -0.00009  -0.00006  -0.00016   2.09071
   A39        2.10508  -0.00021  -0.00003  -0.00127  -0.00131   2.10377
   A40        2.12421   0.00025  -0.00005   0.00000  -0.00006   2.12415
   A41        2.08866   0.00023  -0.00029   0.00397   0.00367   2.09233
   A42        2.06901  -0.00049   0.00049  -0.00469  -0.00422   2.06479
   A43        2.06032  -0.00320   0.00004  -0.00279  -0.00279   2.05752
   A44        2.03285   0.00774   0.00407  -0.00099   0.00304   2.03589
   A45        2.10921  -0.00364  -0.00226  -0.00386  -0.00610   2.10311
   A46        2.06588   0.00090   0.00041   0.00253   0.00277   2.06865
   A47        2.16182  -0.00009   0.00021  -0.00261  -0.00259   2.15923
   A48        2.05240  -0.00074  -0.00058   0.00277   0.00194   2.05435
   A49        2.13873   0.00078  -0.00036  -0.00001  -0.00033   2.13840
   A50        2.09824   0.00018  -0.00005   0.00036   0.00026   2.09850
   A51        2.04578  -0.00095   0.00043  -0.00064  -0.00023   2.04555
   A52        2.06038  -0.00046   0.00076  -0.00144  -0.00066   2.05972
   A53        2.11602   0.00098   0.00073  -0.00308  -0.00242   2.11360
   A54        2.11101  -0.00045  -0.00007  -0.00083  -0.00087   2.11014
   A55        2.05492  -0.00055  -0.00068   0.00419   0.00354   2.05847
   A56        2.11458  -0.00019   0.00000   0.00088   0.00080   2.11538
   A57        2.08841  -0.00009  -0.00023  -0.00149  -0.00168   2.08673
   A58        2.08014   0.00027   0.00022   0.00059   0.00085   2.08099
   A59        2.07021  -0.00052  -0.00092   0.00258   0.00158   2.07180
   A60        2.09491   0.00035  -0.00023  -0.00011  -0.00031   2.09460
   A61        2.11774   0.00016   0.00114  -0.00265  -0.00148   2.11626
   A62        2.11322   0.00026   0.00084  -0.00414  -0.00334   2.10988
   A63        2.04596  -0.00014  -0.00053   0.00326   0.00274   2.04871
   A64        2.12378  -0.00012  -0.00032   0.00102   0.00072   2.12450
   A65        2.19214  -0.00010   0.00023   0.00019   0.00041   2.19255
   A66        2.19877   0.00015   0.00066  -0.00349  -0.00283   2.19594
   A67        1.89210  -0.00005  -0.00090   0.00338   0.00248   1.89458
   A68        2.18521  -0.00042  -0.00131   0.00859   0.00728   2.19248
   A69        2.20890   0.00034   0.00187  -0.01086  -0.00899   2.19991
   A70        1.88903   0.00009  -0.00057   0.00230   0.00173   1.89076
   A71        2.19921  -0.00015   0.00030  -0.00262  -0.00233   2.19689
   A72        2.19244   0.00012   0.00029  -0.00046  -0.00017   2.19227
   A73        1.89126   0.00003  -0.00062   0.00322   0.00259   1.89385
   A74        1.89935   0.00006   0.00052  -0.00303  -0.00251   1.89684
   A75        2.26013  -0.00017  -0.00011   0.00263   0.00252   2.26266
   A76        2.12225   0.00011  -0.00046   0.00064   0.00017   2.12242
   A77        1.86846  -0.00001  -0.00028   0.00182   0.00154   1.87000
   A78        2.08835  -0.00010   0.00049  -0.00200  -0.00151   2.08684
   A79        2.32617   0.00011  -0.00023   0.00020  -0.00002   2.32614
   A80        1.86906  -0.00007   0.00017  -0.00122  -0.00105   1.86801
   A81        2.32574  -0.00002  -0.00070   0.00337   0.00266   2.32840
   A82        2.08831   0.00009   0.00052  -0.00210  -0.00158   2.08673
   A83        1.89885  -0.00006   0.00016   0.00010   0.00026   1.89912
   A84        2.26327   0.00034   0.00063  -0.00223  -0.00160   2.26167
   A85        2.11985  -0.00028  -0.00083   0.00212   0.00130   2.12115
   A86        1.90040   0.00009   0.00073  -0.00303  -0.00231   1.89809
   A87        2.25717  -0.00004   0.00000   0.00062   0.00062   2.25779
   A88        2.12494  -0.00005  -0.00079   0.00271   0.00190   2.12685
   A89        1.86575   0.00003  -0.00022   0.00136   0.00114   1.86689
   A90        2.08523  -0.00003   0.00071  -0.00306  -0.00235   2.08287
   A91        2.33202   0.00000  -0.00049   0.00169   0.00120   2.33322
   A92        1.86571  -0.00004   0.00003  -0.00038  -0.00036   1.86536
   A93        2.33228  -0.00001  -0.00060   0.00256   0.00197   2.33425
   A94        2.08509   0.00005   0.00056  -0.00216  -0.00160   2.08349
   A95        1.90081  -0.00003   0.00036  -0.00131  -0.00095   1.89986
   A96        2.25916   0.00022   0.00030  -0.00019   0.00011   2.25927
   A97        2.12258  -0.00019  -0.00074   0.00178   0.00104   2.12361
   A98        1.89893   0.00011   0.00034  -0.00121  -0.00087   1.89807
   A99        2.26022   0.00001   0.00039  -0.00219  -0.00179   2.25843
   A100       2.12338  -0.00012  -0.00078   0.00359   0.00280   2.12618
   A101       1.86790  -0.00018  -0.00001  -0.00102  -0.00103   1.86687
   A102       2.08577   0.00017   0.00057  -0.00084  -0.00028   2.08549
   A103       2.32941   0.00001  -0.00057   0.00184   0.00128   2.33069
   A104       1.86569   0.00011  -0.00002   0.00164   0.00162   1.86731
   A105       2.33060   0.00001  -0.00041   0.00224   0.00183   2.33243
   A106       2.08666  -0.00012   0.00043  -0.00382  -0.00339   2.08327
   A107       1.90095  -0.00007   0.00031  -0.00263  -0.00232   1.89863
   A108       2.26036   0.00010   0.00041  -0.00064  -0.00024   2.26012
   A109       2.12131  -0.00003  -0.00076   0.00342   0.00267   2.12397
   A110       2.07975  -0.00002  -0.00002  -0.00069  -0.00071   2.07904
   A111       2.09996  -0.00000   0.00017  -0.00045  -0.00028   2.09968
   A112       2.10347   0.00002  -0.00016   0.00112   0.00097   2.10444
   A113       2.10256   0.00012  -0.00016   0.00328   0.00312   2.10568
   A114       2.09237  -0.00003   0.00001  -0.00085  -0.00085   2.09152
   A115       2.08825  -0.00009   0.00015  -0.00245  -0.00230   2.08595
   A116       2.12071  -0.00018  -0.00004  -0.00400  -0.00403   2.11668
   A117       2.08541   0.00011  -0.00006   0.00269   0.00264   2.08805
   A118       2.07707   0.00007   0.00009   0.00130   0.00139   2.07846
   A119       2.05472   0.00026   0.00048   0.00149   0.00195   2.05667
   A120       2.12178  -0.00001   0.00028  -0.00199  -0.00173   2.12006
   A121       2.10663  -0.00025  -0.00076   0.00041  -0.00037   2.10626
   A122       2.05203   0.00006   0.00018   0.00117   0.00134   2.05338
   A123       2.12395  -0.00009  -0.00020  -0.00039  -0.00059   2.12336
   A124       2.10706   0.00003   0.00002  -0.00078  -0.00075   2.10631
   A125       2.12122  -0.00008   0.00007  -0.00136  -0.00131   2.11991
   A126       2.07611   0.00003  -0.00020   0.00095   0.00075   2.07687
   A127       2.08580   0.00005   0.00012   0.00046   0.00059   2.08639
   A128       2.10376   0.00005  -0.00017   0.00112   0.00094   2.10470
   A129       2.08783  -0.00006   0.00003  -0.00135  -0.00133   2.08650
   A130       2.09157   0.00001   0.00014   0.00017   0.00030   2.09187
   A131       2.07822  -0.00004  -0.00011   0.00046   0.00035   2.07856
   A132       2.10069   0.00000   0.00027  -0.00076  -0.00050   2.10020
   A133       2.10422   0.00004  -0.00016   0.00031   0.00016   2.10438
   A134       2.08022   0.00006  -0.00008   0.00125   0.00115   2.08137
   A135       2.10010  -0.00002   0.00016  -0.00097  -0.00081   2.09929
   A136       2.10283  -0.00004  -0.00010  -0.00020  -0.00031   2.10253
   A137       2.10455  -0.00008  -0.00027  -0.00028  -0.00055   2.10399
   A138       2.09139   0.00006  -0.00005   0.00101   0.00096   2.09235
   A139       2.08724   0.00002   0.00032  -0.00074  -0.00042   2.08682
   A140       2.11895   0.00009   0.00016   0.00013   0.00029   2.11924
   A141       2.08492  -0.00005  -0.00006  -0.00062  -0.00069   2.08424
   A142       2.07930  -0.00003  -0.00010   0.00048   0.00038   2.07968
   A143       2.05482   0.00007   0.00033  -0.00065  -0.00033   2.05449
   A144       2.11592  -0.00001   0.00012  -0.00066  -0.00056   2.11536
   A145       2.11239  -0.00006  -0.00046   0.00142   0.00094   2.11333
   A146       2.05175   0.00009   0.00028  -0.00010   0.00017   2.05192
   A147       2.11970  -0.00006   0.00027  -0.00062  -0.00035   2.11935
   A148       2.11171  -0.00003  -0.00056   0.00071   0.00015   2.11186
   A149       2.12054  -0.00006   0.00025  -0.00179  -0.00154   2.11900
   A150       2.07733   0.00003   0.00017   0.00044   0.00061   2.07794
   A151       2.08530   0.00004  -0.00042   0.00135   0.00094   2.08623
   A152       2.10496   0.00002  -0.00039   0.00187   0.00148   2.10644
   A153       2.08665  -0.00001   0.00030  -0.00093  -0.00064   2.08601
   A154       2.09154  -0.00001   0.00009  -0.00092  -0.00083   2.09070
   A155       2.07880   0.00002  -0.00009   0.00053   0.00043   2.07923
   A156       2.10063  -0.00000   0.00009  -0.00021  -0.00012   2.10051
   A157       2.10376  -0.00002  -0.00000  -0.00031  -0.00032   2.10344
   A158       2.07978   0.00008   0.00013   0.00137   0.00150   2.08128
   A159       2.10043  -0.00006   0.00020  -0.00137  -0.00117   2.09926
   A160       2.10298  -0.00002  -0.00033   0.00000  -0.00033   2.10264
   A161       2.10437  -0.00004  -0.00024   0.00046   0.00021   2.10458
   A162       2.09143   0.00005   0.00024   0.00036   0.00058   2.09201
   A163       2.08732  -0.00001   0.00000  -0.00072  -0.00073   2.08659
   A164       2.11889   0.00004   0.00001  -0.00059  -0.00058   2.11832
   A165       2.08527  -0.00000   0.00005   0.00052   0.00056   2.08583
   A166       2.07900  -0.00004  -0.00006   0.00010   0.00004   2.07904
   A167       2.05519   0.00006   0.00041  -0.00077  -0.00036   2.05482
   A168       2.11891  -0.00003   0.00016  -0.00097  -0.00081   2.11809
   A169       2.10903  -0.00003  -0.00058   0.00179   0.00121   2.11024
   A170       2.05304   0.00002   0.00045  -0.00219  -0.00178   2.05127
   A171       2.12140  -0.00004   0.00025  -0.00053  -0.00030   2.12111
   A172       2.10868   0.00002  -0.00071   0.00287   0.00214   2.11081
   A173       2.12087  -0.00009  -0.00003  -0.00187  -0.00190   2.11897
   A174       2.07690   0.00002   0.00020  -0.00011   0.00009   2.07699
   A175       2.08541   0.00007  -0.00017   0.00198   0.00181   2.08721
   A176       2.10323   0.00023  -0.00018   0.00474   0.00454   2.10777
   A177       2.08749  -0.00010   0.00004  -0.00188  -0.00183   2.08566
   A178       2.09246  -0.00013   0.00013  -0.00287  -0.00273   2.08973
   A179       2.07999  -0.00020  -0.00005  -0.00339  -0.00351   2.07648
   A180       2.10000   0.00008   0.00027   0.00075   0.00100   2.10099
   A181       2.10316   0.00012  -0.00023   0.00280   0.00254   2.10570
   A182       1.97609  -0.00006   0.00259  -0.02544  -0.02309   1.95300
   A183       1.77994   0.00676   0.00384  -0.01064  -0.00704   1.77290
   A184       1.80717  -0.00224  -0.00292   0.03223   0.02933   1.83650
   A185       2.08876  -0.00165   0.00156  -0.01178  -0.01050   2.07826
   A186       1.93383  -0.00083  -0.00460   0.01643   0.01199   1.94582
   A187       1.85138  -0.00183  -0.00082   0.00500   0.00419   1.85556
   A188       2.12414   0.00912   0.01029  -0.04594  -0.03565   2.08849
   A189       2.30421   0.01042   0.00026   0.02013   0.02039   2.32460
   A190       1.87463  -0.00047   0.00012   0.00559   0.00616   1.88079
   A191       1.91044   0.00390   0.01161  -0.06927  -0.05771   1.85273
   A192       1.83244  -0.00214  -0.00455   0.02060   0.01566   1.84810
   A193       1.93000   0.00179  -0.00674   0.05346   0.04679   1.97679
   A194       1.97296   0.00085   0.00052  -0.00192  -0.00151   1.97144
   A195       1.93900  -0.00384  -0.00019  -0.01364  -0.01426   1.92474
   A196       1.89784   0.00014   0.00090  -0.00426  -0.00336   1.89448
   A197       1.94859  -0.00007  -0.00126   0.00557   0.00431   1.95290
   A198       1.91648   0.00011  -0.00002  -0.00104  -0.00106   1.91542
   A199       1.88984  -0.00001   0.00001  -0.00077  -0.00075   1.88909
   A200       1.89171  -0.00019   0.00039  -0.00285  -0.00247   1.88924
   A201       1.91822   0.00001   0.00003   0.00302   0.00305   1.92126
   A202       1.87564  -0.00026  -0.00023   0.00154   0.00131   1.87695
   A203       1.89847   0.00066   0.00088  -0.00122  -0.00034   1.89813
   A204       1.90433  -0.00005  -0.00008  -0.00181  -0.00189   1.90244
   A205       1.94095  -0.00082  -0.00087   0.00020  -0.00068   1.94028
   A206       1.93877   0.00003   0.00018   0.00037   0.00055   1.93931
   A207       1.90481   0.00046   0.00015   0.00083   0.00098   1.90579
   A208       1.91403  -0.00010   0.00068  -0.00428  -0.00360   1.91043
   A209       1.92673   0.00020  -0.00048   0.00245   0.00197   1.92870
   A210       1.93923  -0.00017   0.00047  -0.00031   0.00016   1.93939
   A211       1.89401   0.00003  -0.00054   0.00288   0.00234   1.89635
   A212       1.89472   0.00000   0.00001  -0.00321  -0.00320   1.89152
   A213       1.89421   0.00005  -0.00017   0.00252   0.00234   1.89655
   A214       2.20937   0.01414   0.00024   0.00196   0.00220   2.21157
    D1        0.00681   0.00004  -0.00046   0.00006  -0.00040   0.00641
    D2        3.12821  -0.00004  -0.00034   0.00672   0.00638   3.13459
    D3        3.14131   0.00007  -0.00065   0.00219   0.00154  -3.14034
    D4       -0.02048  -0.00001  -0.00053   0.00885   0.00831  -0.01216
    D5       -0.01946  -0.00014   0.00189  -0.01319  -0.01130  -0.03076
    D6        3.11901   0.00002  -0.00010   0.00279   0.00268   3.12169
    D7        3.12922  -0.00017   0.00207  -0.01528  -0.01321   3.11601
    D8       -0.01550  -0.00001   0.00008   0.00070   0.00077  -0.01473
    D9        2.17737   0.00003   0.00234  -0.00359  -0.00124   2.17613
   D10       -0.98653   0.00005   0.00142   0.00164   0.00305  -0.98348
   D11       -0.97131   0.00006   0.00215  -0.00147   0.00068  -0.97063
   D12        2.14797   0.00008   0.00123   0.00375   0.00498   2.15295
   D13        0.02323   0.00015  -0.00112   0.01293   0.01182   0.03505
   D14       -3.04334   0.00031  -0.00040   0.00747   0.00706  -3.03627
   D15       -3.09755   0.00023  -0.00123   0.00609   0.00485  -3.09270
   D16        0.11907   0.00038  -0.00052   0.00062   0.00009   0.11916
   D17       -0.04094  -0.00023   0.00129  -0.01301  -0.01172  -0.05267
   D18        3.08642  -0.00036   0.00240  -0.01741  -0.01501   3.07141
   D19        3.02851  -0.00036   0.00061  -0.00762  -0.00701   3.02151
   D20       -0.12731  -0.00049   0.00171  -0.01201  -0.01029  -0.13760
   D21       -3.06014   0.00053  -0.00678   0.03233   0.02555  -3.03459
   D22        0.13670   0.00092  -0.00772   0.03958   0.03186   0.16855
   D23        0.15670   0.00066  -0.00605   0.02664   0.02059   0.17729
   D24       -2.92965   0.00105  -0.00698   0.03389   0.02690  -2.90275
   D25        0.02906   0.00013   0.00014   0.00004   0.00018   0.02924
   D26       -3.12845   0.00008  -0.00070   0.00384   0.00314  -3.12531
   D27       -3.09842   0.00025  -0.00096   0.00445   0.00349  -3.09493
   D28        0.02725   0.00020  -0.00180   0.00825   0.00645   0.03370
   D29       -0.16943  -0.00037   0.00481  -0.02044  -0.01564  -0.18507
   D30        2.90326  -0.00018   0.00015   0.01829   0.01846   2.92172
   D31        2.95803  -0.00050   0.00590  -0.02484  -0.01895   2.93908
   D32       -0.25247  -0.00031   0.00124   0.01389   0.01515  -0.23732
   D33        0.00152   0.00006  -0.00173   0.01309   0.01136   0.01289
   D34       -3.13690  -0.00010   0.00028  -0.00309  -0.00282  -3.13972
   D35       -3.12372   0.00011  -0.00088   0.00919   0.00832  -3.11541
   D36        0.02104  -0.00005   0.00113  -0.00699  -0.00587   0.01518
   D37        0.11613   0.00024   0.00370  -0.00775  -0.00404   0.11209
   D38       -2.95062   0.00062   0.00147   0.00468   0.00616  -2.94446
   D39       -3.07908  -0.00017   0.00466  -0.01506  -0.01039  -3.08947
   D40        0.13736   0.00020   0.00243  -0.00262  -0.00020   0.13716
   D41        3.01768  -0.00049  -0.00057  -0.00702  -0.00759   3.01010
   D42       -0.13080  -0.00015  -0.00302   0.01001   0.00699  -0.12381
   D43       -0.06960  -0.00013  -0.00149   0.00010  -0.00140  -0.07100
   D44        3.06509   0.00022  -0.00395   0.01713   0.01318   3.07827
   D45       -0.41000  -0.00050   0.00276  -0.02259  -0.01978  -0.42979
   D46        2.97058   0.00083   0.00067  -0.00343  -0.00278   2.96780
   D47        2.65442  -0.00091   0.00512  -0.03568  -0.03054   2.62388
   D48       -0.24819   0.00042   0.00303  -0.01653  -0.01354  -0.26172
   D49       -0.09910  -0.00021  -0.00170   0.00270   0.00101  -0.09809
   D50        2.98674  -0.00037   0.00185  -0.01271  -0.01087   2.97587
   D51        3.11902   0.00014  -0.00406   0.01563   0.01159   3.13061
   D52       -0.07833  -0.00003  -0.00051   0.00023  -0.00029  -0.07862
   D53        0.43615   0.00053  -0.00712   0.03711   0.02995   0.46609
   D54       -2.63386   0.00036  -0.00226  -0.00317  -0.00549  -2.63936
   D55       -2.93448  -0.00107  -0.00507   0.01822   0.01312  -2.92136
   D56        0.27869  -0.00124  -0.00021  -0.02206  -0.02232   0.25637
   D57        2.74447  -0.00036  -0.00103   0.01245   0.01135   2.75582
   D58       -0.81390   0.00099   0.00307  -0.00714  -0.00416  -0.81806
   D59       -0.15545   0.00154  -0.00329   0.03388   0.03060  -0.12486
   D60        2.56936   0.00289   0.00081   0.01430   0.01509   2.58445
   D61        3.05048   0.00011   0.00700  -0.04162  -0.03467   3.01581
   D62       -0.16280   0.00032   0.00219  -0.00134   0.00082  -0.16198
   D63       -0.04099  -0.00003  -0.00024   0.00227   0.00204  -0.03895
   D64        3.13070   0.00015  -0.00218   0.01477   0.01255  -3.13993
   D65        3.10736  -0.00037   0.00217  -0.01444  -0.01224   3.09512
   D66       -0.00413  -0.00019   0.00022  -0.00194  -0.00174  -0.00586
   D67        0.08248   0.00004   0.00108  -0.00237  -0.00130   0.08118
   D68       -3.03339   0.00008   0.00004   0.00362   0.00367  -3.02972
   D69       -3.08897  -0.00012   0.00306  -0.01505  -0.01202  -3.10099
   D70        0.07835  -0.00009   0.00203  -0.00905  -0.00705   0.07130
   D71       -2.32448  -0.00002  -0.00064  -0.00001  -0.00065  -2.32513
   D72        0.80429   0.00015  -0.00136   0.00261   0.00125   0.80553
   D73        0.84733   0.00016  -0.00261   0.01268   0.01008   0.85741
   D74       -2.30709   0.00033  -0.00333   0.01530   0.01197  -2.29512
   D75       -0.01173   0.00010  -0.00013   0.00002  -0.00012  -0.01185
   D76       -3.09818   0.00024  -0.00363   0.01499   0.01135  -3.08683
   D77        3.10393   0.00006   0.00091  -0.00601  -0.00510   3.09882
   D78        0.01748   0.00021  -0.00259   0.00896   0.00636   0.02384
   D79       -0.05169  -0.00054   0.00450  -0.02375  -0.01923  -0.07091
   D80       -3.10679  -0.00148   0.00394  -0.06154  -0.05753   3.11886
   D81       -2.75754  -0.00476  -0.00133  -0.00400  -0.00540  -2.76294
   D82        0.47054  -0.00570  -0.00188  -0.04179  -0.04370   0.42684
   D83        0.04900  -0.00321  -0.01795  -0.10944  -0.12720  -0.07819
   D84       -2.21867  -0.00608  -0.02456  -0.07057  -0.09525  -2.31392
   D85        2.14435  -0.00566  -0.02401  -0.08251  -0.10661   2.03774
   D86        2.76139  -0.00160  -0.01311  -0.12931  -0.14222   2.61917
   D87        0.49372  -0.00447  -0.01972  -0.09044  -0.11027   0.38345
   D88       -1.42645  -0.00406  -0.01917  -0.10238  -0.12163  -1.54808
   D89        0.17307  -0.00067  -0.00259  -0.00015  -0.00275   0.17032
   D90       -3.00087  -0.00033  -0.00143  -0.01107  -0.01254  -3.01341
   D91       -3.04954   0.00024  -0.00203   0.03499   0.03300  -3.01654
   D92        0.05970   0.00057  -0.00088   0.02406   0.02321   0.08291
   D93        3.03244   0.00037   0.00177   0.00040   0.00211   3.03456
   D94       -0.16375  -0.00018   0.00141   0.00669   0.00804  -0.15571
   D95       -0.02328  -0.00064   0.00118  -0.03712  -0.03594  -0.05922
   D96        3.06371  -0.00118   0.00081  -0.03083  -0.03001   3.03370
   D97       -0.06268   0.00089  -0.00081   0.01304   0.01226  -0.05042
   D98        3.11034   0.00054  -0.00193   0.02364   0.02176   3.13211
   D99       -0.05358  -0.00013  -0.00037   0.00536   0.00500  -0.04858
   D100       3.11023  -0.00032  -0.00017  -0.00170  -0.00186   3.10837
   D101       3.05735   0.00022   0.00071  -0.00498  -0.00429   3.05306
   D102      -0.06202   0.00003   0.00091  -0.01205  -0.01115  -0.07317
   D103      -0.02083   0.00023  -0.00029   0.02131   0.02100   0.00017
   D104       3.10852   0.00001  -0.00093   0.01927   0.01834   3.12687
   D105      -3.10952   0.00076   0.00004   0.01536   0.01537  -3.09415
   D106       0.01983   0.00053  -0.00059   0.01332   0.01271   0.03254
   D107       0.02840   0.00024  -0.00095   0.00892   0.00798   0.03639
   D108      -3.14020   0.00010  -0.00121   0.00150   0.00030  -3.13990
   D109      -3.10101   0.00047  -0.00031   0.01097   0.01065  -3.09036
   D110       0.01357   0.00033  -0.00057   0.00355   0.00297   0.01654
   D111       0.00893  -0.00031   0.00126  -0.02190  -0.02063  -0.01169
   D112       3.12731  -0.00011   0.00105  -0.01449  -0.01344   3.11386
   D113      -3.10528  -0.00016   0.00154  -0.01442  -0.01287  -3.11814
   D114       0.01310   0.00003   0.00133  -0.00701  -0.00568   0.00742
   D115      -2.22722   0.00017  -0.00266   0.01346   0.01079  -2.21643
   D116       0.94226  -0.00003  -0.00120   0.00621   0.00501   0.94726
   D117       0.88661   0.00002  -0.00296   0.00592   0.00296   0.88957
   D118      -2.22710  -0.00019  -0.00150  -0.00134  -0.00283  -2.22993
   D119       3.12529  -0.00003   0.00003  -0.00160  -0.00156   3.12373
   D120      -0.05586   0.00004  -0.00171   0.00705   0.00533  -0.05052
   D121       0.00273  -0.00004   0.00080  -0.00599  -0.00518  -0.00246
   D122       3.10476   0.00002  -0.00094   0.00266   0.00171   3.10648
   D123      -3.12327   0.00000   0.00015  -0.00029  -0.00014  -3.12340
   D124      -0.02018   0.00003  -0.00200   0.00818   0.00619  -0.01399
   D125      -0.00079   0.00002  -0.00063   0.00417   0.00354   0.00275
   D126       3.10230   0.00004  -0.00278   0.01264   0.00986   3.11216
   D127       3.13516   0.00007  -0.00096   0.00542   0.00447   3.13962
   D128       0.05164   0.00002   0.00010   0.00063   0.00073   0.05237
   D129       0.00441  -0.00007  -0.00037   0.00331   0.00294   0.00734
   D130      -3.07911  -0.00012   0.00068  -0.00148  -0.00081  -3.07991
   D131      -3.13721  -0.00009   0.00114  -0.00644  -0.00529   3.14068
   D132       0.05758  -0.00003   0.00200  -0.00657  -0.00457   0.05302
   D133      -0.00665   0.00006   0.00051  -0.00414  -0.00362  -0.01027
   D134      -3.09504   0.00011   0.00137  -0.00426  -0.00290  -3.09794
   D135      -3.12687  -0.00013   0.00151  -0.00648  -0.00497  -3.13184
   D136       0.05376  -0.00011   0.00305  -0.01246  -0.00941   0.04435
   D137      -0.00916   0.00005   0.00027  -0.00030  -0.00003  -0.00919
   D138      -3.11172   0.00007   0.00181  -0.00628  -0.00447  -3.11619
   D139       3.12571   0.00012  -0.00137   0.00638   0.00501   3.13072
   D140       0.02079   0.00010  -0.00018   0.00135   0.00117   0.02196
   D141       0.00788  -0.00005  -0.00014   0.00026   0.00012   0.00801
   D142      -3.09703  -0.00007   0.00105  -0.00477  -0.00371  -3.10075
   D143      -0.00053   0.00006   0.00009  -0.00123  -0.00114  -0.00167
   D144      -3.12324   0.00002   0.00077  -0.00229  -0.00152  -3.12476
   D145       3.08846   0.00010  -0.00086   0.00320   0.00234   3.09080
   D146      -0.03426   0.00006  -0.00018   0.00215   0.00197  -0.03229
   D147       3.11148  -0.00002  -0.00061   0.00068   0.00007   3.11155
   D148      -0.01208  -0.00002  -0.00037   0.00036  -0.00001  -0.01209
   D149       0.03443  -0.00007   0.00053  -0.00456  -0.00403   0.03040
   D150      -3.08913  -0.00007   0.00077  -0.00488  -0.00411  -3.09324
   D151      -0.00350  -0.00003   0.00022  -0.00128  -0.00105  -0.00455
   D152       3.12365  -0.00007  -0.00045   0.00225   0.00180   3.12546
   D153       3.11556   0.00001  -0.00058  -0.00004  -0.00062   3.11494
   D154      -0.04047  -0.00003  -0.00125   0.00348   0.00223  -0.03824
   D155       0.01151  -0.00006  -0.00004  -0.00367  -0.00371   0.00781
   D156      -3.14134  -0.00001  -0.00021  -0.00288  -0.00309   3.13876
   D157      -3.10529  -0.00011   0.00085  -0.00507  -0.00421  -3.10950
   D158       0.02504  -0.00006   0.00068  -0.00428  -0.00359   0.02145
   D159       0.00626  -0.00002  -0.00045   0.00332   0.00286   0.00912
   D160       3.09985  -0.00005  -0.00117   0.00328   0.00211   3.10195
   D161      -3.12324   0.00002   0.00013   0.00031   0.00044  -3.12280
   D162      -0.02965  -0.00001  -0.00059   0.00028  -0.00032  -0.02996
   D163      -3.11967   0.00012   0.00049   0.00006   0.00055  -3.11912
   D164       0.01605   0.00007   0.00086  -0.00361  -0.00275   0.01330
   D165       0.00605   0.00007  -0.00026   0.00395   0.00370   0.00974
   D166      -3.14142   0.00002   0.00011   0.00028   0.00039  -3.14103
   D167       3.11518  -0.00012   0.00022  -0.00667  -0.00646   3.10872
   D168      -0.01514  -0.00008   0.00014   0.00320   0.00334  -0.01180
   D169       0.03264  -0.00007   0.00113  -0.00673  -0.00561   0.02702
   D170      -3.09768  -0.00003   0.00106   0.00314   0.00419  -3.09350
   D171      -0.00354   0.00005  -0.00066   0.00542   0.00476   0.00122
   D172       3.11991   0.00014  -0.00060   0.00490   0.00429   3.12420
   D173      -3.10915  -0.00001   0.00091  -0.00241  -0.00149  -3.11064
   D174       0.01430   0.00008   0.00096  -0.00293  -0.00196   0.01234
   D175      -3.11592  -0.00007   0.00070  -0.00121  -0.00051  -3.11643
   D176       0.01783  -0.00015   0.00057  -0.00383  -0.00326   0.01456
   D177      -0.01835   0.00000  -0.00121   0.00830   0.00710  -0.01125
   D178       3.11540  -0.00008  -0.00134   0.00568   0.00434   3.11974
   D179       0.00300  -0.00004   0.00026  -0.00282  -0.00256   0.00045
   D180      -3.12282  -0.00003   0.00088  -0.00443  -0.00355  -3.12637
   D181      -3.11677  -0.00014   0.00018  -0.00212  -0.00194  -3.11871
   D182       0.04059  -0.00013   0.00080  -0.00373  -0.00293   0.03766
   D183       0.00062  -0.00012  -0.00002  -0.00491  -0.00493  -0.00431
   D184       3.14142   0.00002  -0.00033   0.00178   0.00146  -3.14031
   D185       3.11823  -0.00000   0.00006  -0.00563  -0.00557   3.11266
   D186      -0.02416   0.00013  -0.00025   0.00106   0.00082  -0.02334
   D187      -0.00139   0.00001   0.00022  -0.00079  -0.00056  -0.00195
   D188      -3.10807  -0.00002   0.00214  -0.00843  -0.00628  -3.11435
   D189       3.12709   0.00001  -0.00031   0.00060   0.00030   3.12739
   D190       0.02042  -0.00003   0.00161  -0.00704  -0.00542   0.01500
   D191       3.11430   0.00010  -0.00214   0.01424   0.01210   3.12640
   D192      -0.01907   0.00000  -0.00099   0.00284   0.00185  -0.01722
   D193      -0.00997   0.00011  -0.00145   0.01245   0.01100   0.00103
   D194       3.13985   0.00001  -0.00031   0.00105   0.00074   3.14060
   D195      -3.11465  -0.00011   0.00175  -0.01303  -0.01127  -3.12592
   D196       0.01600  -0.00004   0.00058  -0.00130  -0.00072   0.01528
   D197      -0.01583  -0.00007  -0.00060  -0.00368  -0.00428  -0.02011
   D198       3.11482  -0.00000  -0.00178   0.00805   0.00627   3.12109
   D199       0.00684  -0.00002  -0.00029   0.00020  -0.00009   0.00675
   D200      -3.12130  -0.00002   0.00028   0.00124   0.00152  -3.11978
   D201       3.11305  -0.00004  -0.00165   0.00547   0.00384   3.11689
   D202      -0.01509  -0.00004  -0.00108   0.00652   0.00545  -0.00964
   D203       3.10929   0.00014  -0.00140   0.01351   0.01213   3.12142
   D204      -0.02036  -0.00001  -0.00010  -0.00022  -0.00031  -0.02066
   D205       0.01111   0.00016   0.00028   0.00698   0.00726   0.01837
   D206      -3.11854   0.00001   0.00157  -0.00675  -0.00517  -3.12371
   D207      -0.00199  -0.00001   0.00021  -0.00005   0.00015  -0.00184
   D208       3.11538   0.00014   0.00011   0.00293   0.00305   3.11842
   D209       3.12347  -0.00001  -0.00046  -0.00134  -0.00181   3.12166
   D210      -0.04235   0.00014  -0.00056   0.00165   0.00109  -0.04126
   D211       0.00893  -0.00014   0.00120  -0.01886  -0.01763  -0.00870
   D212       3.14049   0.00002   0.00008  -0.00165  -0.00157   3.13892
   D213      -3.11494  -0.00014   0.00195  -0.01745  -0.01548  -3.13041
   D214       0.01662   0.00002   0.00082  -0.00024   0.00059   0.01721
   D215      -0.00359   0.00004  -0.00005  -0.00012  -0.00016  -0.00375
   D216       3.10480   0.00006  -0.00109   0.00435   0.00325   3.10806
   D217      -3.12499  -0.00009   0.00005  -0.00269  -0.00264  -3.12763
   D218      -0.01660  -0.00007  -0.00100   0.00177   0.00078  -0.01582
   D219      -3.11331  -0.00009   0.00052  -0.00087  -0.00036  -3.11367
   D220       0.02546  -0.00014   0.00039   0.00191   0.00230   0.02776
   D221       0.00163   0.00008   0.00040   0.00248   0.00288   0.00451
   D222       3.14040   0.00003   0.00028   0.00526   0.00554  -3.13725
   D223       3.11928   0.00005  -0.00046   0.00267   0.00221   3.12149
   D224      -0.01042   0.00004   0.00007  -0.00141  -0.00134  -0.01176
   D225       0.01840   0.00004   0.00083  -0.00279  -0.00196   0.01644
   D226      -3.11130   0.00002   0.00137  -0.00687  -0.00551  -3.11681
   D227       0.01313  -0.00003   0.00054  -0.00155  -0.00100   0.01213
   D228      -3.13293  -0.00011   0.00042  -0.00642  -0.00600  -3.13893
   D229      -3.12258   0.00002   0.00018   0.00214   0.00232  -3.12026
   D230       0.01455  -0.00006   0.00005  -0.00273  -0.00268   0.01186
   D231      -0.00972  -0.00006   0.00002  -0.00525  -0.00522  -0.01494
   D232       3.13244  -0.00010   0.00024  -0.00724  -0.00700   3.12544
   D233       3.13633   0.00002   0.00015  -0.00040  -0.00024   3.13609
   D234      -0.00469  -0.00002   0.00037  -0.00238  -0.00202  -0.00671
   D235      -0.01307   0.00010  -0.00087   0.00927   0.00840  -0.00468
   D236       3.11735   0.00006  -0.00079  -0.00053  -0.00133   3.11602
   D237       3.12795   0.00015  -0.00108   0.01125   0.01017   3.13812
   D238      -0.02482   0.00010  -0.00100   0.00145   0.00044  -0.02437
   D239      -0.01306   0.00010  -0.00070   0.00880   0.00810  -0.00496
   D240       3.14010   0.00002   0.00010   0.00403   0.00413  -3.13896
   D241       3.11068   0.00010  -0.00094   0.00912   0.00818   3.11886
   D242      -0.01935   0.00002  -0.00014   0.00435   0.00421  -0.01514
   D243      -0.00868  -0.00011   0.00050  -0.01067  -0.01017  -0.01885
   D244       3.14046  -0.00001   0.00028  -0.00165  -0.00137   3.13909
   D245       3.12128  -0.00003  -0.00030  -0.00587  -0.00618   3.11511
   D246      -0.01277   0.00007  -0.00052   0.00315   0.00262  -0.01014
   D247       0.00935   0.00008  -0.00011   0.00784   0.00773   0.01708
   D248      -3.12097   0.00003   0.00005   0.00705   0.00711  -3.11385
   D249      -3.13981  -0.00002   0.00010  -0.00121  -0.00110  -3.14091
   D250       0.01307  -0.00007   0.00027  -0.00199  -0.00172   0.01135
   D251      -0.00416  -0.00009   0.00034  -0.00735  -0.00701  -0.01117
   D252       3.14059  -0.00004   0.00073  -0.00544  -0.00471   3.13588
   D253       3.12919   0.00001  -0.00080   0.00407   0.00326   3.13246
   D254      -0.00924   0.00005  -0.00041   0.00597   0.00556  -0.00369
   D255       0.00870  -0.00001   0.00067  -0.00359  -0.00292   0.00578
   D256      -3.12763  -0.00002   0.00128  -0.00044   0.00084  -3.12680
   D257      -3.13604  -0.00006   0.00028  -0.00548  -0.00520  -3.14124
   D258       0.01081  -0.00006   0.00089  -0.00234  -0.00145   0.00936
   D259       0.00132   0.00010  -0.00053   0.00896   0.00843   0.00976
   D260      -3.12935   0.00002   0.00064  -0.00273  -0.00209  -3.13144
   D261       3.13768   0.00010  -0.00114   0.00582   0.00469  -3.14082
   D262       0.00700   0.00003   0.00003  -0.00586  -0.00584   0.00116
   D263       0.00804  -0.00005   0.00055  -0.00609  -0.00554   0.00250
   D264      -3.13962  -0.00005   0.00036  -0.00398  -0.00361   3.13995
   D265      -3.12575   0.00003   0.00068  -0.00347  -0.00279  -3.12854
   D266       0.00977   0.00003   0.00049  -0.00136  -0.00087   0.00890
   D267       0.00643   0.00002   0.00037  -0.00160  -0.00122   0.00521
   D268       3.13809   0.00006   0.00014  -0.00056  -0.00042   3.13767
   D269      -3.12907   0.00001   0.00056  -0.00372  -0.00315  -3.13222
   D270       0.00259   0.00005   0.00033  -0.00269  -0.00235   0.00024
   D271      -0.01071   0.00007  -0.00063   0.00715   0.00652  -0.00419
   D272       3.13168  -0.00006  -0.00032   0.00044   0.00012   3.13180
   D273       3.14084   0.00003  -0.00040   0.00611   0.00571  -3.13663
   D274       0.00004  -0.00010  -0.00010  -0.00059  -0.00069  -0.00064
   D275       0.01075  -0.00006   0.00033  -0.00566  -0.00533   0.00542
   D276       3.14015   0.00005   0.00018   0.00351   0.00369  -3.13934
   D277      -3.12801  -0.00001   0.00045  -0.00844  -0.00799  -3.13601
   D278       0.00139   0.00009   0.00031   0.00072   0.00103   0.00242
   D279      -0.00880   0.00003  -0.00050   0.00467   0.00418  -0.00463
   D280       3.12500   0.00008  -0.00056   0.00996   0.00940   3.13440
   D281      -3.13823  -0.00008  -0.00035  -0.00448  -0.00483   3.14013
   D282      -0.00442  -0.00003  -0.00041   0.00081   0.00039  -0.00403
   D283      -0.00577  -0.00001  -0.00009  -0.00036  -0.00045  -0.00622
   D284       3.12400   0.00001  -0.00062   0.00368   0.00306   3.12706
   D285      -3.13961  -0.00006  -0.00003  -0.00563  -0.00566   3.13792
   D286      -0.00984  -0.00005  -0.00055  -0.00159  -0.00214  -0.01198
   D287      -0.00138  -0.00010   0.00039  -0.00822  -0.00784  -0.00921
   D288      -3.14154  -0.00008   0.00076  -0.00476  -0.00401   3.13764
   D289       3.12836   0.00005  -0.00089   0.00538   0.00450   3.13287
   D290      -0.01180   0.00007  -0.00052   0.00884   0.00833  -0.00347
   D291      -0.00443  -0.00008  -0.00026  -0.00414  -0.00441  -0.00883
   D292       3.13774   0.00003  -0.00032   0.00266   0.00235   3.14009
   D293       3.13573  -0.00010  -0.00063  -0.00761  -0.00825   3.12747
   D294      -0.00529   0.00001  -0.00069  -0.00081  -0.00150  -0.00679
   D295       0.00052   0.00020  -0.00055   0.01780   0.01725   0.01777
   D296      -3.13103   0.00004   0.00057   0.00057   0.00115  -3.12987
   D297       3.14153   0.00009  -0.00049   0.01097   0.01048  -3.13117
   D298       0.00999  -0.00007   0.00063  -0.00625  -0.00562   0.00437
   D299       1.92672   0.01027   0.02164  -0.01253   0.00915   1.93587
   D300      -0.26881   0.00567   0.01370   0.03841   0.05207  -0.21675
   D301      -2.47015   0.00977   0.01962   0.02017   0.03978  -2.43037
   D302       1.38347   0.00400  -0.01042   0.07880   0.06831   1.45178
   D303      -2.77579   0.00217  -0.01139   0.07625   0.06500  -2.71079
   D304      -0.48330  -0.00194  -0.01325   0.07666   0.06334  -0.41996
   D305      -2.52429   0.00242  -0.00789   0.05949   0.05167  -2.47262
   D306      -0.42815   0.00651  -0.00928   0.08779   0.07849  -0.34967
   D307       1.65452   0.00278  -0.00620   0.04819   0.04193   1.69645
   D308       2.84645  -0.00101   0.00587  -0.05405  -0.04817   2.79827
   D309      -1.33364  -0.00177   0.00519  -0.05360  -0.04842  -1.38205
   D310       0.74265  -0.00086   0.00584  -0.05437  -0.04853   0.69412
   D311      -3.01879   0.00247   0.00986  -0.04583  -0.03591  -3.05470
   D312      -0.93479   0.00250   0.00969  -0.04612  -0.03639  -0.97118
   D313       1.19727   0.00255   0.00886  -0.03925  -0.03033   1.16694
   D314       1.18073  -0.00299  -0.00037   0.00414   0.00382   1.18455
   D315      -3.01846  -0.00296  -0.00055   0.00385   0.00334  -3.01512
   D316      -0.88640  -0.00291  -0.00137   0.01073   0.00940  -0.87700
   D317      -1.00576   0.00004   0.00468  -0.01835  -0.01376  -1.01952
   D318       1.07823   0.00007   0.00451  -0.01865  -0.01424   1.06399
   D319      -3.07289   0.00012   0.00369  -0.01177  -0.00818  -3.08107
   D320      -1.01417  -0.00406   0.05263  -0.16244  -0.10903  -1.12320
   D321       1.04775  -0.00116   0.05572  -0.16602  -0.11063   0.93712
   D322      -3.02987  -0.00157   0.05128  -0.13838  -0.08755  -3.11742
   D323      -3.03505  -0.00026   0.01326  -0.05192  -0.03866  -3.07371
   D324      -0.94905  -0.00017   0.01272  -0.04954  -0.03682  -0.98587
   D325       1.15341  -0.00009   0.01250  -0.04494  -0.03244   1.12097
   D326       1.17211  -0.00043   0.01284  -0.05151  -0.03867   1.13344
   D327      -3.02508  -0.00034   0.01230  -0.04912  -0.03683  -3.06191
   D328      -0.92262  -0.00026   0.01207  -0.04452  -0.03245  -0.95507
   D329      -0.95315  -0.00047   0.01313  -0.05296  -0.03983  -0.99298
   D330       1.13284  -0.00038   0.01259  -0.05058  -0.03799   1.09486
   D331      -3.04787  -0.00030   0.01237  -0.04598  -0.03361  -3.08149
         Item               Value     Threshold  Converged?
 Maximum Force            0.014141     0.000450     NO 
 RMS     Force            0.001390     0.000300     NO 
 Maximum Displacement     0.860861     0.001800     NO 
 RMS     Displacement     0.120113     0.001200     NO 
 Predicted change in Energy=-3.750488D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.545357    3.224895    0.000658
      2          6           0       -2.740174    1.847895    0.064209
      3          6           0       -1.652607    0.960216   -0.019307
      4          6           0       -0.350856    1.494454   -0.126121
      5          6           0       -0.164917    2.884303   -0.211212
      6          6           0       -1.247490    3.745164   -0.156833
      7          6           0       -1.823179   -0.497540   -0.086513
      8          6           0       -0.685083   -1.358502   -0.038546
      9          6           0        0.623031   -0.796030    0.216596
     10          6           0        0.814325    0.604915   -0.126760
     11          6           0       -3.089180   -1.071042   -0.271866
     12          6           0       -3.248491   -2.439792   -0.492003
     13          6           0       -2.108656   -3.264607   -0.577206
     14          6           0       -0.860621   -2.728399   -0.347095
     15          7           0        1.730269   -1.574980    0.475035
     16          6           0        3.002913   -1.010950    0.242870
     17          6           0        3.075643    0.294253   -0.326461
     18          7           0        1.980294    1.091048   -0.474243
     19          6           0        4.213814   -1.685945    0.489685
     20          6           0        5.427647   -1.131570    0.126293
     21          6           0        5.496217    0.130722   -0.504794
     22          6           0        4.323025    0.831626   -0.717611
     23          7           0       -3.658263    4.100682    0.088702
     24          7           0       -4.534194   -2.985365   -0.676693
     25          7           0        6.751501    0.673234   -0.867635
     26          6           0       -5.033651   -4.141616   -0.044688
     27          6           0       -6.361915   -4.362957   -0.487072
     28          6           0       -6.683960   -3.301136   -1.421207
     29          6           0       -5.542020   -2.466322   -1.510463
     30          6           0       -3.805382    5.144213    1.014124
     31          6           0       -5.037906    5.802569    0.767157
     32          6           0       -5.661507    5.126511   -0.353761
     33          6           0       -4.784024    4.082258   -0.745000
     34          6           0        7.230024    1.947032   -0.517799
     35          6           0        8.519637    2.120384   -1.082001
     36          6           0        8.829813    0.905019   -1.810218
     37          6           0        7.718166    0.036502   -1.659795
     38          6           0       -7.819444   -3.001893   -2.183220
     39          6           0       -7.797837   -1.891668   -3.025249
     40          6           0       -6.648811   -1.088774   -3.122555
     41          6           0       -5.506778   -1.364970   -2.371276
     42          6           0       -4.434930   -4.962196    0.917148
     43          6           0       -5.178419   -6.036186    1.404742
     44          6           0       -6.485786   -6.287653    0.954743
     45          6           0       -7.086371   -5.449999    0.017824
     46          6           0       -6.856984    5.319268   -1.057654
     47          6           0       -7.159986    4.480143   -2.127077
     48          6           0       -6.272379    3.458616   -2.507541
     49          6           0       -5.072857    3.248200   -1.829330
     50          6           0       -2.961735    5.525640    2.062522
     51          6           0       -3.366554    6.594664    2.859810
     52          6           0       -4.579636    7.266396    2.624489
     53          6           0       -5.419044    6.874728    1.583968
     54          6           0        9.923850    0.492812   -2.580964
     55          6           0        9.894801   -0.760507   -3.188621
     56          6           0        8.779471   -1.602602   -3.038102
     57          6           0        7.676550   -1.217218   -2.277514
     58          6           0        6.635745    2.930186    0.278875
     59          6           0        7.349036    4.109610    0.485935
     60          6           0        8.624291    4.302871   -0.074575
     61          6           0        9.219635    3.310797   -0.849207
     62          8           0        0.184682   -2.911089    2.320575
     63         15           0        1.518036   -2.932226    1.706938
     64          8           0        2.783131   -2.730583    2.620046
     65          8           0        1.765733   -4.287424    0.887073
     66          6           0        2.613625   -2.251993    4.014499
     67          6           0        3.747924   -1.299757    4.316250
     68          6           0        2.958601   -5.008944    0.505877
     69          6           0        2.547611   -6.433108    0.181477
     70          1           0       -3.753610    1.482577    0.192684
     71          1           0        0.845818    3.263740   -0.307846
     72          1           0       -1.108043    4.819668   -0.223991
     73          1           0       -3.976464   -0.451196   -0.253960
     74          1           0       -2.218024   -4.307913   -0.850930
     75          1           0        0.002833   -3.368312   -0.468647
     76          1           0        4.225112   -2.629627    1.007369
     77          1           0        6.346198   -1.667167    0.340754
     78          1           0        4.321224    1.814766   -1.174205
     79          1           0       -8.701411   -3.633173   -2.123733
     80          1           0       -8.673264   -1.647335   -3.619830
     81          1           0       -6.644805   -0.236429   -3.795084
     82          1           0       -4.616366   -0.752370   -2.471507
     83          1           0       -3.435979   -4.767691    1.288185
     84          1           0       -4.735716   -6.685967    2.153965
     85          1           0       -7.035846   -7.134369    1.353875
     86          1           0       -8.106068   -5.629752   -0.310628
     87          1           0       -7.539454    6.113058   -0.770360
     88          1           0       -8.086489    4.617035   -2.676514
     89          1           0       -6.520764    2.823359   -3.353471
     90          1           0       -4.386845    2.463400   -2.133774
     91          1           0       -2.029624    5.004090    2.257559
     92          1           0       -2.730486    6.910233    3.681877
     93          1           0       -4.866702    8.093020    3.266980
     94          1           0       -6.359726    7.389758    1.410347
     95          1           0       10.784908    1.144528   -2.702796
     96          1           0       10.738703   -1.091106   -3.786820
     97          1           0        8.772516   -2.573617   -3.525162
     98          1           0        6.813030   -1.868326   -2.177222
     99          1           0        5.655664    2.785878    0.721642
    100          1           0        6.908330    4.890867    1.097825
    101          1           0        9.151835    5.234402    0.105614
    102          1           0       10.209373    3.457847   -1.272267
    103          1           0        1.631527   -1.778999    4.055759
    104          1           0        2.629816   -3.145988    4.641459
    105          1           0        3.686536   -1.007663    5.369922
    106          1           0        4.724978   -1.761852    4.145365
    107          1           0        3.646669   -0.399724    3.705347
    108          1           0        3.403267   -4.518292   -0.364365
    109          1           0        3.671540   -4.983623    1.336893
    110          1           0        3.438924   -7.027383   -0.044996
    111          1           0        2.032586   -6.885882    1.031786
    112          1           0        1.883277   -6.463452   -0.686673
    113         17           0        0.849980    0.429110    2.724268
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0364254           0.0181042           0.0138716
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10672.3324427240 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.13D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999993    0.001255   -0.001683    0.002938 Ang=   0.41 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47063429     A.U. after   13 cycles
            NFock= 13  Conv=0.62D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000049064    0.000680668    0.000060575
      2        6           0.000023949   -0.001186935   -0.000336254
      3        6          -0.000198763    0.000321991    0.000454109
      4        6          -0.000292797   -0.000036134   -0.001290775
      5        6           0.000160959   -0.001082255   -0.000011184
      6        6          -0.000673720    0.000053948    0.000985281
      7        6           0.000682105   -0.000427812    0.000268021
      8        6          -0.001650302   -0.000959115    0.001133702
      9        6           0.001208414    0.000132070   -0.000220739
     10        6           0.002874581    0.001486631   -0.001042059
     11        6           0.000468577   -0.000140625   -0.000344812
     12        6           0.000308940   -0.000280858    0.000244522
     13        6          -0.001654950    0.000014272    0.000278217
     14        6          -0.000467911    0.001650895    0.000579359
     15        7          -0.001902870   -0.001847855   -0.000124357
     16        6           0.001115726    0.001805187    0.000851064
     17        6           0.001632343   -0.000808111   -0.000301081
     18        7          -0.002705658   -0.000764999    0.000157848
     19        6           0.000582117   -0.001056879   -0.003241238
     20        6           0.000102333    0.001444073   -0.001138190
     21        6           0.000933415   -0.000990437    0.001086770
     22        6          -0.001788364   -0.001156597    0.000299444
     23        7           0.001059978   -0.000066652   -0.000235061
     24        7          -0.000040469   -0.000400659    0.000378440
     25        7          -0.000236804    0.000466736   -0.000553774
     26        6          -0.000358840    0.000449312   -0.000819694
     27        6           0.000025311   -0.000475767    0.000359360
     28        6           0.000120657    0.000422025    0.000430658
     29        6           0.000284528   -0.000412248   -0.000105509
     30        6          -0.000463352    0.000420961   -0.000865651
     31        6           0.000274243   -0.000366524    0.000805196
     32        6           0.000301279    0.000230637   -0.000519992
     33        6           0.000034975    0.000208360    0.000453251
     34        6           0.000173432   -0.000936845   -0.000685873
     35        6           0.000295933   -0.000921310    0.000592350
     36        6          -0.000258248   -0.000187114   -0.000551851
     37        6          -0.000100342    0.000761759    0.000979727
     38        6           0.000832268    0.000866674   -0.000455567
     39        6           0.000111494   -0.000354832    0.000058515
     40        6           0.000078235   -0.001449095    0.001306166
     41        6           0.000399610   -0.000179227   -0.000844035
     42        6          -0.001054279    0.000392424   -0.000862099
     43        6          -0.000492158    0.000282451   -0.000867951
     44        6          -0.000058522    0.000871465    0.000046823
     45        6           0.001003874    0.000412930    0.000119869
     46        6           0.000609456   -0.000964040    0.000284373
     47        6           0.000802717    0.000069821    0.000289259
     48        6           0.000229899    0.000602490   -0.000077075
     49        6          -0.000156538   -0.000300733    0.000375465
     50        6          -0.000172856   -0.000299375   -0.000450898
     51        6          -0.000697193   -0.000055099   -0.000741738
     52        6          -0.000022391   -0.000674451   -0.000719005
     53        6           0.000932502   -0.000117303    0.000337076
     54        6           0.000024048   -0.000349283    0.000329922
     55        6          -0.000368602    0.000148624    0.000659829
     56        6           0.000138378    0.000592240    0.000264850
     57        6          -0.000307978   -0.000062298    0.000223932
     58        6           0.000290906    0.000172234   -0.000604463
     59        6           0.000845149   -0.000707762   -0.000621342
     60        6           0.000161752   -0.000187317    0.000443320
     61        6          -0.001729140   -0.000028091   -0.000385135
     62        8           0.000384669   -0.000761838   -0.001194589
     63       15          -0.007000472   -0.000956286   -0.005376323
     64        8           0.005925086   -0.005211909    0.004673530
     65        8          -0.002638945    0.004649269   -0.002977930
     66        6          -0.001073718    0.000745547   -0.000860891
     67        6          -0.002620171    0.001045316    0.001406425
     68        6           0.002063731    0.000915593    0.002600156
     69        6           0.000640566    0.000104104   -0.000522750
     70        1           0.001629379    0.000553517    0.000491398
     71        1          -0.000605221   -0.000262599   -0.000000959
     72        1           0.000169496   -0.000786573   -0.000116362
     73        1           0.001021060   -0.000202687    0.000046519
     74        1          -0.000047013    0.000292456    0.000368136
     75        1           0.000676995   -0.000153832    0.000905923
     76        1           0.000374241   -0.001210834   -0.001769616
     77        1          -0.000270400    0.000227716    0.000179341
     78        1          -0.000056991   -0.000570104    0.000057506
     79        1          -0.000007619    0.000254706   -0.000004655
     80        1           0.000298548   -0.000166656    0.000267360
     81        1          -0.000078384   -0.000077500   -0.000037400
     82        1          -0.001144910   -0.000671070    0.000108886
     83        1           0.000557593    0.000388975    0.000079684
     84        1          -0.000054973    0.000074370   -0.000251547
     85        1          -0.000042877    0.000165353   -0.000064253
     86        1           0.000196439   -0.000079414   -0.000048303
     87        1          -0.000320081    0.000358928    0.000072002
     88        1           0.000162606    0.000064250    0.000137229
     89        1           0.000063434    0.000064279    0.000441688
     90        1          -0.000768707    0.000813595    0.000122811
     91        1          -0.000979018    0.000176709   -0.000021197
     92        1          -0.000224006   -0.000120407   -0.000179788
     93        1           0.000034716    0.000151345   -0.000132070
     94        1           0.000081341   -0.000074444    0.000123764
     95        1          -0.000369181   -0.000200066   -0.000219595
     96        1          -0.000217442    0.000142187    0.000201869
     97        1          -0.000060837    0.000286092   -0.000002923
     98        1           0.000833788    0.000866455   -0.000212099
     99        1           0.000779645    0.000173888   -0.000084184
    100        1           0.000101155    0.000125187   -0.000126635
    101        1           0.000004760   -0.000024939    0.000118041
    102        1          -0.000153334    0.000060716    0.000187626
    103        1           0.002017840    0.003284113    0.004317768
    104        1           0.000871394   -0.000980279   -0.000149277
    105        1           0.000157798    0.000402232   -0.000126157
    106        1          -0.000381288   -0.000596398   -0.000140122
    107        1           0.000355960   -0.000192418    0.000331131
    108        1           0.000838454    0.000904433   -0.000133072
    109        1          -0.000261053    0.000594413   -0.000288824
    110        1          -0.000306729    0.000069434   -0.000164764
    111        1           0.000161316   -0.000284072    0.000230432
    112        1          -0.000133745    0.000144985    0.000512600
    113       17          -0.001806864    0.000757922    0.001104570
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007000472 RMS     0.001095023

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.012962369 RMS     0.001462664
 Search for a local minimum.
 Step number  15 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   13   15   14
 DE=  3.46D-04 DEPred=-3.75D-03 R=-9.23D-02
 Trust test=-9.23D-02 RLast= 4.60D-01 DXMaxT set to 5.40D-01
 ITU= -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00477   0.00731   0.00942   0.01145   0.01231
     Eigenvalues ---    0.01540   0.01754   0.02107   0.02325   0.02478
     Eigenvalues ---    0.02486   0.02540   0.02556   0.02586   0.02603
     Eigenvalues ---    0.02634   0.02658   0.02677   0.02679   0.02697
     Eigenvalues ---    0.02703   0.02706   0.02710   0.02716   0.02725
     Eigenvalues ---    0.02745   0.02747   0.02775   0.02789   0.02796
     Eigenvalues ---    0.02802   0.02807   0.02812   0.02814   0.02816
     Eigenvalues ---    0.02827   0.02839   0.02850   0.02860   0.02865
     Eigenvalues ---    0.02873   0.02875   0.02881   0.02890   0.02897
     Eigenvalues ---    0.02901   0.02903   0.02904   0.02908   0.02916
     Eigenvalues ---    0.02917   0.02918   0.02921   0.02928   0.02937
     Eigenvalues ---    0.02943   0.02948   0.02950   0.02952   0.02952
     Eigenvalues ---    0.02955   0.02959   0.02963   0.02965   0.02966
     Eigenvalues ---    0.02968   0.02979   0.02986   0.02991   0.02992
     Eigenvalues ---    0.03000   0.03015   0.03020   0.03030   0.03040
     Eigenvalues ---    0.03054   0.03059   0.03063   0.03068   0.03079
     Eigenvalues ---    0.03089   0.03097   0.03110   0.03117   0.03128
     Eigenvalues ---    0.03135   0.03143   0.03160   0.03168   0.03177
     Eigenvalues ---    0.03189   0.03217   0.03233   0.03245   0.03261
     Eigenvalues ---    0.03278   0.03331   0.03592   0.03718   0.05115
     Eigenvalues ---    0.05416   0.05573   0.05732   0.05861   0.05889
     Eigenvalues ---    0.05904   0.06287   0.06633   0.08473   0.11205
     Eigenvalues ---    0.11463   0.11682   0.11947   0.13448   0.13583
     Eigenvalues ---    0.14871   0.15947   0.15958   0.15981   0.15992
     Eigenvalues ---    0.15995   0.15998   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16005
     Eigenvalues ---    0.16008   0.16019   0.16022   0.16073   0.17668
     Eigenvalues ---    0.18949   0.20209   0.21558   0.21880   0.21999
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22009   0.22080
     Eigenvalues ---    0.22343   0.22422   0.22461   0.22568   0.22599
     Eigenvalues ---    0.22599   0.22613   0.22655   0.22681   0.23350
     Eigenvalues ---    0.23444   0.23602   0.23612   0.23805   0.24244
     Eigenvalues ---    0.24309   0.24389   0.24469   0.24479   0.24501
     Eigenvalues ---    0.24541   0.24545   0.24559   0.24585   0.24709
     Eigenvalues ---    0.24890   0.24922   0.24957   0.24969   0.24973
     Eigenvalues ---    0.24976   0.24979   0.24980   0.24986   0.24991
     Eigenvalues ---    0.24997   0.25093   0.25270   0.25829   0.26484
     Eigenvalues ---    0.27137   0.27486   0.28131   0.28291   0.28743
     Eigenvalues ---    0.28846   0.29200   0.29323   0.29608   0.29914
     Eigenvalues ---    0.30074   0.30438   0.30655   0.30724   0.30791
     Eigenvalues ---    0.30919   0.31067   0.31167   0.31273   0.31375
     Eigenvalues ---    0.31386   0.31487   0.31737   0.32138   0.32232
     Eigenvalues ---    0.32573   0.32948   0.33168   0.33509   0.33882
     Eigenvalues ---    0.33956   0.34030   0.34197   0.34500   0.34672
     Eigenvalues ---    0.34875   0.34939   0.35158   0.35492   0.35580
     Eigenvalues ---    0.36386   0.36777   0.37055   0.37141   0.37311
     Eigenvalues ---    0.38923   0.39958   0.41457   0.41495   0.41994
     Eigenvalues ---    0.42173   0.42815   0.43356   0.43551   0.45267
     Eigenvalues ---    0.46233   0.46492   0.47104   0.47109   0.47212
     Eigenvalues ---    0.47751   0.47849   0.48455   0.49917   0.50203
     Eigenvalues ---    0.50430   0.50563   0.50723   0.51691   0.51818
     Eigenvalues ---    0.52093   0.52108   0.52258   0.52661   0.53103
     Eigenvalues ---    0.53191   0.53445   0.53788   0.54294   0.54353
     Eigenvalues ---    0.55011   0.55262   0.55474   0.55636   0.55859
     Eigenvalues ---    0.56015   0.56157   0.56204   0.56470   0.56708
     Eigenvalues ---    0.56931   0.57122   0.57207   0.57266   0.57881
     Eigenvalues ---    0.58235   0.58283   0.58317   0.58438   0.58546
     Eigenvalues ---    0.58632   0.58918   0.58987   0.59428   0.59483
     Eigenvalues ---    0.59806   0.59810   0.60148   0.60676   0.60892
     Eigenvalues ---    0.61817   0.62497   0.63256   0.63593   0.64425
     Eigenvalues ---    0.65271   0.65981   0.66757   0.67814   0.68877
     Eigenvalues ---    0.72098   0.73142   0.73874   0.74617   0.80368
     Eigenvalues ---    0.82696   0.85799   1.42286
 RFO step:  Lambda=-1.67636369D-03 EMin= 4.77025713D-03
 Quartic linear search produced a step of -0.54506.
 Iteration  1 RMS(Cart)=  0.07790432 RMS(Int)=  0.00097535
 Iteration  2 RMS(Cart)=  0.00290442 RMS(Int)=  0.00002610
 Iteration  3 RMS(Cart)=  0.00000437 RMS(Int)=  0.00002607
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002607
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63081   0.00042  -0.00042   0.00111   0.00069   2.63150
    R2        2.65904  -0.00138  -0.00134  -0.00133  -0.00267   2.65637
    R3        2.68136  -0.00067  -0.00172   0.00013  -0.00159   2.67977
    R4        2.65757  -0.00099  -0.00084  -0.00131  -0.00215   2.65542
    R5        2.05017  -0.00162  -0.00273  -0.00112  -0.00385   2.04632
    R6        2.66671  -0.00066  -0.00105  -0.00060  -0.00165   2.66505
    R7        2.77646  -0.00004  -0.00102  -0.00037  -0.00140   2.77506
    R8        2.65471  -0.00170  -0.00193  -0.00129  -0.00322   2.65149
    R9        2.77019  -0.00141  -0.00410   0.00120  -0.00290   2.76729
   R10        2.61575  -0.00082  -0.00148   0.00075  -0.00075   2.61501
   R11        2.04832  -0.00065  -0.00125  -0.00026  -0.00150   2.04682
   R12        2.05148  -0.00078  -0.00147  -0.00069  -0.00216   2.04931
   R13        2.69829  -0.00170  -0.00156  -0.00057  -0.00213   2.69616
   R14        2.64968  -0.00029  -0.00077  -0.00046  -0.00123   2.64845
   R15        2.73367  -0.00063  -0.00319   0.00464   0.00147   2.73513
   R16        2.67424  -0.00211  -0.00269  -0.00094  -0.00363   2.67061
   R17        2.74962  -0.00054  -0.00374   0.00603   0.00229   2.75191
   R18        2.60448  -0.00260  -0.00071   0.00170   0.00103   2.60551
   R19        2.47587  -0.00291   0.00013  -0.00440  -0.00430   2.47157
   R20        2.63704  -0.00001  -0.00068   0.00019  -0.00049   2.63655
   R21        2.04563  -0.00099  -0.00136  -0.00050  -0.00186   2.04377
   R22        2.66364  -0.00166  -0.00136  -0.00230  -0.00366   2.65998
   R23        2.66230  -0.00052  -0.00227   0.00085  -0.00142   2.66088
   R24        2.60348  -0.00022  -0.00096   0.00103   0.00007   2.60355
   R25        2.04874  -0.00039  -0.00125  -0.00002  -0.00128   2.04746
   R26        2.04389   0.00049   0.00067  -0.00041   0.00026   2.04415
   R27        2.66689   0.00180  -0.00180   0.00576   0.00399   2.67089
   R28        3.48691  -0.00157   0.00318  -0.00810  -0.00492   3.48199
   R29        2.69442  -0.00141  -0.00115  -0.00146  -0.00261   2.69181
   R30        2.66097   0.00134   0.00132  -0.00110   0.00022   2.66119
   R31        2.57482   0.00009  -0.00475   0.00548   0.00069   2.57551
   R32        2.67096  -0.00188  -0.00112  -0.00233  -0.00345   2.66751
   R33        2.61355   0.00033  -0.00104   0.00230   0.00127   2.61482
   R34        2.03412   0.00037  -0.00079  -0.00071  -0.00150   2.03262
   R35        2.67004  -0.00175  -0.00053  -0.00386  -0.00438   2.66566
   R36        2.04980  -0.00031  -0.00048  -0.00018  -0.00066   2.04914
   R37        2.61366   0.00006  -0.00140   0.00197   0.00057   2.61423
   R38        2.67362  -0.00002  -0.00115   0.00109  -0.00006   2.67356
   R39        2.04845  -0.00054  -0.00064  -0.00020  -0.00084   2.04761
   R40        2.65034  -0.00078  -0.00095  -0.00066  -0.00161   2.64874
   R41        2.64746  -0.00048  -0.00121  -0.00023  -0.00144   2.64602
   R42        2.66297  -0.00224  -0.00144  -0.00219  -0.00363   2.65934
   R43        2.65928  -0.00021  -0.00103  -0.00054  -0.00157   2.65771
   R44        2.65500  -0.00089  -0.00100  -0.00114  -0.00214   2.65286
   R45        2.65060  -0.00096  -0.00109  -0.00067  -0.00175   2.64884
   R46        2.67847  -0.00145  -0.00220  -0.00057  -0.00277   2.67570
   R47        2.64356  -0.00181  -0.00170  -0.00094  -0.00264   2.64091
   R48        2.74094  -0.00140  -0.00184  -0.00049  -0.00233   2.73861
   R49        2.64657  -0.00134  -0.00193  -0.00065  -0.00257   2.64400
   R50        2.67842  -0.00038  -0.00105   0.00029  -0.00076   2.67766
   R51        2.64530  -0.00095  -0.00174  -0.00011  -0.00185   2.64345
   R52        2.64239  -0.00089  -0.00176   0.00013  -0.00163   2.64076
   R53        2.68151  -0.00122  -0.00178  -0.00058  -0.00236   2.67915
   R54        2.64316  -0.00151  -0.00205  -0.00047  -0.00252   2.64064
   R55        2.74003  -0.00140  -0.00190  -0.00024  -0.00214   2.73789
   R56        2.64695  -0.00085  -0.00134  -0.00025  -0.00158   2.64536
   R57        2.68149  -0.00048  -0.00112   0.00008  -0.00104   2.68045
   R58        2.64682  -0.00110  -0.00157  -0.00053  -0.00211   2.64471
   R59        2.64214  -0.00085  -0.00126  -0.00033  -0.00159   2.64054
   R60        2.68013  -0.00094  -0.00178   0.00007  -0.00170   2.67843
   R61        2.64187  -0.00080  -0.00142  -0.00014  -0.00156   2.64031
   R62        2.74083  -0.00160  -0.00212  -0.00072  -0.00284   2.73799
   R63        2.64647  -0.00062  -0.00121  -0.00023  -0.00144   2.64504
   R64        2.68095  -0.00086  -0.00144  -0.00013  -0.00157   2.67939
   R65        2.64621  -0.00095  -0.00164  -0.00027  -0.00191   2.64431
   R66        2.64232  -0.00096  -0.00125  -0.00042  -0.00167   2.64066
   R67        2.63349  -0.00192  -0.00214  -0.00076  -0.00290   2.63060
   R68        2.05270  -0.00017  -0.00021  -0.00008  -0.00029   2.05241
   R69        2.65530  -0.00121  -0.00179  -0.00036  -0.00215   2.65315
   R70        2.05242  -0.00041  -0.00104  -0.00015  -0.00118   2.05124
   R71        2.63544  -0.00079  -0.00126  -0.00018  -0.00144   2.63400
   R72        2.05173  -0.00003   0.00012  -0.00024  -0.00013   2.05160
   R73        2.05117  -0.00131  -0.00207  -0.00083  -0.00290   2.04827
   R74        2.63478  -0.00071  -0.00090  -0.00012  -0.00102   2.63376
   R75        2.04702   0.00064   0.00003   0.00138   0.00141   2.04843
   R76        2.65568  -0.00082  -0.00131  -0.00018  -0.00150   2.65419
   R77        2.05236  -0.00023  -0.00036  -0.00018  -0.00054   2.05182
   R78        2.63221  -0.00124  -0.00183  -0.00013  -0.00196   2.63025
   R79        2.05172  -0.00015  -0.00031  -0.00006  -0.00036   2.05136
   R80        2.05274  -0.00015  -0.00026  -0.00005  -0.00031   2.05243
   R81        2.63182  -0.00100  -0.00118  -0.00024  -0.00142   2.63040
   R82        2.05138   0.00048   0.00044   0.00051   0.00095   2.05233
   R83        2.65647  -0.00080  -0.00100  -0.00048  -0.00148   2.65500
   R84        2.05192  -0.00020  -0.00031  -0.00021  -0.00052   2.05140
   R85        2.63418  -0.00079  -0.00101  -0.00017  -0.00118   2.63300
   R86        2.05350  -0.00040  -0.00074  -0.00041  -0.00115   2.05235
   R87        2.05208  -0.00109  -0.00165  -0.00091  -0.00256   2.04952
   R88        2.63368  -0.00063  -0.00086  -0.00028  -0.00114   2.63255
   R89        2.05180  -0.00097  -0.00176  -0.00076  -0.00252   2.04928
   R90        2.65785  -0.00108  -0.00142  -0.00016  -0.00158   2.65627
   R91        2.05273  -0.00030  -0.00050  -0.00016  -0.00066   2.05207
   R92        2.63255  -0.00164  -0.00218  -0.00055  -0.00274   2.62982
   R93        2.05147   0.00001   0.00004  -0.00001   0.00003   2.05150
   R94        2.05301  -0.00011  -0.00021  -0.00004  -0.00025   2.05276
   R95        2.63269  -0.00131  -0.00157  -0.00051  -0.00208   2.63061
   R96        2.05364  -0.00038  -0.00093  -0.00015  -0.00108   2.05256
   R97        2.65622  -0.00090  -0.00127  -0.00018  -0.00145   2.65477
   R98        2.05217  -0.00032  -0.00060  -0.00023  -0.00083   2.05134
   R99        2.63442  -0.00056  -0.00064  -0.00030  -0.00094   2.63348
   R100       2.05289  -0.00025  -0.00049  -0.00022  -0.00072   2.05218
   R101       2.05248  -0.00122  -0.00214  -0.00079  -0.00294   2.04954
   R102       2.63391  -0.00045  -0.00104   0.00008  -0.00097   2.63295
   R103       2.05053  -0.00075  -0.00113  -0.00048  -0.00162   2.04891
   R104       2.65760  -0.00134  -0.00167  -0.00056  -0.00223   2.65537
   R105       2.05189  -0.00005   0.00007  -0.00004   0.00003   2.05193
   R106       2.63120  -0.00107  -0.00135  -0.00023  -0.00158   2.62962
   R107       2.05148   0.00000  -0.00022   0.00007  -0.00015   2.05133
   R108       2.05293  -0.00020  -0.00016  -0.00024  -0.00039   2.05254
   R109       2.77399  -0.00080  -0.00127   0.00018  -0.00109   2.77290
   R110       2.97288   0.00847   0.01053   0.00582   0.01635   2.98923
   R111       3.02952  -0.00513  -0.00357   0.00190  -0.00166   3.02785
   R112       2.80437   0.00706   0.01025  -0.00404   0.00620   2.81057
   R113       2.73118   0.00093   0.00173   0.00149   0.00321   2.73440
   R114       2.85620  -0.00093  -0.00095   0.00112   0.00017   2.85637
   R115       2.06140   0.00164   0.00044  -0.00122  -0.00078   2.06062
   R116       2.06367   0.00087   0.00060   0.00067   0.00128   2.06495
   R117       2.06950  -0.00005  -0.00029   0.00010  -0.00019   2.06931
   R118       2.06782  -0.00014   0.00011  -0.00094  -0.00084   2.06698
   R119       2.06449  -0.00041  -0.00050  -0.00049  -0.00100   2.06349
   R120       2.86740  -0.00011   0.00073  -0.00097  -0.00025   2.86715
   R121       2.06646   0.00085   0.00053  -0.00080  -0.00026   2.06619
   R122       2.06967  -0.00035  -0.00068  -0.00034  -0.00102   2.06865
   R123       2.06913  -0.00025  -0.00086   0.00004  -0.00082   2.06832
   R124       2.06429   0.00026   0.00089   0.00005   0.00095   2.06524
   R125       2.06659  -0.00032  -0.00076  -0.00024  -0.00100   2.06559
   R126       5.09155   0.00087   0.02931  -0.00510   0.02421   5.11576
    A1        2.09428  -0.00028  -0.00024  -0.00040  -0.00063   2.09365
    A2        2.09198   0.00126   0.00208   0.00099   0.00307   2.09505
    A3        2.09691  -0.00098  -0.00185  -0.00057  -0.00243   2.09448
    A4        2.10994   0.00013   0.00082   0.00013   0.00095   2.11088
    A5        2.05917   0.00014   0.00004   0.00058   0.00059   2.05975
    A6        2.11400  -0.00027  -0.00091  -0.00081  -0.00175   2.11225
    A7        2.07021  -0.00043  -0.00115   0.00012  -0.00102   2.06920
    A8        2.14029   0.00035  -0.00050   0.00190   0.00138   2.14167
    A9        2.07060   0.00010   0.00149  -0.00179  -0.00029   2.07031
   A10        2.09582   0.00033   0.00060  -0.00012   0.00048   2.09629
   A11        2.09847   0.00054   0.00139   0.00016   0.00155   2.10002
   A12        2.08877  -0.00088  -0.00196  -0.00017  -0.00217   2.08660
   A13        2.10528   0.00024   0.00072   0.00026   0.00099   2.10627
   A14        2.06593  -0.00007  -0.00054   0.00087   0.00033   2.06626
   A15        2.11190  -0.00017  -0.00021  -0.00113  -0.00134   2.11055
   A16        2.08958   0.00001  -0.00045  -0.00018  -0.00062   2.08896
   A17        2.08446   0.00019   0.00091   0.00074   0.00166   2.08612
   A18        2.10909  -0.00020  -0.00043  -0.00058  -0.00100   2.10809
   A19        2.09923  -0.00039  -0.00122   0.00041  -0.00077   2.09846
   A20        2.11378   0.00081   0.00255  -0.00262  -0.00008   2.11369
   A21        2.06858  -0.00041  -0.00116   0.00192   0.00074   2.06932
   A22        2.08545  -0.00002   0.00032   0.00107   0.00145   2.08690
   A23        2.06860   0.00073   0.00135  -0.00176  -0.00043   2.06817
   A24        2.12588  -0.00069  -0.00127  -0.00001  -0.00130   2.12458
   A25        2.03939   0.00094   0.00525  -0.00633  -0.00110   2.03829
   A26        2.14098  -0.00053  -0.00044   0.00017  -0.00034   2.14064
   A27        2.07464  -0.00029  -0.00273   0.00015  -0.00255   2.07209
   A28        2.07105  -0.00096  -0.00030  -0.00103  -0.00120   2.06986
   A29        2.07410  -0.00013  -0.00051  -0.00083  -0.00126   2.07284
   A30        2.13748   0.00109  -0.00006   0.00238   0.00239   2.13987
   A31        2.12365  -0.00001   0.00000   0.00010   0.00010   2.12375
   A32        2.09865  -0.00032  -0.00066  -0.00111  -0.00176   2.09689
   A33        2.06086   0.00034   0.00066   0.00100   0.00168   2.06254
   A34        2.08424  -0.00020   0.00045  -0.00090  -0.00046   2.08378
   A35        2.09984   0.00250   0.00334   0.00323   0.00657   2.10641
   A36        2.09839  -0.00229  -0.00361  -0.00228  -0.00589   2.09250
   A37        2.08829   0.00003  -0.00074   0.00094   0.00020   2.08849
   A38        2.09071  -0.00005   0.00009   0.00007   0.00016   2.09088
   A39        2.10377   0.00003   0.00071  -0.00107  -0.00035   2.10343
   A40        2.12415  -0.00004   0.00003   0.00090   0.00093   2.12509
   A41        2.09233  -0.00040  -0.00200   0.00135  -0.00063   2.09169
   A42        2.06479   0.00045   0.00230  -0.00239  -0.00008   2.06471
   A43        2.05752   0.00014   0.00152   0.00143   0.00291   2.06043
   A44        2.03589  -0.00477  -0.00166   0.00708   0.00524   2.04113
   A45        2.10311   0.00541   0.00333   0.00088   0.00401   2.10712
   A46        2.06865  -0.00074  -0.00151  -0.00123  -0.00263   2.06602
   A47        2.15923   0.00112   0.00141   0.00270   0.00411   2.16334
   A48        2.05435  -0.00048  -0.00106  -0.00151  -0.00255   2.05180
   A49        2.13840   0.00020   0.00018   0.00183   0.00199   2.14039
   A50        2.09850   0.00034  -0.00014   0.00059   0.00045   2.09895
   A51        2.04555  -0.00051   0.00012  -0.00219  -0.00208   2.04347
   A52        2.05972  -0.00036   0.00036   0.00081   0.00112   2.06084
   A53        2.11360  -0.00023   0.00132   0.00152   0.00285   2.11644
   A54        2.11014   0.00057   0.00047  -0.00009   0.00037   2.11051
   A55        2.05847  -0.00033  -0.00193  -0.00160  -0.00354   2.05493
   A56        2.11538   0.00012  -0.00043  -0.00037  -0.00079   2.11459
   A57        2.08673  -0.00006   0.00091  -0.00090   0.00001   2.08674
   A58        2.08099  -0.00005  -0.00046   0.00124   0.00077   2.08176
   A59        2.07180  -0.00038  -0.00086  -0.00136  -0.00222   2.06958
   A60        2.09460   0.00009   0.00017   0.00157   0.00173   2.09632
   A61        2.11626   0.00031   0.00081  -0.00006   0.00073   2.11699
   A62        2.10988   0.00074   0.00182   0.00140   0.00324   2.11311
   A63        2.04871  -0.00049  -0.00149  -0.00037  -0.00186   2.04684
   A64        2.12450  -0.00024  -0.00039  -0.00096  -0.00135   2.12315
   A65        2.19255  -0.00031  -0.00022  -0.00092  -0.00114   2.19141
   A66        2.19594   0.00112   0.00154   0.00140   0.00294   2.19888
   A67        1.89458  -0.00080  -0.00135  -0.00048  -0.00183   1.89275
   A68        2.19248  -0.00258  -0.00397  -0.00372  -0.00769   2.18479
   A69        2.19991   0.00306   0.00490   0.00380   0.00870   2.20860
   A70        1.89076  -0.00047  -0.00094  -0.00002  -0.00097   1.88978
   A71        2.19689   0.00074   0.00127   0.00096   0.00223   2.19912
   A72        2.19227   0.00001   0.00009  -0.00036  -0.00027   2.19200
   A73        1.89385  -0.00075  -0.00141  -0.00048  -0.00189   1.89196
   A74        1.89684   0.00107   0.00137   0.00102   0.00239   1.89923
   A75        2.26266  -0.00131  -0.00137  -0.00170  -0.00307   2.25959
   A76        2.12242   0.00024  -0.00009   0.00076   0.00066   2.12309
   A77        1.87000  -0.00042  -0.00084  -0.00072  -0.00156   1.86844
   A78        2.08684   0.00024   0.00082  -0.00004   0.00079   2.08763
   A79        2.32614   0.00018   0.00001   0.00082   0.00083   2.32698
   A80        1.86801   0.00012   0.00057   0.00007   0.00064   1.86864
   A81        2.32840  -0.00066  -0.00145  -0.00079  -0.00224   2.32616
   A82        2.08673   0.00054   0.00086   0.00070   0.00156   2.08829
   A83        1.89912  -0.00030  -0.00014  -0.00030  -0.00045   1.89867
   A84        2.26167   0.00113   0.00087   0.00147   0.00234   2.26402
   A85        2.12115  -0.00084  -0.00071  -0.00116  -0.00187   2.11928
   A86        1.89809   0.00081   0.00126   0.00082   0.00208   1.90017
   A87        2.25779  -0.00033  -0.00034  -0.00034  -0.00067   2.25712
   A88        2.12685  -0.00049  -0.00104  -0.00045  -0.00148   2.12536
   A89        1.86689  -0.00028  -0.00062  -0.00047  -0.00110   1.86579
   A90        2.08287   0.00054   0.00128   0.00056   0.00184   2.08471
   A91        2.33322  -0.00026  -0.00066  -0.00002  -0.00068   2.33254
   A92        1.86536   0.00014   0.00019   0.00005   0.00025   1.86560
   A93        2.33425  -0.00058  -0.00108  -0.00043  -0.00151   2.33275
   A94        2.08349   0.00044   0.00087   0.00040   0.00127   2.08476
   A95        1.89986   0.00013   0.00052   0.00008   0.00060   1.90046
   A96        2.25927   0.00031  -0.00006   0.00043   0.00038   2.25965
   A97        2.12361  -0.00044  -0.00056  -0.00044  -0.00100   2.12261
   A98        1.89807   0.00038   0.00047   0.00058   0.00105   1.89912
   A99        2.25843   0.00040   0.00098   0.00078   0.00176   2.26018
   A100       2.12618  -0.00078  -0.00153  -0.00134  -0.00286   2.12331
   A101       1.86687   0.00007   0.00056  -0.00032   0.00023   1.86711
   A102       2.08549   0.00022   0.00015   0.00055   0.00070   2.08619
   A103       2.33069  -0.00029  -0.00070  -0.00019  -0.00089   2.32980
   A104       1.86731  -0.00028  -0.00088  -0.00025  -0.00113   1.86618
   A105       2.33243  -0.00033  -0.00100  -0.00025  -0.00125   2.33118
   A106       2.08327   0.00061   0.00185   0.00056   0.00241   2.08568
   A107       1.89863   0.00058   0.00126   0.00050   0.00176   1.90039
   A108       2.26012  -0.00004   0.00013  -0.00004   0.00009   2.26021
   A109       2.12397  -0.00054  -0.00145  -0.00044  -0.00189   2.12208
   A110       2.07904   0.00015   0.00039   0.00023   0.00061   2.07965
   A111       2.09968   0.00008   0.00015   0.00010   0.00025   2.09993
   A112       2.10444  -0.00023  -0.00053  -0.00033  -0.00086   2.10358
   A113       2.10568  -0.00045  -0.00170  -0.00068  -0.00238   2.10330
   A114       2.09152   0.00009   0.00046   0.00017   0.00063   2.09215
   A115       2.08595   0.00036   0.00125   0.00051   0.00177   2.08772
   A116       2.11668   0.00073   0.00220   0.00074   0.00294   2.11962
   A117       2.08805  -0.00047  -0.00144  -0.00058  -0.00202   2.08602
   A118       2.07846  -0.00026  -0.00076  -0.00016  -0.00092   2.07754
   A119       2.05667  -0.00013  -0.00107   0.00019  -0.00088   2.05580
   A120       2.12006   0.00029   0.00094   0.00068   0.00162   2.12168
   A121       2.10626  -0.00015   0.00020  -0.00082  -0.00062   2.10564
   A122       2.05338  -0.00028  -0.00073  -0.00058  -0.00132   2.05206
   A123       2.12336  -0.00011   0.00032  -0.00035  -0.00003   2.12333
   A124       2.10631   0.00039   0.00041   0.00094   0.00134   2.10765
   A125       2.11991   0.00010   0.00071   0.00013   0.00084   2.12075
   A126       2.07687  -0.00007  -0.00041  -0.00034  -0.00075   2.07611
   A127       2.08639  -0.00004  -0.00032   0.00022  -0.00010   2.08629
   A128       2.10470  -0.00017  -0.00051   0.00010  -0.00041   2.10429
   A129       2.08650   0.00019   0.00072   0.00009   0.00082   2.08732
   A130       2.09187  -0.00002  -0.00016  -0.00017  -0.00034   2.09154
   A131       2.07856  -0.00013  -0.00019  -0.00028  -0.00047   2.07810
   A132       2.10020   0.00012   0.00027   0.00020   0.00047   2.10066
   A133       2.10438   0.00001  -0.00008   0.00009   0.00001   2.10439
   A134       2.08137  -0.00020  -0.00063  -0.00020  -0.00082   2.08055
   A135       2.09929   0.00014   0.00044   0.00033   0.00077   2.10006
   A136       2.10253   0.00006   0.00017  -0.00013   0.00004   2.10257
   A137       2.10399   0.00007   0.00030   0.00008   0.00038   2.10438
   A138       2.09235  -0.00012  -0.00052  -0.00031  -0.00083   2.09152
   A139       2.08682   0.00005   0.00023   0.00023   0.00046   2.08728
   A140       2.11924   0.00005  -0.00016   0.00002  -0.00013   2.11910
   A141       2.08424   0.00004   0.00037   0.00020   0.00057   2.08480
   A142       2.07968  -0.00008  -0.00021  -0.00019  -0.00041   2.07927
   A143       2.05449   0.00009   0.00018   0.00016   0.00035   2.05483
   A144       2.11536   0.00011   0.00030   0.00021   0.00051   2.11588
   A145       2.11333  -0.00020  -0.00051  -0.00037  -0.00088   2.11245
   A146       2.05192   0.00003  -0.00009   0.00006  -0.00004   2.05188
   A147       2.11935  -0.00007   0.00019  -0.00024  -0.00005   2.11930
   A148       2.11186   0.00004  -0.00008   0.00017   0.00009   2.11196
   A149       2.11900   0.00028   0.00084   0.00027   0.00111   2.12010
   A150       2.07794  -0.00011  -0.00033   0.00004  -0.00030   2.07765
   A151       2.08623  -0.00018  -0.00051  -0.00030  -0.00082   2.08542
   A152       2.10644  -0.00030  -0.00080  -0.00030  -0.00110   2.10533
   A153       2.08601   0.00019   0.00035   0.00003   0.00038   2.08639
   A154       2.09070   0.00011   0.00045   0.00027   0.00073   2.09143
   A155       2.07923  -0.00008  -0.00024  -0.00015  -0.00038   2.07885
   A156       2.10051   0.00011   0.00007   0.00001   0.00008   2.10058
   A157       2.10344  -0.00003   0.00017   0.00014   0.00031   2.10375
   A158       2.08128  -0.00020  -0.00082  -0.00028  -0.00110   2.08018
   A159       2.09926   0.00018   0.00064   0.00025   0.00088   2.10014
   A160       2.10264   0.00002   0.00018   0.00004   0.00022   2.10286
   A161       2.10458  -0.00006  -0.00012  -0.00014  -0.00025   2.10433
   A162       2.09201  -0.00006  -0.00032   0.00003  -0.00028   2.09173
   A163       2.08659   0.00012   0.00040   0.00010   0.00050   2.08709
   A164       2.11832   0.00014   0.00031   0.00032   0.00063   2.11895
   A165       2.08583  -0.00011  -0.00031  -0.00014  -0.00045   2.08538
   A166       2.07904  -0.00003  -0.00002  -0.00018  -0.00020   2.07884
   A167       2.05482   0.00004   0.00020  -0.00003   0.00017   2.05499
   A168       2.11809   0.00001   0.00044  -0.00001   0.00043   2.11852
   A169       2.11024  -0.00005  -0.00066   0.00004  -0.00062   2.10962
   A170       2.05127   0.00039   0.00097   0.00085   0.00182   2.05309
   A171       2.12111  -0.00010   0.00016  -0.00046  -0.00029   2.12081
   A172       2.11081  -0.00029  -0.00116  -0.00039  -0.00155   2.10926
   A173       2.11897   0.00031   0.00104   0.00020   0.00123   2.12020
   A174       2.07699   0.00002  -0.00005   0.00017   0.00012   2.07711
   A175       2.08721  -0.00034  -0.00099  -0.00035  -0.00134   2.08587
   A176       2.10777  -0.00066  -0.00247  -0.00074  -0.00321   2.10456
   A177       2.08566   0.00027   0.00100   0.00033   0.00133   2.08699
   A178       2.08973   0.00039   0.00149   0.00040   0.00190   2.09162
   A179       2.07648   0.00052   0.00191   0.00052   0.00243   2.07891
   A180       2.10099  -0.00011  -0.00054  -0.00001  -0.00055   2.10045
   A181       2.10570  -0.00041  -0.00138  -0.00050  -0.00188   2.10382
   A182       1.95300   0.00208   0.01259  -0.00183   0.01071   1.96372
   A183       1.77290   0.00867   0.00384   0.01513   0.01892   1.79182
   A184       1.83650  -0.01219  -0.01599  -0.00901  -0.02495   1.81155
   A185       2.07826  -0.00370   0.00572  -0.00142   0.00422   2.08248
   A186       1.94582   0.00526  -0.00654   0.00504  -0.00155   1.94428
   A187       1.85556  -0.00147  -0.00228  -0.00868  -0.01084   1.84472
   A188       2.08849   0.00758   0.01943   0.01584   0.03527   2.12376
   A189       2.32460  -0.01296  -0.01111   0.00335  -0.00777   2.31683
   A190       1.88079  -0.00011  -0.00336   0.00835   0.00488   1.88568
   A191       1.85273   0.00698   0.03146   0.00220   0.03377   1.88650
   A192       1.84810  -0.00292  -0.00853  -0.00443  -0.01281   1.83530
   A193       1.97679  -0.00449  -0.02550  -0.00080  -0.02642   1.95036
   A194       1.97144   0.00149   0.00083  -0.00139  -0.00057   1.97087
   A195       1.92474  -0.00044   0.00777  -0.00354   0.00433   1.92907
   A196       1.89448   0.00071   0.00183   0.00203   0.00386   1.89834
   A197       1.95290  -0.00125  -0.00235  -0.00174  -0.00409   1.94881
   A198       1.91542   0.00059   0.00058   0.00296   0.00354   1.91896
   A199       1.88909   0.00019   0.00041   0.00064   0.00105   1.89013
   A200       1.88924  -0.00044   0.00135  -0.00208  -0.00074   1.88850
   A201       1.92126   0.00022  -0.00166  -0.00182  -0.00347   1.91779
   A202       1.87695   0.00073  -0.00072   0.00090   0.00019   1.87714
   A203       1.89813  -0.00052   0.00019   0.00124   0.00143   1.89956
   A204       1.90244  -0.00039   0.00103  -0.00142  -0.00039   1.90205
   A205       1.94028   0.00037   0.00037  -0.00157  -0.00120   1.93907
   A206       1.93931   0.00031  -0.00030   0.00080   0.00050   1.93982
   A207       1.90579  -0.00052  -0.00053   0.00006  -0.00048   1.90531
   A208       1.91043   0.00021   0.00196   0.00026   0.00223   1.91266
   A209       1.92870   0.00013  -0.00107   0.00182   0.00074   1.92945
   A210       1.93939  -0.00026  -0.00009  -0.00250  -0.00258   1.93681
   A211       1.89635  -0.00013  -0.00128   0.00054  -0.00074   1.89561
   A212       1.89152   0.00007   0.00175   0.00010   0.00185   1.89337
   A213       1.89655  -0.00001  -0.00128  -0.00020  -0.00148   1.89507
   A214       2.21157   0.00977  -0.00120   0.01976   0.01856   2.23013
    D1        0.00641  -0.00006   0.00022   0.00043   0.00065   0.00706
    D2        3.13459  -0.00047  -0.00348  -0.00829  -0.01178   3.12281
    D3       -3.14034   0.00010  -0.00084   0.00346   0.00263  -3.13771
    D4       -0.01216  -0.00031  -0.00453  -0.00526  -0.00980  -0.02196
    D5       -0.03076   0.00008   0.00616  -0.00246   0.00370  -0.02706
    D6        3.12169   0.00003  -0.00146   0.00026  -0.00121   3.12048
    D7        3.11601  -0.00008   0.00720  -0.00550   0.00170   3.11771
    D8       -0.01473  -0.00014  -0.00042  -0.00279  -0.00320  -0.01794
    D9        2.17613   0.00003   0.00068  -0.00402  -0.00335   2.17278
   D10       -0.98348  -0.00005  -0.00166  -0.00390  -0.00557  -0.98905
   D11       -0.97063   0.00019  -0.00037  -0.00099  -0.00136  -0.97199
   D12        2.15295   0.00011  -0.00271  -0.00087  -0.00358   2.14937
   D13        0.03505   0.00003  -0.00644   0.00299  -0.00346   0.03159
   D14       -3.03627  -0.00032  -0.00385  -0.00074  -0.00459  -3.04086
   D15       -3.09270   0.00044  -0.00264   0.01197   0.00932  -3.08338
   D16        0.11916   0.00010  -0.00005   0.00825   0.00819   0.12735
   D17       -0.05267  -0.00003   0.00639  -0.00440   0.00199  -0.05067
   D18        3.07141  -0.00037   0.00818  -0.01379  -0.00562   3.06579
   D19        3.02151   0.00031   0.00382  -0.00068   0.00315   3.02465
   D20       -0.13760  -0.00003   0.00561  -0.01007  -0.00447  -0.14207
   D21       -3.03459   0.00056  -0.01393   0.02519   0.01127  -3.02332
   D22        0.16855   0.00042  -0.01736   0.03083   0.01348   0.18203
   D23        0.17729   0.00023  -0.01122   0.02139   0.01017   0.18746
   D24       -2.90275   0.00010  -0.01466   0.02703   0.01238  -2.89038
   D25        0.02924   0.00007  -0.00010   0.00244   0.00235   0.03159
   D26       -3.12531  -0.00003  -0.00171   0.00204   0.00034  -3.12497
   D27       -3.09493   0.00039  -0.00190   0.01178   0.00987  -3.08507
   D28        0.03370   0.00029  -0.00352   0.01138   0.00786   0.04156
   D29       -0.18507   0.00033   0.00852  -0.00926  -0.00073  -0.18580
   D30        2.92172   0.00027  -0.01006   0.00737  -0.00269   2.91903
   D31        2.93908   0.00000   0.01033  -0.01861  -0.00828   2.93080
   D32       -0.23732  -0.00005  -0.00826  -0.00198  -0.01024  -0.24756
   D33        0.01289  -0.00008  -0.00619   0.00103  -0.00516   0.00772
   D34       -3.13972  -0.00002   0.00154  -0.00172  -0.00018  -3.13989
   D35       -3.11541   0.00003  -0.00453   0.00142  -0.00311  -3.11852
   D36        0.01518   0.00009   0.00320  -0.00132   0.00187   0.01705
   D37        0.11209  -0.00066   0.00220  -0.01257  -0.01038   0.10172
   D38       -2.94446  -0.00093  -0.00336  -0.00339  -0.00675  -2.95120
   D39       -3.08947  -0.00049   0.00567  -0.01822  -0.01256  -3.10203
   D40        0.13716  -0.00076   0.00011  -0.00904  -0.00892   0.12824
   D41        3.01010   0.00060   0.00414   0.00136   0.00549   3.01559
   D42       -0.12381   0.00030  -0.00381   0.00444   0.00062  -0.12319
   D43       -0.07100   0.00046   0.00076   0.00695   0.00771  -0.06329
   D44        3.07827   0.00017  -0.00718   0.01003   0.00284   3.08112
   D45       -0.42979   0.00054   0.01078  -0.00547   0.00529  -0.42449
   D46        2.96780   0.00003   0.00151   0.02137   0.02289   2.99069
   D47        2.62388   0.00089   0.01665  -0.01505   0.00159   2.62546
   D48       -0.26172   0.00038   0.00738   0.01179   0.01919  -0.24253
   D49       -0.09809   0.00044  -0.00055   0.00311   0.00256  -0.09553
   D50        2.97587   0.00080   0.00593   0.00066   0.00660   2.98247
   D51        3.13061   0.00013  -0.00632   0.01246   0.00613   3.13674
   D52       -0.07862   0.00049   0.00016   0.01002   0.01018  -0.06844
   D53        0.46609  -0.00052  -0.01632   0.01625  -0.00005   0.46605
   D54       -2.63936  -0.00043   0.00299  -0.00095   0.00207  -2.63729
   D55       -2.92136  -0.00007  -0.00715  -0.00948  -0.01660  -2.93796
   D56        0.25637   0.00002   0.01217  -0.02667  -0.01448   0.24189
   D57        2.75582   0.00035  -0.00619  -0.00853  -0.01468   2.74114
   D58       -0.81806   0.00355   0.00227   0.01377   0.01609  -0.80198
   D59       -0.12486  -0.00035  -0.01668   0.01973   0.00304  -0.12182
   D60        2.58445   0.00286  -0.00822   0.04203   0.03380   2.61825
   D61        3.01581   0.00045   0.01890  -0.00325   0.01568   3.03150
   D62       -0.16198   0.00034  -0.00044   0.01398   0.01357  -0.14841
   D63       -0.03895   0.00022  -0.00111   0.00110  -0.00001  -0.03897
   D64       -3.13993  -0.00017  -0.00684   0.00006  -0.00677   3.13648
   D65        3.09512   0.00050   0.00667  -0.00192   0.00475   3.09986
   D66       -0.00586   0.00011   0.00095  -0.00296  -0.00201  -0.00788
   D67        0.08118  -0.00052   0.00071  -0.00727  -0.00656   0.07463
   D68       -3.02972  -0.00052  -0.00200  -0.00526  -0.00725  -3.03697
   D69       -3.10099  -0.00002   0.00655  -0.00611   0.00044  -3.10055
   D70        0.07130  -0.00001   0.00384  -0.00410  -0.00026   0.07104
   D71       -2.32513   0.00037   0.00035   0.00703   0.00738  -2.31775
   D72        0.80553   0.00075  -0.00068   0.01567   0.01499   0.82052
   D73        0.85741  -0.00007  -0.00549   0.00596   0.00046   0.85787
   D74       -2.29512   0.00030  -0.00652   0.01459   0.00807  -2.28705
   D75       -0.01185   0.00013   0.00006   0.00517   0.00523  -0.00661
   D76       -3.08683  -0.00019  -0.00618   0.00744   0.00127  -3.08556
   D77        3.09882   0.00013   0.00278   0.00316   0.00594   3.10477
   D78        0.02384  -0.00019  -0.00347   0.00544   0.00198   0.02582
   D79       -0.07091   0.00062   0.01048  -0.00275   0.00772  -0.06319
   D80        3.11886   0.00292   0.03136  -0.00164   0.02972  -3.13460
   D81       -2.76294  -0.00003   0.00294  -0.02753  -0.02456  -2.78750
   D82        0.42684   0.00227   0.02382  -0.02642  -0.00256   0.42428
   D83       -0.07819   0.00462   0.06933   0.00678   0.07608  -0.00212
   D84       -2.31392   0.00212   0.05191  -0.00060   0.05120  -2.26272
   D85        2.03774   0.00444   0.05811   0.00615   0.06432   2.10205
   D86        2.61917   0.00644   0.07752   0.02989   0.10744   2.72661
   D87        0.38345   0.00394   0.06010   0.02252   0.08256   0.46601
   D88       -1.54808   0.00626   0.06630   0.02927   0.09568  -1.45240
   D89        0.17032  -0.00027   0.00150  -0.00977  -0.00828   0.16204
   D90       -3.01341   0.00045   0.00684  -0.00318   0.00365  -3.00976
   D91       -3.01654  -0.00239  -0.01799  -0.01069  -0.02868  -3.04522
   D92        0.08291  -0.00166  -0.01265  -0.00411  -0.01674   0.06617
   D93        3.03456  -0.00057  -0.00115   0.00318   0.00201   3.03657
   D94       -0.15571  -0.00020  -0.00438  -0.00103  -0.00542  -0.16113
   D95       -0.05922   0.00172   0.01959   0.00427   0.02385  -0.03537
   D96        3.03370   0.00208   0.01636   0.00007   0.01642   3.05012
   D97       -0.05042  -0.00033  -0.00668   0.00378  -0.00288  -0.05331
   D98        3.13211  -0.00105  -0.01186  -0.00268  -0.01451   3.11759
   D99       -0.04858   0.00047  -0.00272   0.00186  -0.00086  -0.04945
   D100       3.10837   0.00016   0.00102  -0.00374  -0.00272   3.10565
   D101       3.05306   0.00117   0.00234   0.00819   0.01052   3.06357
   D102      -0.07317   0.00086   0.00608   0.00259   0.00866  -0.06452
   D103       0.00017  -0.00061  -0.01145  -0.00228  -0.01373  -0.01356
   D104       3.12687  -0.00047  -0.01000  -0.00406  -0.01406   3.11281
   D105      -3.09415  -0.00099  -0.00838   0.00177  -0.00662  -3.10077
   D106       0.03254  -0.00085  -0.00693  -0.00002  -0.00695   0.02559
   D107       0.03639  -0.00061  -0.00435  -0.00005  -0.00440   0.03199
   D108      -3.13990   0.00000  -0.00016   0.00487   0.00471  -3.13519
   D109      -3.09036  -0.00075  -0.00581   0.00175  -0.00406  -3.09442
   D110       0.01654  -0.00013  -0.00162   0.00667   0.00505   0.02159
   D111      -0.01169   0.00063   0.01124   0.00018   0.01142  -0.00027
   D112       3.11386   0.00095   0.00733   0.00604   0.01336   3.12723
   D113      -3.11814   0.00001   0.00701  -0.00484   0.00218  -3.11596
   D114       0.00742   0.00033   0.00310   0.00102   0.00412   0.01154
   D115      -2.21643  -0.00018  -0.00588   0.00605   0.00016  -2.21626
   D116       0.94726  -0.00037  -0.00273  -0.00200  -0.00474   0.94252
   D117       0.88957   0.00044  -0.00161   0.01107   0.00947   0.89904
   D118      -2.22993   0.00024   0.00154   0.00302   0.00456  -2.22537
   D119       3.12373   0.00006   0.00085   0.00046   0.00131   3.12504
   D120      -0.05052  -0.00005  -0.00291   0.00185  -0.00105  -0.05158
   D121      -0.00246   0.00011   0.00283   0.00034   0.00317   0.00071
   D122       3.10648  -0.00000  -0.00093   0.00173   0.00080   3.10728
   D123      -3.12340  -0.00002   0.00007  -0.00047  -0.00040  -3.12380
   D124      -0.01399  -0.00007  -0.00337   0.00218  -0.00119  -0.01518
   D125       0.00275  -0.00009  -0.00193  -0.00038  -0.00231   0.00044
   D126       3.11216  -0.00014  -0.00537   0.00227  -0.00310   3.10906
   D127       3.13962   0.00001  -0.00244   0.00211  -0.00037   3.13926
   D128       0.05237   0.00001  -0.00040   0.00033  -0.00010   0.05227
   D129       0.00734  -0.00033  -0.00160  -0.00527  -0.00687   0.00048
   D130      -3.07991  -0.00033   0.00044  -0.00705  -0.00660  -3.08651
   D131       3.14068   0.00003   0.00288  -0.00257   0.00027   3.14095
   D132       0.05302   0.00011   0.00249  -0.00266  -0.00021   0.05281
   D133      -0.01027   0.00033   0.00197   0.00480   0.00677  -0.00350
   D134      -3.09794   0.00041   0.00158   0.00471   0.00629  -3.09165
   D135      -3.13184  -0.00005   0.00271  -0.00479  -0.00208  -3.13392
   D136       0.04435   0.00004   0.00513  -0.00543  -0.00030   0.04404
   D137      -0.00919   0.00012   0.00002   0.00212   0.00213  -0.00706
   D138      -3.11619   0.00021   0.00244   0.00148   0.00391  -3.11228
   D139       3.13072   0.00006  -0.00273   0.00440   0.00166   3.13238
   D140       0.02196   0.00014  -0.00064   0.00374   0.00310   0.02506
   D141       0.00801  -0.00012  -0.00007  -0.00249  -0.00256   0.00545
   D142      -3.10075  -0.00004   0.00202  -0.00315  -0.00113  -3.10188
   D143      -0.00167   0.00020   0.00062   0.00369   0.00431   0.00264
   D144      -3.12476   0.00012   0.00083   0.00076   0.00159  -3.12317
   D145       3.09080   0.00014  -0.00128   0.00521   0.00392   3.09472
   D146      -0.03229   0.00006  -0.00107   0.00228   0.00120  -0.03109
   D147       3.11155  -0.00001  -0.00004  -0.00017  -0.00021   3.11133
   D148      -0.01209  -0.00003   0.00001  -0.00038  -0.00038  -0.01247
   D149       0.03040  -0.00002   0.00220  -0.00214   0.00006   0.03046
   D150      -3.09324  -0.00005   0.00224  -0.00235  -0.00010  -3.09334
   D151      -0.00455  -0.00000   0.00057  -0.00075  -0.00017  -0.00472
   D152       3.12546  -0.00015  -0.00098  -0.00305  -0.00402   3.12143
   D153       3.11494   0.00009   0.00034   0.00273   0.00308   3.11801
   D154      -0.03824  -0.00006  -0.00122   0.00044  -0.00078  -0.03902
   D155       0.00781   0.00002   0.00202  -0.00023   0.00179   0.00960
   D156       3.13876   0.00006   0.00168   0.00152   0.00320  -3.14122
   D157      -3.10950  -0.00008   0.00230  -0.00406  -0.00176  -3.11126
   D158       0.02145  -0.00004   0.00196  -0.00231  -0.00035   0.02111
   D159       0.00912  -0.00020  -0.00156  -0.00247  -0.00404   0.00508
   D160       3.10195  -0.00020  -0.00115  -0.00230  -0.00346   3.09850
   D161      -3.12280  -0.00007  -0.00024  -0.00055  -0.00078  -3.12358
   D162      -0.02996  -0.00007   0.00017  -0.00037  -0.00020  -0.03016
   D163      -3.11912   0.00017  -0.00030   0.00371   0.00342  -3.11570
   D164       0.01330   0.00019   0.00150   0.00306   0.00457   0.01786
   D165       0.00974   0.00001  -0.00201   0.00118  -0.00083   0.00891
   D166      -3.14103   0.00002  -0.00021   0.00053   0.00032  -3.14071
   D167       3.10872   0.00005   0.00352  -0.00036   0.00315   3.11187
   D168      -0.01180  -0.00010  -0.00182  -0.00306  -0.00489  -0.01669
   D169       0.02702   0.00011   0.00306  -0.00050   0.00257   0.02959
   D170      -3.09350  -0.00003  -0.00228  -0.00320  -0.00548  -3.09897
   D171       0.00122  -0.00009  -0.00260  -0.00017  -0.00277  -0.00154
   D172       3.12420   0.00000  -0.00234   0.00265   0.00031   3.12451
   D173      -3.11064   0.00001   0.00081  -0.00144  -0.00062  -3.11127
   D174       0.01234   0.00011   0.00107   0.00138   0.00245   0.01479
   D175      -3.11643  -0.00006   0.00028  -0.00279  -0.00252  -3.11895
   D176       0.01456  -0.00007   0.00178  -0.00392  -0.00214   0.01242
   D177      -0.01125  -0.00016  -0.00387  -0.00122  -0.00509  -0.01634
   D178       3.11974  -0.00017  -0.00237  -0.00235  -0.00472   3.11503
   D179       0.00045   0.00004   0.00140  -0.00006   0.00134   0.00178
   D180      -3.12637  -0.00000   0.00194  -0.00146   0.00047  -3.12590
   D181      -3.11871  -0.00009   0.00106  -0.00347  -0.00240  -3.12111
   D182       0.03766  -0.00013   0.00160  -0.00487  -0.00327   0.03439
   D183      -0.00431   0.00003   0.00269  -0.00054   0.00215  -0.00216
   D184      -3.14031  -0.00003  -0.00079   0.00026  -0.00054  -3.14085
   D185       3.11266   0.00017   0.00304   0.00319   0.00622   3.11888
   D186      -0.02334   0.00010  -0.00045   0.00398   0.00354  -0.01980
   D187      -0.00195   0.00003   0.00031   0.00027   0.00057  -0.00138
   D188      -3.11435   0.00005   0.00342  -0.00216   0.00127  -3.11308
   D189       3.12739   0.00005  -0.00016   0.00142   0.00126   3.12865
   D190       0.01500   0.00008   0.00296  -0.00100   0.00195   0.01695
   D191       3.12640  -0.00014  -0.00660   0.00135  -0.00525   3.12115
   D192      -0.01722   0.00004  -0.00101   0.00209   0.00108  -0.01614
   D193       0.00103  -0.00018  -0.00599  -0.00019  -0.00619  -0.00516
   D194       3.14060  -0.00000  -0.00041   0.00055   0.00014   3.14074
   D195      -3.12592   0.00013   0.00614  -0.00144   0.00471  -3.12121
   D196       0.01528  -0.00007   0.00039  -0.00253  -0.00214   0.01314
   D197      -0.02011   0.00009   0.00233   0.00153   0.00386  -0.01626
   D198       3.12109  -0.00011  -0.00342   0.00043  -0.00299   3.11810
   D199       0.00675  -0.00007   0.00005  -0.00092  -0.00087   0.00587
   D200      -3.11978  -0.00012  -0.00083  -0.00280  -0.00363  -3.12341
   D201       3.11689  -0.00013  -0.00209  -0.00029  -0.00239   3.11450
   D202      -0.00964  -0.00018  -0.00297  -0.00217  -0.00514  -0.01478
   D203       3.12142  -0.00016  -0.00661   0.00068  -0.00593   3.11549
   D204      -0.02066   0.00008   0.00017   0.00120   0.00136  -0.01930
   D205       0.01837  -0.00008  -0.00396  -0.00007  -0.00403   0.01434
   D206      -3.12371   0.00016   0.00282   0.00044   0.00326  -3.12045
   D207      -0.00184   0.00000  -0.00008  -0.00059  -0.00067  -0.00251
   D208       3.11842   0.00010  -0.00166   0.00298   0.00132   3.11974
   D209       3.12166   0.00007   0.00098   0.00167   0.00266   3.12432
   D210      -0.04126   0.00016  -0.00059   0.00525   0.00465  -0.03662
   D211      -0.00870   0.00036   0.00961   0.00337   0.01298   0.00428
   D212       3.13892   0.00004   0.00085   0.00105   0.00191   3.14083
   D213      -3.13041   0.00029   0.00844   0.00089   0.00933  -3.12109
   D214       0.01721  -0.00003  -0.00032  -0.00143  -0.00175   0.01547
   D215      -0.00375   0.00007   0.00009   0.00189   0.00198  -0.00177
   D216       3.10806   0.00001  -0.00177   0.00250   0.00072   3.10878
   D217      -3.12763   0.00000   0.00144  -0.00106   0.00037  -3.12726
   D218      -0.01582  -0.00006  -0.00042  -0.00046  -0.00089  -0.01671
   D219      -3.11367  -0.00010   0.00020  -0.00372  -0.00352  -3.11719
   D220       0.02776  -0.00019  -0.00125  -0.00586  -0.00712   0.02064
   D221       0.00451   0.00000  -0.00157   0.00019  -0.00137   0.00314
   D222      -3.13725  -0.00009  -0.00302  -0.00195  -0.00497   3.14097
   D223       3.12149  -0.00002  -0.00120   0.00103  -0.00017   3.12131
   D224      -0.01176   0.00004   0.00073   0.00124   0.00197  -0.00979
   D225       0.01644   0.00005   0.00107   0.00028   0.00135   0.01779
   D226      -3.11681   0.00011   0.00300   0.00049   0.00349  -3.11332
   D227       0.01213   0.00002   0.00054  -0.00111  -0.00057   0.01156
   D228      -3.13893   0.00003   0.00327  -0.00119   0.00208  -3.13685
   D229      -3.12026  -0.00001  -0.00126  -0.00047  -0.00173  -3.12199
   D230       0.01186   0.00001   0.00146  -0.00054   0.00092   0.01279
   D231      -0.01494   0.00004   0.00285   0.00024   0.00308  -0.01186
   D232       3.12544  -0.00001   0.00382  -0.00130   0.00251   3.12795
   D233       3.13609   0.00003   0.00013   0.00031   0.00045   3.13653
   D234      -0.00671  -0.00002   0.00110  -0.00123  -0.00012  -0.00684
   D235      -0.00468  -0.00011  -0.00458   0.00055  -0.00403  -0.00870
   D236       3.11602   0.00004   0.00072   0.00325   0.00397   3.11998
   D237       3.13812  -0.00006  -0.00554   0.00209  -0.00346   3.13466
   D238      -0.02437   0.00009  -0.00024   0.00478   0.00454  -0.01984
   D239      -0.00496  -0.00011  -0.00441   0.00001  -0.00440  -0.00937
   D240      -3.13896  -0.00006  -0.00225  -0.00100  -0.00325   3.14098
   D241       3.11886  -0.00009  -0.00446   0.00020  -0.00425   3.11460
   D242      -0.01514  -0.00004  -0.00229  -0.00080  -0.00310  -0.01824
   D243      -0.01885   0.00021   0.00554   0.00202   0.00756  -0.01128
   D244       3.13909   0.00005   0.00075   0.00046   0.00121   3.14030
   D245       3.11511   0.00015   0.00337   0.00303   0.00640   3.12151
   D246      -0.01014  -0.00000  -0.00143   0.00147   0.00004  -0.01010
   D247       0.01708  -0.00016  -0.00421  -0.00187  -0.00609   0.01099
   D248      -3.11385  -0.00020  -0.00388  -0.00363  -0.00750  -3.12136
   D249      -3.14091   0.00000   0.00060  -0.00031   0.00029  -3.14062
   D250       0.01135  -0.00004   0.00094  -0.00206  -0.00112   0.01022
   D251      -0.01117   0.00012   0.00382   0.00080   0.00462  -0.00654
   D252       3.13588   0.00010   0.00257   0.00043   0.00300   3.13888
   D253       3.13246  -0.00006  -0.00178   0.00006  -0.00172   3.13074
   D254      -0.00369  -0.00008  -0.00303  -0.00031  -0.00334  -0.00703
   D255       0.00578   0.00005   0.00159  -0.00025   0.00134   0.00712
   D256      -3.12680  -0.00009  -0.00046  -0.00400  -0.00446  -3.13126
   D257      -3.14124   0.00007   0.00284   0.00012   0.00296  -3.13829
   D258       0.00936  -0.00007   0.00079  -0.00363  -0.00284   0.00652
   D259       0.00976  -0.00014  -0.00460  -0.00089  -0.00549   0.00427
   D260      -3.13144   0.00005   0.00114   0.00020   0.00134  -3.13010
   D261      -3.14082  -0.00000  -0.00255   0.00285   0.00029  -3.14053
   D262       0.00116   0.00019   0.00318   0.00394   0.00713   0.00829
   D263       0.00250   0.00009   0.00302   0.00026   0.00328   0.00578
   D264       3.13995   0.00004   0.00197  -0.00039   0.00158   3.14153
   D265      -3.12854   0.00010   0.00152   0.00138   0.00291  -3.12564
   D266       0.00890   0.00005   0.00047   0.00074   0.00121   0.01011
   D267       0.00521   0.00005   0.00067   0.00055   0.00122   0.00642
   D268       3.13767   0.00006   0.00023   0.00153   0.00175   3.13942
   D269      -3.13222   0.00010   0.00172   0.00120   0.00292  -3.12930
   D270       0.00024   0.00011   0.00128   0.00218   0.00346   0.00370
   D271      -0.00419  -0.00011  -0.00355  -0.00040  -0.00395  -0.00814
   D272       3.13180  -0.00005  -0.00007  -0.00120  -0.00126   3.13053
   D273      -3.13663  -0.00012  -0.00311  -0.00137  -0.00449  -3.14112
   D274      -0.00064  -0.00006   0.00037  -0.00217  -0.00180  -0.00244
   D275       0.00542   0.00007   0.00291   0.00023   0.00314   0.00856
   D276      -3.13934  -0.00005  -0.00201  -0.00077  -0.00278   3.14106
   D277      -3.13601   0.00016   0.00436   0.00238   0.00674  -3.12926
   D278       0.00242   0.00005  -0.00056   0.00138   0.00082   0.00324
   D279      -0.00463  -0.00008  -0.00228  -0.00041  -0.00269  -0.00732
   D280       3.13440  -0.00014  -0.00512  -0.00112  -0.00624   3.12816
   D281       3.14013   0.00004   0.00263   0.00058   0.00322  -3.13984
   D282      -0.00403  -0.00003  -0.00021  -0.00012  -0.00034  -0.00437
   D283      -0.00622   0.00001   0.00025   0.00015   0.00039  -0.00583
   D284       3.12706  -0.00005  -0.00167  -0.00006  -0.00173   3.12533
   D285       3.13792   0.00008   0.00308   0.00085   0.00393  -3.14133
   D286      -0.01198   0.00002   0.00117   0.00064   0.00181  -0.01017
   D287      -0.00921   0.00015   0.00427   0.00107   0.00535  -0.00387
   D288       3.13764   0.00010   0.00219  -0.00055   0.00164   3.13928
   D289       3.13287  -0.00009  -0.00246   0.00056  -0.00190   3.13097
   D290      -0.00347  -0.00014  -0.00454  -0.00106  -0.00560  -0.00907
   D291      -0.00883   0.00004   0.00240   0.00016   0.00257  -0.00627
   D292       3.14009  -0.00001  -0.00128   0.00048  -0.00080   3.13929
   D293       3.12747   0.00009   0.00450   0.00179   0.00629   3.13377
   D294      -0.00679   0.00004   0.00082   0.00211   0.00292  -0.00386
   D295       0.01777  -0.00029  -0.00940  -0.00242  -0.01182   0.00595
   D296      -3.12987   0.00002  -0.00063  -0.00009  -0.00072  -3.13059
   D297      -3.13117  -0.00024  -0.00571  -0.00273  -0.00845  -3.13962
   D298       0.00437   0.00008   0.00306  -0.00041   0.00265   0.00702
   D299       1.93587   0.00843  -0.00499  -0.01130  -0.01624   1.91963
   D300      -0.21675   0.00105  -0.02838  -0.02017  -0.04857  -0.26531
   D301      -2.43037  -0.00200  -0.02168  -0.01812  -0.03984  -2.47021
   D302       1.45178   0.00228  -0.03723   0.05418   0.01703   1.46880
   D303      -2.71079   0.00008  -0.03543   0.04912   0.01366  -2.69713
   D304      -0.41996  -0.00201  -0.03452   0.04421   0.00964  -0.41032
   D305      -2.47262   0.00239  -0.02817   0.03497   0.00667  -2.46595
   D306      -0.34967   0.00090  -0.04278   0.03973  -0.00293  -0.35259
   D307       1.69645   0.00229  -0.02285   0.03463   0.01177   1.70823
   D308       2.79827   0.00004   0.02626  -0.04393  -0.01767   2.78060
   D309      -1.38205   0.00061   0.02639  -0.04458  -0.01819  -1.40025
   D310       0.69412  -0.00054   0.02645  -0.04461  -0.01816   0.67596
   D311      -3.05470   0.00295   0.01957  -0.00873   0.01080  -3.04390
   D312      -0.97118   0.00288   0.01983  -0.00768   0.01210  -0.95908
   D313       1.16694   0.00273   0.01653  -0.00910   0.00738   1.17432
   D314       1.18455  -0.00298  -0.00208  -0.01638  -0.01842   1.16613
   D315      -3.01512  -0.00304  -0.00182  -0.01533  -0.01712  -3.03224
   D316      -0.87700  -0.00320  -0.00512  -0.01675  -0.02184  -0.89884
   D317      -1.01952   0.00015   0.00750  -0.00966  -0.00214  -1.02167
   D318       1.06399   0.00009   0.00776  -0.00862  -0.00084   1.06315
   D319      -3.08107  -0.00007   0.00446  -0.01003  -0.00556  -3.08663
   D320      -1.12320  -0.00165   0.05943   0.00914   0.06834  -1.05486
   D321       0.93712   0.00018   0.06030   0.02031   0.08068   1.01780
   D322      -3.11742  -0.00176   0.04772   0.01486   0.06275  -3.05467
   D323      -3.07371  -0.00024   0.02107  -0.03227  -0.01120  -3.08491
   D324      -0.98587  -0.00019   0.02007  -0.03031  -0.01024  -0.99611
   D325       1.12097  -0.00029   0.01768  -0.03101  -0.01332   1.10765
   D326       1.13344  -0.00027   0.02108  -0.03344  -0.01236   1.12108
   D327      -3.06191  -0.00022   0.02007  -0.03148  -0.01140  -3.07331
   D328      -0.95507  -0.00032   0.01769  -0.03217  -0.01448  -0.96955
   D329      -0.99298  -0.00009   0.02171  -0.03298  -0.01127  -1.00425
   D330       1.09486  -0.00004   0.02071  -0.03102  -0.01031   1.08455
   D331      -3.08149  -0.00014   0.01832  -0.03171  -0.01339  -3.09488
         Item               Value     Threshold  Converged?
 Maximum Force            0.012962     0.000450     NO 
 RMS     Force            0.001463     0.000300     NO 
 Maximum Displacement     0.556687     0.001800     NO 
 RMS     Displacement     0.078431     0.001200     NO 
 Predicted change in Energy=-2.097661D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.552842    3.228776    0.004243
      2          6           0       -2.746716    1.851108    0.064062
      3          6           0       -1.659143    0.964456   -0.010698
      4          6           0       -0.358236    1.500048   -0.109134
      5          6           0       -0.173077    2.888401   -0.192197
      6          6           0       -1.255245    3.749355   -0.141376
      7          6           0       -1.826565   -0.493016   -0.075787
      8          6           0       -0.688619   -1.350726   -0.004958
      9          6           0        0.617206   -0.784661    0.258233
     10          6           0        0.808628    0.615388   -0.093734
     11          6           0       -3.087470   -1.068402   -0.283738
     12          6           0       -3.241676   -2.438802   -0.495439
     13          6           0       -2.101304   -3.262262   -0.548413
     14          6           0       -0.857978   -2.721674   -0.303322
     15          7           0        1.727438   -1.561842    0.512008
     16          6           0        3.001596   -0.999481    0.271399
     17          6           0        3.069453    0.306832   -0.292503
     18          7           0        1.972770    1.103105   -0.436511
     19          6           0        4.215033   -1.683171    0.479457
     20          6           0        5.426192   -1.124968    0.110491
     21          6           0        5.488381    0.143750   -0.502937
     22          6           0        4.310880    0.843560   -0.696670
     23          7           0       -3.663860    4.106180    0.086263
     24          7           0       -4.519286   -2.995682   -0.696114
     25          7           0        6.738267    0.690171   -0.878206
     26          6           0       -5.013053   -4.145153   -0.051676
     27          6           0       -6.330769   -4.393269   -0.506524
     28          6           0       -6.650789   -3.356973   -1.467717
     29          6           0       -5.518096   -2.510569   -1.559246
     30          6           0       -3.815134    5.145223    1.014772
     31          6           0       -5.042927    5.808542    0.764709
     32          6           0       -5.658983    5.142669   -0.364976
     33          6           0       -4.782260    4.098516   -0.756189
     34          6           0        7.226091    1.956837   -0.519971
     35          6           0        8.506935    2.134237   -1.100389
     36          6           0        8.803680    0.928605   -1.847149
     37          6           0        7.692811    0.061682   -1.689768
     38          6           0       -7.777310   -3.092923   -2.253858
     39          6           0       -7.758522   -2.004986   -3.122103
     40          6           0       -6.619297   -1.190188   -3.219291
     41          6           0       -5.484385   -1.431921   -2.447049
     42          6           0       -4.415652   -4.937602    0.932282
     43          6           0       -5.150952   -6.012011    1.429731
     44          6           0       -6.449878   -6.287332    0.971791
     45          6           0       -7.047407   -5.478535    0.009451
     46          6           0       -6.847935    5.345058   -1.074971
     47          6           0       -7.142335    4.519351   -2.156197
     48          6           0       -6.255436    3.498914   -2.538350
     49          6           0       -5.065443    3.275095   -1.849019
     50          6           0       -2.979464    5.517527    2.071031
     51          6           0       -3.384916    6.585665    2.868133
     52          6           0       -4.592709    7.263477    2.628085
     53          6           0       -5.426781    6.877405    1.583128
     54          6           0        9.886189    0.525123   -2.636730
     55          6           0        9.847597   -0.721093   -3.255834
     56          6           0        8.732815   -1.561779   -3.100604
     57          6           0        7.641055   -1.183729   -2.321376
     58          6           0        6.650497    2.931964    0.298539
     59          6           0        7.373629    4.103082    0.514957
     60          6           0        8.639315    4.301191   -0.062335
     61          6           0        9.211913    3.320636   -0.866709
     62          8           0        0.156631   -3.030071    2.242784
     63         15           0        1.520718   -2.947932    1.708319
     64          8           0        2.730768   -2.730356    2.703625
     65          8           0        1.892524   -4.250218    0.852115
     66          6           0        2.518337   -2.278304    4.104538
     67          6           0        3.623610   -1.309140    4.456395
     68          6           0        3.151049   -4.887504    0.530042
     69          6           0        2.850872   -6.323383    0.142566
     70          1           0       -3.757402    1.484883    0.194391
     71          1           0        0.837049    3.268711   -0.282639
     72          1           0       -1.114224    4.822593   -0.206998
     73          1           0       -3.973673   -0.448471   -0.285799
     74          1           0       -2.204586   -4.308930   -0.808656
     75          1           0        0.008147   -3.362221   -0.401537
     76          1           0        4.234130   -2.636130    0.977914
     77          1           0        6.346039   -1.664150    0.307966
     78          1           0        4.302327    1.827325   -1.150775
     79          1           0       -8.651722   -3.734118   -2.191749
     80          1           0       -8.627927   -1.786786   -3.734282
     81          1           0       -6.617513   -0.353433   -3.911025
     82          1           0       -4.604703   -0.806609   -2.546944
     83          1           0       -3.423732   -4.721381    1.312227
     84          1           0       -4.708090   -6.642839    2.194481
     85          1           0       -6.994175   -7.133214    1.379966
     86          1           0       -8.058823   -5.680262   -0.331080
     87          1           0       -7.529928    6.139789   -0.787244
     88          1           0       -8.062942    4.665650   -2.712535
     89          1           0       -6.498731    2.871497   -3.390803
     90          1           0       -4.380224    2.492406   -2.155847
     91          1           0       -2.053235    4.990554    2.272019
     92          1           0       -2.753671    6.895160    3.695746
     93          1           0       -4.879122    8.090573    3.270290
     94          1           0       -6.364723    7.395693    1.405274
     95          1           0       10.743831    1.178767   -2.766948
     96          1           0       10.681271   -1.044705   -3.871153
     97          1           0        8.715925   -2.525066   -3.601719
     98          1           0        6.778432   -1.833204   -2.219595
     99          1           0        5.678909    2.785666    0.757000
    100          1           0        6.946384    4.876813    1.145697
    101          1           0        9.174847    5.226596    0.125230
    102          1           0       10.194690    3.470265   -1.304308
    103          1           0        1.535712   -1.809259    4.163622
    104          1           0        2.544428   -3.190208    4.706032
    105          1           0        3.537154   -1.045705    5.515742
    106          1           0        4.612231   -1.746944    4.290998
    107          1           0        3.519036   -0.395238    3.867997
    108          1           0        3.619383   -4.346407   -0.296614
    109          1           0        3.806677   -4.843607    1.405575
    110          1           0        3.787873   -6.854331   -0.052549
    111          1           0        2.321176   -6.835766    0.949575
    112          1           0        2.234943   -6.364558   -0.759499
    113         17           0        0.650257    0.361632    2.810171
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0361188           0.0181014           0.0139051
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10662.8950001906 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.13D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Lowest energy guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999999    0.000747   -0.000527    0.001015 Ang=   0.16 deg.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999997   -0.000473    0.001162   -0.001908 Ang=  -0.26 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47337677     A.U. after   13 cycles
            NFock= 13  Conv=0.51D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053808    0.000456433   -0.000046949
      2        6           0.000299656   -0.000528739    0.000095376
      3        6          -0.000394122    0.000419646    0.000298346
      4        6          -0.000176211   -0.000129047   -0.000283223
      5        6           0.000132625   -0.000146362    0.000154782
      6        6          -0.000238123   -0.000140906    0.000255236
      7        6           0.000502033   -0.000562837    0.000051037
      8        6          -0.001229227   -0.000336839    0.000292349
      9        6           0.000472861    0.000322881    0.001650010
     10        6           0.001231860    0.000461883   -0.001667205
     11        6           0.000032178    0.000046661   -0.000260008
     12        6           0.000511140   -0.000197293    0.000039354
     13        6          -0.000412026    0.000235685   -0.000247800
     14        6          -0.000100338    0.000522280   -0.000268803
     15        7          -0.000875485   -0.000960208    0.001683140
     16        6           0.000216741    0.000784564   -0.000759027
     17        6           0.002363121   -0.001168180   -0.000360411
     18        7          -0.002338359   -0.000184357    0.001466310
     19        6          -0.000878920   -0.000325828    0.000288905
     20        6          -0.000022589    0.000596501   -0.000389707
     21        6           0.000755655   -0.000520033    0.000292939
     22        6          -0.000981705    0.000051679    0.000453047
     23        7           0.000554009   -0.000080433   -0.000025807
     24        7          -0.000487028   -0.000067911    0.000018253
     25        7          -0.000492683    0.000164186   -0.000342089
     26        6          -0.000021051    0.000296059   -0.000006580
     27        6          -0.000045106   -0.000114387   -0.000196579
     28        6          -0.000008982    0.000037333    0.000200789
     29        6           0.000314523   -0.000074194    0.000092686
     30        6          -0.000140260    0.000279994   -0.000226851
     31        6          -0.000038077   -0.000409611    0.000228000
     32        6           0.000191386    0.000153091   -0.000079330
     33        6          -0.000204869   -0.000168983    0.000129305
     34        6           0.000052815   -0.000074108   -0.000112590
     35        6           0.000064964   -0.000249024    0.000154250
     36        6          -0.000348370    0.000171783   -0.000201610
     37        6           0.000240311    0.000005992    0.000311880
     38        6           0.000126535    0.000023954   -0.000189587
     39        6           0.000049399   -0.000062393    0.000122019
     40        6           0.000022086   -0.000153656    0.000233476
     41        6           0.000008526   -0.000110228   -0.000076465
     42        6          -0.000199204   -0.000037689   -0.000078754
     43        6          -0.000030471    0.000119373   -0.000031933
     44        6           0.000043770    0.000009635   -0.000159511
     45        6           0.000109752    0.000058891    0.000099446
     46        6           0.000092346   -0.000136933   -0.000009503
     47        6           0.000088575   -0.000025928    0.000088131
     48        6           0.000021897    0.000110181    0.000046478
     49        6          -0.000062289    0.000085145    0.000065004
     50        6          -0.000065105    0.000100193   -0.000092781
     51        6          -0.000187879    0.000063465   -0.000084699
     52        6           0.000080312   -0.000175560    0.000001701
     53        6           0.000188720    0.000175924   -0.000169445
     54        6           0.000134597   -0.000216962    0.000206978
     55        6          -0.000211649    0.000025399   -0.000014708
     56        6           0.000096156    0.000153112   -0.000003831
     57        6          -0.000003600    0.000006205   -0.000015040
     58        6           0.000053504   -0.000049181    0.000004721
     59        6           0.000077728    0.000012402   -0.000109338
     60        6          -0.000093315   -0.000072228   -0.000056026
     61        6          -0.000105661   -0.000010967    0.000054818
     62        8           0.000697852    0.000652537    0.001107436
     63       15           0.000361612   -0.000451988   -0.000451668
     64        8           0.001859230   -0.001166832    0.000760511
     65        8          -0.000994700    0.003380252   -0.003394217
     66        6          -0.000411165    0.000009684   -0.001175675
     67        6          -0.000719932    0.000039464   -0.000004466
     68        6           0.000588570   -0.000967644    0.002155426
     69        6          -0.000007093   -0.000063085    0.000308874
     70        1           0.000196198   -0.000047054    0.000254630
     71        1          -0.000090404    0.000028755   -0.000014563
     72        1           0.000049389   -0.000014236   -0.000036379
     73        1           0.000080289    0.000100057   -0.000231149
     74        1           0.000050175   -0.000005530    0.000089458
     75        1          -0.000101315   -0.000097412   -0.000286420
     76        1          -0.000057513   -0.000841515    0.000098261
     77        1          -0.000095009   -0.000034181    0.000065218
     78        1           0.000006324   -0.000104146    0.000067940
     79        1          -0.000025050    0.000049644    0.000056940
     80        1           0.000019262   -0.000031811   -0.000021010
     81        1           0.000022838    0.000044565   -0.000148094
     82        1          -0.000061252   -0.000022309    0.000092940
     83        1           0.000052594    0.000025656   -0.000031513
     84        1          -0.000022105   -0.000026571   -0.000002854
     85        1          -0.000021278    0.000024084    0.000028910
     86        1           0.000005240   -0.000008678    0.000026347
     87        1          -0.000080499    0.000088255    0.000050822
     88        1          -0.000000872    0.000012137   -0.000027338
     89        1          -0.000005818   -0.000060221    0.000035268
     90        1          -0.000082456    0.000066714   -0.000039730
     91        1          -0.000096098   -0.000074778    0.000087795
     92        1          -0.000019823   -0.000034415   -0.000003386
     93        1           0.000010375    0.000058957   -0.000056878
     94        1          -0.000018916   -0.000053871    0.000072191
     95        1          -0.000044363    0.000022849   -0.000052159
     96        1           0.000042583   -0.000025726    0.000067989
     97        1           0.000019614   -0.000024021    0.000002192
     98        1           0.000084514    0.000091305   -0.000086211
     99        1           0.000077709    0.000027393    0.000017848
    100        1           0.000037002   -0.000016194    0.000025656
    101        1          -0.000012668    0.000000860   -0.000000204
    102        1           0.000005709    0.000015670   -0.000006574
    103        1           0.000056540    0.000813198    0.000026885
    104        1           0.000311516   -0.000046615    0.000200346
    105        1          -0.000115523    0.000053716   -0.000072275
    106        1           0.000198927   -0.000273386    0.000030865
    107        1          -0.000080732    0.000023545   -0.000035889
    108        1           0.000185454    0.000214298   -0.000129360
    109        1          -0.000163403    0.000415055    0.000037872
    110        1          -0.000039082    0.000112152   -0.000296635
    111        1           0.000273764   -0.000103714    0.000044857
    112        1          -0.000198596   -0.000001366    0.000112915
    113       17          -0.000410885   -0.000233033   -0.001834321
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003394217 RMS     0.000502798

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.011182760 RMS     0.000721667
 Search for a local minimum.
 Step number  16 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   15   14   16
 DE= -2.40D-03 DEPred=-2.10D-03 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 3.35D-01 DXNew= 9.0832D-01 1.0045D+00
 Trust test= 1.14D+00 RLast= 3.35D-01 DXMaxT set to 9.08D-01
 ITU=  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00425   0.00730   0.00898   0.01045   0.01168
     Eigenvalues ---    0.01482   0.01743   0.02043   0.02327   0.02474
     Eigenvalues ---    0.02485   0.02539   0.02553   0.02586   0.02597
     Eigenvalues ---    0.02615   0.02638   0.02667   0.02678   0.02686
     Eigenvalues ---    0.02697   0.02703   0.02710   0.02716   0.02723
     Eigenvalues ---    0.02745   0.02746   0.02772   0.02783   0.02789
     Eigenvalues ---    0.02796   0.02803   0.02812   0.02814   0.02816
     Eigenvalues ---    0.02826   0.02830   0.02848   0.02858   0.02866
     Eigenvalues ---    0.02872   0.02875   0.02882   0.02890   0.02898
     Eigenvalues ---    0.02901   0.02903   0.02904   0.02908   0.02915
     Eigenvalues ---    0.02917   0.02918   0.02921   0.02928   0.02936
     Eigenvalues ---    0.02944   0.02948   0.02949   0.02951   0.02952
     Eigenvalues ---    0.02955   0.02956   0.02963   0.02964   0.02966
     Eigenvalues ---    0.02967   0.02978   0.02986   0.02990   0.02992
     Eigenvalues ---    0.02999   0.03013   0.03020   0.03030   0.03036
     Eigenvalues ---    0.03053   0.03059   0.03063   0.03069   0.03080
     Eigenvalues ---    0.03086   0.03097   0.03107   0.03116   0.03123
     Eigenvalues ---    0.03136   0.03143   0.03155   0.03167   0.03177
     Eigenvalues ---    0.03186   0.03213   0.03231   0.03244   0.03260
     Eigenvalues ---    0.03278   0.03334   0.03584   0.03758   0.05253
     Eigenvalues ---    0.05498   0.05597   0.05745   0.05867   0.05889
     Eigenvalues ---    0.05904   0.06254   0.06585   0.08431   0.11190
     Eigenvalues ---    0.11436   0.11916   0.12290   0.13554   0.13712
     Eigenvalues ---    0.14940   0.15945   0.15953   0.15982   0.15990
     Eigenvalues ---    0.15995   0.15995   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16005
     Eigenvalues ---    0.16009   0.16010   0.16021   0.16073   0.17666
     Eigenvalues ---    0.19249   0.20533   0.21593   0.21863   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22008   0.22072
     Eigenvalues ---    0.22334   0.22420   0.22462   0.22563   0.22599
     Eigenvalues ---    0.22602   0.22612   0.22641   0.22669   0.23354
     Eigenvalues ---    0.23443   0.23605   0.23621   0.23798   0.24256
     Eigenvalues ---    0.24381   0.24404   0.24470   0.24484   0.24498
     Eigenvalues ---    0.24538   0.24547   0.24556   0.24582   0.24707
     Eigenvalues ---    0.24885   0.24918   0.24956   0.24968   0.24975
     Eigenvalues ---    0.24976   0.24981   0.24982   0.24990   0.24992
     Eigenvalues ---    0.25004   0.25189   0.25406   0.25824   0.26467
     Eigenvalues ---    0.26834   0.27253   0.28192   0.28280   0.28745
     Eigenvalues ---    0.28846   0.29201   0.29325   0.29622   0.30012
     Eigenvalues ---    0.30115   0.30439   0.30655   0.30742   0.30794
     Eigenvalues ---    0.30920   0.31067   0.31172   0.31276   0.31380
     Eigenvalues ---    0.31387   0.31487   0.31749   0.32138   0.32232
     Eigenvalues ---    0.32627   0.33086   0.33173   0.33515   0.33882
     Eigenvalues ---    0.33962   0.34037   0.34282   0.34500   0.34672
     Eigenvalues ---    0.34906   0.34940   0.35159   0.35490   0.35582
     Eigenvalues ---    0.36386   0.36777   0.36864   0.37141   0.37310
     Eigenvalues ---    0.38952   0.39964   0.41149   0.41468   0.41570
     Eigenvalues ---    0.42052   0.42726   0.43379   0.43802   0.45236
     Eigenvalues ---    0.45739   0.46416   0.47096   0.47104   0.47189
     Eigenvalues ---    0.47705   0.47829   0.48429   0.49953   0.50210
     Eigenvalues ---    0.50444   0.50563   0.50662   0.51640   0.51782
     Eigenvalues ---    0.52050   0.52103   0.52258   0.52638   0.53103
     Eigenvalues ---    0.53179   0.53444   0.53787   0.54291   0.54337
     Eigenvalues ---    0.55005   0.55253   0.55495   0.55632   0.55859
     Eigenvalues ---    0.56018   0.56167   0.56206   0.56469   0.56706
     Eigenvalues ---    0.56929   0.57122   0.57208   0.57299   0.57902
     Eigenvalues ---    0.58235   0.58282   0.58319   0.58442   0.58547
     Eigenvalues ---    0.58632   0.58919   0.58982   0.59475   0.59519
     Eigenvalues ---    0.59807   0.59812   0.60179   0.60669   0.60894
     Eigenvalues ---    0.61816   0.62499   0.63256   0.63587   0.64419
     Eigenvalues ---    0.65272   0.65978   0.66759   0.67811   0.68875
     Eigenvalues ---    0.72095   0.73217   0.74609   0.75403   0.80355
     Eigenvalues ---    0.82701   0.85668   1.89763
 RFO step:  Lambda=-1.36969392D-03 EMin= 4.24962009D-03
 Quartic linear search produced a step of  0.06626.
 Iteration  1 RMS(Cart)=  0.09414998 RMS(Int)=  0.00071176
 Iteration  2 RMS(Cart)=  0.00294449 RMS(Int)=  0.00003809
 Iteration  3 RMS(Cart)=  0.00000330 RMS(Int)=  0.00003807
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003807
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63150   0.00030   0.00010   0.00090   0.00101   2.63250
    R2        2.65637  -0.00029  -0.00001  -0.00146  -0.00145   2.65492
    R3        2.67977  -0.00020   0.00010   0.00075   0.00085   2.68062
    R4        2.65542  -0.00045  -0.00004  -0.00162  -0.00168   2.65374
    R5        2.04632  -0.00011   0.00008  -0.00025  -0.00017   2.04614
    R6        2.66505  -0.00013   0.00002  -0.00011  -0.00019   2.66487
    R7        2.77506  -0.00001   0.00003  -0.00005  -0.00008   2.77498
    R8        2.65149  -0.00014   0.00002  -0.00181  -0.00180   2.64969
    R9        2.76729  -0.00005   0.00031   0.00150   0.00181   2.76910
   R10        2.61501  -0.00005   0.00013   0.00109   0.00124   2.61625
   R11        2.04682  -0.00006   0.00005  -0.00016  -0.00011   2.04671
   R12        2.04931  -0.00001   0.00004   0.00006   0.00009   2.04941
   R13        2.69616  -0.00060   0.00005  -0.00260  -0.00257   2.69359
   R14        2.64845  -0.00011   0.00001  -0.00050  -0.00050   2.64794
   R15        2.73513   0.00103   0.00048   0.00543   0.00598   2.74111
   R16        2.67061  -0.00017   0.00009  -0.00194  -0.00186   2.66875
   R17        2.75191   0.00002   0.00061   0.00655   0.00725   2.75917
   R18        2.60551  -0.00028   0.00015  -0.00141  -0.00121   2.60430
   R19        2.47157  -0.00102  -0.00030  -0.00510  -0.00541   2.46616
   R20        2.63655  -0.00009   0.00005   0.00008   0.00013   2.63668
   R21        2.04377  -0.00004   0.00004  -0.00004   0.00000   2.04377
   R22        2.65998  -0.00050  -0.00008  -0.00244  -0.00250   2.65748
   R23        2.66088   0.00013   0.00018   0.00189   0.00207   2.66295
   R24        2.60355   0.00001   0.00012   0.00181   0.00195   2.60549
   R25        2.04746  -0.00002   0.00007   0.00017   0.00024   2.04770
   R26        2.04415   0.00001  -0.00006   0.00066   0.00059   2.04475
   R27        2.67089  -0.00131   0.00048   0.00282   0.00331   2.67419
   R28        3.48199  -0.00349  -0.00071  -0.01350  -0.01422   3.46777
   R29        2.69181  -0.00157  -0.00003  -0.00338  -0.00345   2.68836
   R30        2.66119  -0.00066  -0.00015  -0.00212  -0.00226   2.65893
   R31        2.57551   0.00154   0.00062   0.00718   0.00776   2.58327
   R32        2.66751  -0.00084  -0.00009  -0.00305  -0.00314   2.66437
   R33        2.61482   0.00018   0.00021   0.00223   0.00245   2.61727
   R34        2.03262   0.00079  -0.00000   0.00110   0.00110   2.03373
   R35        2.66566  -0.00018  -0.00023  -0.00334  -0.00357   2.66209
   R36        2.04914  -0.00006   0.00001  -0.00019  -0.00017   2.04897
   R37        2.61423   0.00056   0.00021   0.00236   0.00256   2.61680
   R38        2.67356  -0.00024   0.00014   0.00184   0.00198   2.67554
   R39        2.04761  -0.00012   0.00002  -0.00016  -0.00014   2.04747
   R40        2.64874   0.00007   0.00001  -0.00105  -0.00104   2.64769
   R41        2.64602   0.00015   0.00005  -0.00114  -0.00109   2.64493
   R42        2.65934  -0.00027  -0.00007  -0.00226  -0.00233   2.65702
   R43        2.65771  -0.00042   0.00002  -0.00193  -0.00190   2.65580
   R44        2.65286  -0.00014  -0.00002  -0.00230  -0.00231   2.65055
   R45        2.64884   0.00003   0.00002  -0.00128  -0.00126   2.64758
   R46        2.67570  -0.00007   0.00008   0.00025   0.00034   2.67604
   R47        2.64091  -0.00018   0.00003  -0.00056  -0.00053   2.64039
   R48        2.73861  -0.00024   0.00007  -0.00060  -0.00053   2.73808
   R49        2.64400  -0.00011   0.00006  -0.00040  -0.00034   2.64366
   R50        2.67766  -0.00005   0.00008   0.00011   0.00018   2.67785
   R51        2.64345  -0.00011   0.00009   0.00004   0.00013   2.64358
   R52        2.64076  -0.00019   0.00011  -0.00019  -0.00008   2.64068
   R53        2.67915  -0.00023   0.00006  -0.00041  -0.00035   2.67880
   R54        2.64064  -0.00011   0.00008  -0.00032  -0.00024   2.64040
   R55        2.73789  -0.00031   0.00009  -0.00035  -0.00026   2.73763
   R56        2.64536  -0.00009   0.00006  -0.00015  -0.00009   2.64527
   R57        2.68045  -0.00008   0.00007   0.00025   0.00032   2.68076
   R58        2.64471  -0.00010   0.00005  -0.00045  -0.00039   2.64432
   R59        2.64054  -0.00010   0.00005  -0.00039  -0.00034   2.64020
   R60        2.67843  -0.00017   0.00010   0.00026   0.00036   2.67879
   R61        2.64031  -0.00006   0.00007  -0.00018  -0.00011   2.64020
   R62        2.73799  -0.00027   0.00007  -0.00077  -0.00070   2.73728
   R63        2.64504  -0.00007   0.00005  -0.00016  -0.00011   2.64493
   R64        2.67939  -0.00016   0.00007   0.00012   0.00019   2.67957
   R65        2.64431  -0.00006   0.00007  -0.00011  -0.00004   2.64427
   R66        2.64066  -0.00001   0.00004  -0.00004  -0.00000   2.64066
   R67        2.63060  -0.00020   0.00007  -0.00074  -0.00067   2.62992
   R68        2.05241  -0.00001   0.00001  -0.00003  -0.00002   2.05239
   R69        2.65315  -0.00007   0.00008   0.00010   0.00018   2.65332
   R70        2.05124  -0.00001   0.00005   0.00011   0.00016   2.05140
   R71        2.63400  -0.00011   0.00006  -0.00035  -0.00029   2.63371
   R72        2.05160   0.00012  -0.00002   0.00052   0.00050   2.05210
   R73        2.04827  -0.00007   0.00006  -0.00024  -0.00018   2.04809
   R74        2.63376  -0.00009   0.00004  -0.00016  -0.00012   2.63364
   R75        2.04843   0.00004   0.00009   0.00097   0.00106   2.04949
   R76        2.65419  -0.00009   0.00006  -0.00017  -0.00011   2.65408
   R77        2.05182   0.00000   0.00001   0.00002   0.00003   2.05185
   R78        2.63025  -0.00016   0.00009  -0.00027  -0.00018   2.63007
   R79        2.05136  -0.00000   0.00001   0.00004   0.00005   2.05141
   R80        2.05243  -0.00001   0.00001  -0.00001   0.00000   2.05244
   R81        2.63040  -0.00014   0.00005  -0.00011  -0.00006   2.63034
   R82        2.05233   0.00013   0.00001   0.00088   0.00089   2.05322
   R83        2.65500  -0.00012   0.00002  -0.00036  -0.00033   2.65466
   R84        2.05140   0.00001   0.00000   0.00004   0.00005   2.05145
   R85        2.63300  -0.00009   0.00004  -0.00033  -0.00029   2.63272
   R86        2.05235   0.00001   0.00001   0.00000   0.00001   2.05237
   R87        2.04952  -0.00009   0.00003  -0.00034  -0.00031   2.04921
   R88        2.63255  -0.00005   0.00003  -0.00030  -0.00027   2.63228
   R89        2.04928  -0.00005   0.00005  -0.00013  -0.00008   2.04920
   R90        2.65627  -0.00025   0.00007  -0.00009  -0.00002   2.65625
   R91        2.05207  -0.00002   0.00002  -0.00003  -0.00002   2.05206
   R92        2.62982  -0.00019   0.00008  -0.00046  -0.00038   2.62944
   R93        2.05150   0.00000  -0.00000   0.00000  -0.00000   2.05150
   R94        2.05276  -0.00001   0.00001  -0.00001  -0.00000   2.05276
   R95        2.63061  -0.00016   0.00005  -0.00058  -0.00053   2.63009
   R96        2.05256  -0.00001   0.00004   0.00013   0.00017   2.05273
   R97        2.65477  -0.00022   0.00006  -0.00001   0.00005   2.65482
   R98        2.05134  -0.00000   0.00002  -0.00000   0.00002   2.05135
   R99        2.63348  -0.00003   0.00002  -0.00030  -0.00028   2.63320
   R100       2.05218   0.00002   0.00001   0.00009   0.00010   2.05228
   R101       2.04954  -0.00013   0.00007  -0.00047  -0.00040   2.04914
   R102       2.63295  -0.00005   0.00006  -0.00001   0.00006   2.63300
   R103       2.04891  -0.00007   0.00003  -0.00023  -0.00020   2.04871
   R104       2.65537  -0.00018   0.00006  -0.00047  -0.00041   2.65496
   R105       2.05193  -0.00001  -0.00001  -0.00002  -0.00003   2.05190
   R106       2.62962  -0.00014   0.00006  -0.00017  -0.00011   2.62952
   R107       2.05133  -0.00000   0.00002   0.00005   0.00007   2.05140
   R108       2.05254   0.00001  -0.00001   0.00001   0.00000   2.05254
   R109       2.77290  -0.00030   0.00008  -0.00012  -0.00004   2.77286
   R110       2.98923  -0.00088  -0.00020   0.00670   0.00650   2.99573
   R111       3.02785  -0.00167   0.00032  -0.00501  -0.00469   3.02317
   R112       2.81057  -0.00252  -0.00083  -0.00263  -0.00347   2.80711
   R113       2.73440   0.00007   0.00000   0.00079   0.00079   2.73519
   R114       2.85637  -0.00061   0.00013  -0.00136  -0.00123   2.85514
   R115       2.06062   0.00030  -0.00010   0.00212   0.00201   2.06264
   R116       2.06495   0.00019   0.00001   0.00075   0.00076   2.06571
   R117       2.06931  -0.00006   0.00002  -0.00027  -0.00025   2.06906
   R118       2.06698   0.00026  -0.00007   0.00078   0.00071   2.06770
   R119       2.06349   0.00005  -0.00000  -0.00000  -0.00001   2.06349
   R120       2.86715   0.00000  -0.00010  -0.00113  -0.00124   2.86591
   R121       2.06619   0.00028  -0.00008   0.00007  -0.00002   2.06617
   R122       2.06865  -0.00005   0.00002  -0.00020  -0.00018   2.06847
   R123       2.06832  -0.00000   0.00005   0.00014   0.00019   2.06851
   R124       2.06524  -0.00002  -0.00005   0.00003  -0.00001   2.06522
   R125       2.06559   0.00003   0.00003   0.00019   0.00022   2.06580
   R126       5.11576   0.00081  -0.00196   0.00671   0.00475   5.12051
    A1        2.09365  -0.00010  -0.00001  -0.00024  -0.00025   2.09340
    A2        2.09505   0.00023  -0.00005   0.00102   0.00097   2.09602
    A3        2.09448  -0.00013   0.00006  -0.00078  -0.00071   2.09377
    A4        2.11088   0.00002  -0.00004  -0.00036  -0.00046   2.11042
    A5        2.05975   0.00011   0.00003   0.00101   0.00106   2.06081
    A6        2.11225  -0.00012  -0.00000  -0.00082  -0.00081   2.11145
    A7        2.06920   0.00007   0.00007   0.00029   0.00040   2.06960
    A8        2.14167  -0.00003   0.00015   0.00229   0.00264   2.14431
    A9        2.07031  -0.00004  -0.00020  -0.00252  -0.00297   2.06734
   A10        2.09629  -0.00004  -0.00004   0.00009   0.00005   2.09634
   A11        2.10002   0.00026  -0.00007  -0.00092  -0.00117   2.09885
   A12        2.08660  -0.00022   0.00010   0.00060   0.00083   2.08743
   A13        2.10627   0.00002  -0.00002  -0.00049  -0.00055   2.10572
   A14        2.06626   0.00006   0.00009   0.00136   0.00146   2.06773
   A15        2.11055  -0.00008  -0.00006  -0.00091  -0.00095   2.10960
   A16        2.08896   0.00003   0.00001   0.00020   0.00021   2.08917
   A17        2.08612   0.00004  -0.00000   0.00051   0.00050   2.08662
   A18        2.10809  -0.00007  -0.00001  -0.00075  -0.00077   2.10732
   A19        2.09846   0.00008   0.00010  -0.00085  -0.00096   2.09750
   A20        2.11369  -0.00029  -0.00032  -0.00073  -0.00092   2.11277
   A21        2.06932   0.00020   0.00019   0.00112   0.00135   2.07067
   A22        2.08690  -0.00015   0.00006  -0.00084  -0.00089   2.08601
   A23        2.06817  -0.00021  -0.00019   0.00052   0.00028   2.06845
   A24        2.12458   0.00034   0.00007  -0.00090  -0.00080   2.12378
   A25        2.03829  -0.00006  -0.00071  -0.00837  -0.00952   2.02877
   A26        2.14064   0.00130   0.00003  -0.00282  -0.00329   2.13735
   A27        2.07209  -0.00121   0.00016  -0.00067  -0.00084   2.07125
   A28        2.06986  -0.00034  -0.00004  -0.00517  -0.00537   2.06449
   A29        2.07284   0.00008  -0.00002   0.00379   0.00370   2.07654
   A30        2.13987   0.00028   0.00017   0.00193   0.00213   2.14201
   A31        2.12375  -0.00001   0.00001  -0.00018  -0.00023   2.12352
   A32        2.09689  -0.00008  -0.00004  -0.00076  -0.00079   2.09610
   A33        2.06254   0.00009   0.00003   0.00093   0.00096   2.06350
   A34        2.08378  -0.00013  -0.00009  -0.00033  -0.00042   2.08336
   A35        2.10641   0.00010   0.00003   0.00049   0.00052   2.10694
   A36        2.09250   0.00003   0.00005  -0.00028  -0.00023   2.09228
   A37        2.08849   0.00003   0.00010   0.00062   0.00073   2.08922
   A38        2.09088   0.00004   0.00000   0.00042   0.00042   2.09129
   A39        2.10343  -0.00007  -0.00011  -0.00113  -0.00125   2.10218
   A40        2.12509   0.00011   0.00006  -0.00048  -0.00044   2.12465
   A41        2.09169   0.00015   0.00020   0.00310   0.00331   2.09500
   A42        2.06471  -0.00027  -0.00028  -0.00293  -0.00321   2.06150
   A43        2.06043   0.00116   0.00001   0.00231   0.00235   2.06278
   A44        2.04113   0.00063   0.00055   0.00685   0.00732   2.04845
   A45        2.10712  -0.00217  -0.00014  -0.00314  -0.00338   2.10373
   A46        2.06602   0.00027   0.00001  -0.00013  -0.00012   2.06590
   A47        2.16334  -0.00123   0.00010  -0.00173  -0.00164   2.16170
   A48        2.05180   0.00097  -0.00004   0.00199   0.00194   2.05374
   A49        2.14039  -0.00087   0.00011  -0.00027  -0.00021   2.14018
   A50        2.09895   0.00002   0.00005  -0.00071  -0.00065   2.09830
   A51        2.04347   0.00085  -0.00015   0.00098   0.00085   2.04432
   A52        2.06084   0.00034   0.00003   0.00080   0.00080   2.06164
   A53        2.11644  -0.00066   0.00003  -0.00075  -0.00072   2.11572
   A54        2.11051   0.00018  -0.00003   0.00019   0.00015   2.11066
   A55        2.05493   0.00048   0.00000   0.00037   0.00037   2.05529
   A56        2.11459  -0.00006   0.00000  -0.00103  -0.00103   2.11356
   A57        2.08674  -0.00007  -0.00011  -0.00078  -0.00089   2.08585
   A58        2.08176   0.00012   0.00011   0.00179   0.00190   2.08366
   A59        2.06958  -0.00002  -0.00004   0.00018   0.00014   2.06972
   A60        2.09632   0.00012   0.00009   0.00099   0.00109   2.09741
   A61        2.11699  -0.00010  -0.00005  -0.00113  -0.00118   2.11581
   A62        2.11311  -0.00024  -0.00001   0.00029   0.00028   2.11339
   A63        2.04684   0.00011   0.00006   0.00117   0.00123   2.04807
   A64        2.12315   0.00013  -0.00004  -0.00144  -0.00148   2.12167
   A65        2.19141   0.00004  -0.00005  -0.00096  -0.00101   2.19040
   A66        2.19888   0.00017   0.00001   0.00142   0.00143   2.20032
   A67        1.89275  -0.00021   0.00004  -0.00044  -0.00040   1.89235
   A68        2.18479   0.00007  -0.00003  -0.00006  -0.00010   2.18469
   A69        2.20860  -0.00005  -0.00002  -0.00003  -0.00006   2.20854
   A70        1.88978  -0.00002   0.00005   0.00011   0.00015   1.88994
   A71        2.19912  -0.00010  -0.00001   0.00007   0.00004   2.19916
   A72        2.19200   0.00019  -0.00003  -0.00001  -0.00006   2.19195
   A73        1.89196  -0.00009   0.00005   0.00007   0.00011   1.89207
   A74        1.89923   0.00009  -0.00001   0.00064   0.00063   1.89986
   A75        2.25959  -0.00004  -0.00004  -0.00010  -0.00014   2.25944
   A76        2.12309  -0.00004   0.00006  -0.00035  -0.00030   2.12279
   A77        1.86844  -0.00011  -0.00000  -0.00077  -0.00077   1.86766
   A78        2.08763   0.00003  -0.00005   0.00021   0.00016   2.08779
   A79        2.32698   0.00008   0.00005   0.00062   0.00067   2.32765
   A80        1.86864  -0.00001  -0.00003  -0.00030  -0.00032   1.86832
   A81        2.32616  -0.00001   0.00003   0.00020   0.00023   2.32638
   A82        2.08829   0.00003  -0.00000   0.00008   0.00008   2.08837
   A83        1.89867   0.00006  -0.00001   0.00032   0.00031   1.89898
   A84        2.26402  -0.00004   0.00005  -0.00001   0.00003   2.26405
   A85        2.11928  -0.00002  -0.00004  -0.00026  -0.00030   2.11898
   A86        1.90017   0.00011  -0.00001   0.00084   0.00082   1.90099
   A87        2.25712   0.00002  -0.00000  -0.00016  -0.00017   2.25695
   A88        2.12536  -0.00013   0.00003  -0.00058  -0.00055   2.12481
   A89        1.86579   0.00004   0.00000  -0.00053  -0.00052   1.86527
   A90        2.08471   0.00009  -0.00003   0.00058   0.00055   2.08526
   A91        2.33254  -0.00012   0.00003  -0.00001   0.00002   2.33256
   A92        1.86560   0.00007  -0.00001  -0.00028  -0.00029   1.86532
   A93        2.33275  -0.00017   0.00003   0.00011   0.00014   2.33289
   A94        2.08476   0.00010  -0.00002   0.00020   0.00018   2.08494
   A95        1.90046  -0.00000  -0.00002   0.00041   0.00039   1.90084
   A96        2.25965   0.00013   0.00003   0.00012   0.00014   2.25979
   A97        2.12261  -0.00013   0.00000  -0.00039  -0.00039   2.12223
   A98        1.89912   0.00004   0.00001   0.00054   0.00055   1.89967
   A99        2.26018   0.00002  -0.00000   0.00046   0.00045   2.26064
   A100       2.12331  -0.00005  -0.00000  -0.00089  -0.00090   2.12241
   A101       1.86711   0.00003  -0.00005  -0.00049  -0.00054   1.86657
   A102       2.08619   0.00003   0.00003   0.00039   0.00041   2.08660
   A103       2.32980  -0.00006   0.00003   0.00013   0.00016   2.32996
   A104       1.86618   0.00003   0.00003  -0.00035  -0.00031   1.86586
   A105       2.33118  -0.00008   0.00004   0.00029   0.00033   2.33151
   A106       2.08568   0.00005  -0.00007   0.00011   0.00004   2.08572
   A107       1.90039  -0.00001  -0.00004   0.00023   0.00020   1.90059
   A108       2.26021   0.00012  -0.00001   0.00029   0.00028   2.26049
   A109       2.12208  -0.00011   0.00005  -0.00047  -0.00042   2.12166
   A110       2.07965  -0.00001  -0.00001   0.00001   0.00001   2.07966
   A111       2.09993   0.00001  -0.00000   0.00023   0.00023   2.10016
   A112       2.10358   0.00000   0.00001  -0.00025  -0.00024   2.10333
   A113       2.10330  -0.00001   0.00005   0.00005   0.00010   2.10339
   A114       2.09215  -0.00001  -0.00001  -0.00010  -0.00011   2.09204
   A115       2.08772   0.00002  -0.00004   0.00005   0.00002   2.08774
   A116       2.11962   0.00003  -0.00007  -0.00002  -0.00009   2.11952
   A117       2.08602  -0.00001   0.00004  -0.00039  -0.00035   2.08567
   A118       2.07754  -0.00001   0.00003   0.00041   0.00044   2.07798
   A119       2.05580  -0.00001   0.00007   0.00018   0.00025   2.05604
   A120       2.12168  -0.00003  -0.00001  -0.00024  -0.00025   2.12142
   A121       2.10564   0.00004  -0.00007   0.00009   0.00002   2.10566
   A122       2.05206   0.00002   0.00000   0.00031   0.00031   2.05237
   A123       2.12333  -0.00005  -0.00004  -0.00084  -0.00088   2.12245
   A124       2.10765   0.00003   0.00004   0.00056   0.00059   2.10825
   A125       2.12075   0.00001  -0.00003  -0.00004  -0.00007   2.12068
   A126       2.07611   0.00003   0.00000  -0.00025  -0.00025   2.07586
   A127       2.08629  -0.00004   0.00003   0.00030   0.00034   2.08662
   A128       2.10429  -0.00002   0.00003  -0.00006  -0.00003   2.10426
   A129       2.08732   0.00001  -0.00003  -0.00010  -0.00014   2.08718
   A130       2.09154   0.00000  -0.00000   0.00017   0.00017   2.09171
   A131       2.07810  -0.00000  -0.00001   0.00002   0.00001   2.07810
   A132       2.10066   0.00002  -0.00000   0.00045   0.00045   2.10111
   A133       2.10439  -0.00002   0.00001  -0.00045  -0.00044   2.10395
   A134       2.08055  -0.00002   0.00002  -0.00003  -0.00000   2.08055
   A135       2.10006  -0.00000  -0.00000   0.00048   0.00048   2.10054
   A136       2.10257   0.00003  -0.00002  -0.00045  -0.00047   2.10210
   A137       2.10438  -0.00003  -0.00001  -0.00007  -0.00008   2.10430
   A138       2.09152   0.00002   0.00001  -0.00041  -0.00041   2.09111
   A139       2.08728   0.00001   0.00000   0.00049   0.00049   2.08777
   A140       2.11910   0.00003   0.00001   0.00005   0.00006   2.11916
   A141       2.08480   0.00001  -0.00001   0.00004   0.00003   2.08484
   A142       2.07927  -0.00004  -0.00000  -0.00008  -0.00009   2.07919
   A143       2.05483   0.00005   0.00000   0.00027   0.00027   2.05510
   A144       2.11588   0.00004  -0.00000  -0.00013  -0.00013   2.11574
   A145       2.11245  -0.00009   0.00000  -0.00014  -0.00013   2.11232
   A146       2.05188   0.00005   0.00001   0.00017   0.00018   2.05206
   A147       2.11930  -0.00001  -0.00003  -0.00005  -0.00008   2.11923
   A148       2.11196  -0.00004   0.00002  -0.00014  -0.00012   2.11184
   A149       2.12010   0.00003  -0.00003   0.00027   0.00025   2.12035
   A150       2.07765  -0.00002   0.00002   0.00062   0.00064   2.07828
   A151       2.08542  -0.00000   0.00001  -0.00089  -0.00088   2.08454
   A152       2.10533  -0.00005   0.00002  -0.00034  -0.00032   2.10502
   A153       2.08639   0.00004  -0.00002   0.00018   0.00016   2.08655
   A154       2.09143   0.00000  -0.00001   0.00017   0.00016   2.09159
   A155       2.07885   0.00001   0.00000  -0.00011  -0.00010   2.07874
   A156       2.10058   0.00002  -0.00000  -0.00001  -0.00001   2.10057
   A157       2.10375  -0.00003  -0.00000   0.00011   0.00011   2.10386
   A158       2.08018   0.00002   0.00003   0.00021   0.00024   2.08042
   A159       2.10014  -0.00001  -0.00002   0.00037   0.00035   2.10050
   A160       2.10286  -0.00001  -0.00001  -0.00059  -0.00060   2.10226
   A161       2.10433  -0.00001  -0.00000  -0.00015  -0.00016   2.10417
   A162       2.09173  -0.00000   0.00002   0.00041   0.00043   2.09216
   A163       2.08709   0.00001  -0.00002  -0.00026  -0.00028   2.08681
   A164       2.11895   0.00001   0.00000   0.00001   0.00001   2.11896
   A165       2.08538  -0.00001   0.00001  -0.00008  -0.00007   2.08531
   A166       2.07884   0.00001  -0.00001   0.00007   0.00006   2.07890
   A167       2.05499   0.00004  -0.00001   0.00030   0.00029   2.05529
   A168       2.11852   0.00002  -0.00003  -0.00034  -0.00037   2.11816
   A169       2.10962  -0.00006   0.00004   0.00004   0.00008   2.10970
   A170       2.05309   0.00002   0.00000   0.00070   0.00071   2.05379
   A171       2.12081   0.00002  -0.00004  -0.00042  -0.00046   2.12036
   A172       2.10926  -0.00004   0.00004  -0.00028  -0.00024   2.10902
   A173       2.12020   0.00001  -0.00004  -0.00019  -0.00023   2.11997
   A174       2.07711   0.00001   0.00001   0.00046   0.00047   2.07758
   A175       2.08587  -0.00002   0.00003  -0.00027  -0.00024   2.08563
   A176       2.10456  -0.00002   0.00009  -0.00003   0.00006   2.10462
   A177       2.08699  -0.00000  -0.00003   0.00003   0.00000   2.08699
   A178       2.09162   0.00002  -0.00006  -0.00000  -0.00006   2.09157
   A179       2.07891   0.00002  -0.00007   0.00003  -0.00004   2.07887
   A180       2.10045   0.00000   0.00003   0.00043   0.00046   2.10091
   A181       2.10382  -0.00002   0.00004  -0.00046  -0.00042   2.10340
   A182       1.96372  -0.00052  -0.00082   0.00008  -0.00072   1.96299
   A183       1.79182  -0.00306   0.00079   0.00925   0.01005   1.80186
   A184       1.81155   0.00108   0.00029  -0.00903  -0.00874   1.80281
   A185       2.08248  -0.00077  -0.00042  -0.00957  -0.00999   2.07250
   A186       1.94428   0.00152   0.00069   0.00853   0.00922   1.95350
   A187       1.84472   0.00183  -0.00044   0.00038  -0.00004   1.84468
   A188       2.12376  -0.01118  -0.00002  -0.01031  -0.01034   2.11343
   A189       2.31683  -0.00352   0.00084  -0.00206  -0.00122   2.31561
   A190       1.88568   0.00056   0.00073   0.00509   0.00583   1.89151
   A191       1.88650  -0.00377  -0.00159   0.00687   0.00528   1.89178
   A192       1.83530   0.00179   0.00019  -0.00143  -0.00124   1.83405
   A193       1.95036   0.00137   0.00135  -0.00584  -0.00451   1.94586
   A194       1.97087  -0.00081  -0.00014  -0.00241  -0.00256   1.96831
   A195       1.92907   0.00070  -0.00066  -0.00127  -0.00196   1.92711
   A196       1.89834  -0.00003   0.00003   0.00064   0.00067   1.89901
   A197       1.94881  -0.00019   0.00001  -0.00207  -0.00206   1.94675
   A198       1.91896  -0.00004   0.00016   0.00283   0.00299   1.92195
   A199       1.89013   0.00010   0.00002   0.00133   0.00135   1.89148
   A200       1.88850   0.00001  -0.00021  -0.00207  -0.00228   1.88621
   A201       1.91779   0.00017  -0.00003  -0.00068  -0.00070   1.91709
   A202       1.87714   0.00028   0.00010   0.00071   0.00081   1.87795
   A203       1.89956  -0.00030   0.00007  -0.00225  -0.00217   1.89739
   A204       1.90205  -0.00015  -0.00015  -0.00046  -0.00061   1.90144
   A205       1.93907   0.00015  -0.00012  -0.00021  -0.00033   1.93874
   A206       1.93982   0.00016   0.00007   0.00225   0.00232   1.94213
   A207       1.90531  -0.00015   0.00003  -0.00014  -0.00011   1.90520
   A208       1.91266  -0.00004  -0.00009  -0.00069  -0.00079   1.91187
   A209       1.92945   0.00013   0.00018   0.00326   0.00344   1.93289
   A210       1.93681  -0.00006  -0.00016  -0.00296  -0.00312   1.93368
   A211       1.89561  -0.00002   0.00011   0.00072   0.00082   1.89643
   A212       1.89337  -0.00001  -0.00009   0.00007  -0.00003   1.89334
   A213       1.89507  -0.00001   0.00006  -0.00037  -0.00031   1.89477
   A214       2.23013  -0.00259   0.00138   0.02986   0.03124   2.26137
    D1        0.00706  -0.00001   0.00002   0.00250   0.00252   0.00958
    D2        3.12281  -0.00011  -0.00036  -0.00510  -0.00546   3.11734
    D3       -3.13771   0.00003   0.00028   0.00509   0.00537  -3.13234
    D4       -0.02196  -0.00007  -0.00010  -0.00251  -0.00261  -0.02458
    D5       -0.02706  -0.00006  -0.00050  -0.00727  -0.00777  -0.03483
    D6        3.12048   0.00001   0.00010  -0.00117  -0.00107   3.11941
    D7        3.11771  -0.00011  -0.00076  -0.00986  -0.01062   3.10709
    D8       -0.01794  -0.00003  -0.00016  -0.00376  -0.00392  -0.02185
    D9        2.17278   0.00019  -0.00030  -0.00649  -0.00680   2.16598
   D10       -0.98905   0.00019  -0.00017  -0.00475  -0.00492  -0.99397
   D11       -0.97199   0.00023  -0.00004  -0.00390  -0.00395  -0.97593
   D12        2.14937   0.00024   0.00009  -0.00216  -0.00207   2.14730
   D13        0.03159   0.00007   0.00055   0.00653   0.00707   0.03866
   D14       -3.04086   0.00005   0.00016   0.00565   0.00582  -3.03504
   D15       -3.08338   0.00017   0.00094   0.01434   0.01527  -3.06811
   D16        0.12735   0.00015   0.00055   0.01346   0.01401   0.14137
   D17       -0.05067  -0.00006  -0.00064  -0.01090  -0.01155  -0.06222
   D18        3.06579  -0.00033  -0.00137  -0.02154  -0.02288   3.04291
   D19        3.02465  -0.00004  -0.00026  -0.00987  -0.01013   3.01452
   D20       -0.14207  -0.00031  -0.00098  -0.02051  -0.02146  -0.16353
   D21       -3.02332   0.00049   0.00244   0.04121   0.04368  -2.97964
   D22        0.18203   0.00055   0.00300   0.04976   0.05279   0.23482
   D23        0.18746   0.00046   0.00204   0.04023   0.04230   0.22976
   D24       -2.89038   0.00052   0.00260   0.04878   0.05141  -2.83897
   D25        0.03159  -0.00002   0.00017   0.00630   0.00646   0.03805
   D26       -3.12497  -0.00004   0.00023   0.00350   0.00373  -3.12124
   D27       -3.08507   0.00025   0.00089   0.01688   0.01775  -3.06732
   D28        0.04156   0.00022   0.00095   0.01408   0.01502   0.05657
   D29       -0.18580  -0.00018  -0.00109  -0.02011  -0.02120  -0.20701
   D30        2.91903   0.00057   0.00104  -0.00369  -0.00268   2.91634
   D31        2.93080  -0.00045  -0.00180  -0.03069  -0.03249   2.89831
   D32       -0.24756   0.00030   0.00033  -0.01428  -0.01397  -0.26152
   D33        0.00772   0.00007   0.00041   0.00287   0.00328   0.01100
   D34       -3.13989   0.00000  -0.00020  -0.00331  -0.00350   3.13979
   D35       -3.11852   0.00010   0.00034   0.00572   0.00606  -3.11246
   D36        0.01705   0.00003  -0.00026  -0.00046  -0.00072   0.01633
   D37        0.10172  -0.00016  -0.00096  -0.01772  -0.01865   0.08307
   D38       -2.95120   0.00008  -0.00004  -0.00247  -0.00250  -2.95370
   D39       -3.10203  -0.00024  -0.00152  -0.02612  -0.02762  -3.12965
   D40        0.12824   0.00001  -0.00060  -0.01087  -0.01147   0.11677
   D41        3.01559  -0.00002  -0.00014   0.00042   0.00026   3.01584
   D42       -0.12319   0.00008   0.00050   0.00878   0.00927  -0.11393
   D43       -0.06329   0.00004   0.00042   0.00889   0.00931  -0.05398
   D44        3.08112   0.00014   0.00106   0.01725   0.01832   3.09944
   D45       -0.42449  -0.00036  -0.00096  -0.02208  -0.02294  -0.44744
   D46        2.99069  -0.00028   0.00133   0.02746   0.02869   3.01938
   D47        2.62546  -0.00064  -0.00192  -0.03776  -0.03957   2.58590
   D48       -0.24253  -0.00056   0.00037   0.01177   0.01207  -0.23046
   D49       -0.09553  -0.00007   0.00024   0.00395   0.00419  -0.09135
   D50        2.98247  -0.00020  -0.00028  -0.00186  -0.00215   2.98032
   D51        3.13674   0.00021   0.00117   0.01954   0.02070  -3.12574
   D52       -0.06844   0.00007   0.00066   0.01373   0.01437  -0.05407
   D53        0.46605   0.00045   0.00198   0.04062   0.04248   0.50853
   D54       -2.63729  -0.00033  -0.00023   0.02350   0.02320  -2.61409
   D55       -2.93796   0.00078  -0.00023  -0.00719  -0.00744  -2.94540
   D56        0.24189  -0.00000  -0.00244  -0.02430  -0.02672   0.21516
   D57        2.74114  -0.00015  -0.00022  -0.03044  -0.03075   2.71039
   D58       -0.80198  -0.00162   0.00079  -0.01579  -0.01502  -0.81699
   D59       -0.12182  -0.00025   0.00223   0.02116   0.02339  -0.09844
   D60        2.61825  -0.00172   0.00324   0.03582   0.03911   2.65737
   D61        3.03150  -0.00061  -0.00126  -0.00404  -0.00537   3.02613
   D62       -0.14841   0.00016   0.00095   0.01291   0.01385  -0.13456
   D63       -0.03897  -0.00006   0.00013   0.00034   0.00048  -0.03849
   D64        3.13648   0.00005   0.00038   0.00408   0.00446   3.14094
   D65        3.09986  -0.00016  -0.00050  -0.00786  -0.00837   3.09149
   D66       -0.00788  -0.00006  -0.00025  -0.00413  -0.00438  -0.01226
   D67        0.07463  -0.00001  -0.00052  -0.00759  -0.00811   0.06652
   D68       -3.03697   0.00005  -0.00024  -0.00420  -0.00444  -3.04141
   D69       -3.10055  -0.00011  -0.00077  -0.01128  -0.01204  -3.11259
   D70        0.07104  -0.00005  -0.00048  -0.00789  -0.00838   0.06266
   D71       -2.31775   0.00004   0.00045   0.01016   0.01061  -2.30714
   D72        0.82052   0.00014   0.00108   0.01974   0.02081   0.84133
   D73        0.85787   0.00015   0.00070   0.01391   0.01461   0.87248
   D74       -2.28705   0.00024   0.00133   0.02349   0.02482  -2.26223
   D75       -0.00661   0.00007   0.00034   0.00535   0.00569  -0.00092
   D76       -3.08556   0.00019   0.00084   0.01086   0.01168  -3.07388
   D77        3.10477   0.00001   0.00006   0.00197   0.00203   3.10680
   D78        0.02582   0.00013   0.00055   0.00748   0.00802   0.03384
   D79       -0.06319   0.00016  -0.00076  -0.00909  -0.00988  -0.07307
   D80       -3.13460  -0.00002  -0.00184  -0.01138  -0.01324   3.13534
   D81       -2.78750   0.00098  -0.00198  -0.02676  -0.02873  -2.81622
   D82        0.42428   0.00080  -0.00307  -0.02905  -0.03209   0.39219
   D83       -0.00212  -0.00067  -0.00339  -0.00098  -0.00438  -0.00650
   D84       -2.26272   0.00284  -0.00292   0.00430   0.00135  -2.26137
   D85        2.10205   0.00156  -0.00280   0.00369   0.00088   2.10294
   D86        2.72661  -0.00135  -0.00230   0.01550   0.01321   2.73982
   D87        0.46601   0.00216  -0.00184   0.02077   0.01893   0.48495
   D88       -1.45240   0.00088  -0.00172   0.02016   0.01847  -1.43393
   D89        0.16204   0.00009  -0.00073  -0.00196  -0.00268   0.15936
   D90       -3.00976  -0.00019  -0.00059  -0.00219  -0.00278  -3.01254
   D91       -3.04522   0.00017   0.00029   0.00004   0.00033  -3.04489
   D92        0.06617  -0.00011   0.00043  -0.00020   0.00023   0.06640
   D93        3.03657   0.00016   0.00027   0.00280   0.00307   3.03964
   D94       -0.16113   0.00026   0.00017  -0.00135  -0.00118  -0.16231
   D95       -0.03537   0.00001  -0.00080   0.00061  -0.00019  -0.03556
   D96        3.05012   0.00011  -0.00090  -0.00355  -0.00444   3.04568
   D97       -0.05331  -0.00030   0.00062  -0.00008   0.00053  -0.05278
   D98        3.11759  -0.00002   0.00048   0.00017   0.00065   3.11824
   D99       -0.04945   0.00017   0.00027   0.00081   0.00108  -0.04836
   D100       3.10565   0.00014  -0.00030  -0.00080  -0.00110   3.10454
   D101       3.06357  -0.00012   0.00041   0.00057   0.00097   3.06455
   D102      -0.06452  -0.00015  -0.00017  -0.00104  -0.00122  -0.06573
   D103      -0.01356   0.00007   0.00048  -0.00162  -0.00114  -0.01469
   D104       3.11281   0.00000   0.00028  -0.00266  -0.00238   3.11043
   D105      -3.10077  -0.00002   0.00058   0.00241   0.00299  -3.09778
   D106       0.02559  -0.00008   0.00038   0.00137   0.00175   0.02734
   D107       0.03199  -0.00006   0.00024   0.00210   0.00233   0.03432
   D108      -3.13519  -0.00008   0.00033   0.00396   0.00429  -3.13091
   D109      -3.09442   0.00001   0.00044   0.00316   0.00360  -3.09082
   D110       0.02159  -0.00002   0.00053   0.00502   0.00555   0.02714
   D111      -0.00027  -0.00006  -0.00061  -0.00171  -0.00232  -0.00259
   D112       3.12723  -0.00004  -0.00001  -0.00000  -0.00001   3.12721
   D113      -3.11596  -0.00004  -0.00071  -0.00362  -0.00433  -3.12029
   D114       0.01154  -0.00001  -0.00010  -0.00192  -0.00202   0.00951
   D115      -2.21626   0.00003   0.00073   0.01405   0.01478  -2.20148
   D116       0.94252  -0.00011   0.00002   0.00279   0.00281   0.94533
   D117       0.89904   0.00000   0.00082   0.01598   0.01680   0.91584
   D118      -2.22537  -0.00014   0.00011   0.00472   0.00483  -2.22053
   D119       3.12504  -0.00001  -0.00002   0.00031   0.00029   3.12533
   D120      -0.05158  -0.00003   0.00028   0.00330   0.00358  -0.04799
   D121       0.00071  -0.00002  -0.00013  -0.00119  -0.00133  -0.00062
   D122       3.10728  -0.00004   0.00017   0.00180   0.00196   3.10924
   D123      -3.12380   0.00001  -0.00004  -0.00026  -0.00029  -3.12409
   D124      -0.01518  -0.00000   0.00033   0.00489   0.00522  -0.00996
   D125       0.00044   0.00002   0.00008   0.00122   0.00131   0.00174
   D126       3.10906   0.00000   0.00045   0.00637   0.00682   3.11588
   D127       3.13926   0.00008   0.00027   0.00511   0.00539  -3.13854
   D128       0.05227   0.00005   0.00004   0.00115   0.00120   0.05346
   D129       0.00048  -0.00000  -0.00026  -0.00299  -0.00325  -0.00277
   D130      -3.08651  -0.00004  -0.00049  -0.00695  -0.00744  -3.09395
   D131       3.14095  -0.00008  -0.00033  -0.00544  -0.00578   3.13517
   D132       0.05281  -0.00003  -0.00032  -0.00633  -0.00665   0.04616
   D133      -0.00350   0.00001   0.00021   0.00280   0.00301  -0.00050
   D134      -3.09165   0.00005   0.00023   0.00191   0.00213  -3.08951
   D135      -3.13392  -0.00009  -0.00047  -0.00809  -0.00856   3.14071
   D136       0.04404  -0.00005  -0.00064  -0.01142  -0.01207   0.03198
   D137      -0.00706   0.00003   0.00014   0.00156   0.00170  -0.00536
   D138      -3.11228   0.00007  -0.00004  -0.00177  -0.00181  -3.11409
   D139       3.13238   0.00008   0.00044   0.00773   0.00818   3.14056
   D140       0.02506   0.00010   0.00028   0.00584   0.00612   0.03118
   D141       0.00545  -0.00003  -0.00016  -0.00187  -0.00203   0.00342
   D142      -3.10188  -0.00001  -0.00032  -0.00376  -0.00408  -3.10596
   D143       0.00264   0.00000   0.00021   0.00201   0.00222   0.00486
   D144      -3.12317  -0.00000   0.00000  -0.00127  -0.00127  -3.12444
   D145       3.09472   0.00003   0.00042   0.00561   0.00602   3.10074
   D146      -0.03109   0.00002   0.00021   0.00232   0.00253  -0.02856
   D147       3.11133   0.00002  -0.00001   0.00203   0.00202   3.11336
   D148      -0.01247   0.00001  -0.00003   0.00058   0.00055  -0.01192
   D149       0.03046  -0.00002  -0.00026  -0.00240  -0.00266   0.02780
   D150      -3.09334  -0.00003  -0.00028  -0.00386  -0.00414  -3.09748
   D151      -0.00472   0.00000  -0.00008  -0.00029  -0.00037  -0.00509
   D152       3.12143  -0.00005  -0.00015  -0.00175  -0.00190   3.11954
   D153       3.11801   0.00001   0.00016   0.00363   0.00379   3.12181
   D154      -0.03902  -0.00005   0.00010   0.00217   0.00226  -0.03675
   D155       0.00960  -0.00003  -0.00013  -0.00037  -0.00050   0.00910
   D156      -3.14122  -0.00002   0.00001   0.00095   0.00095  -3.14027
   D157      -3.11126  -0.00003  -0.00040  -0.00467  -0.00506  -3.11632
   D158       0.02111  -0.00002  -0.00026  -0.00335  -0.00362   0.01749
   D159       0.00508  -0.00001  -0.00008  -0.00154  -0.00161   0.00347
   D160       3.09850  -0.00005  -0.00009  -0.00073  -0.00082   3.09768
   D161      -3.12358   0.00004  -0.00002  -0.00031  -0.00034  -3.12392
   D162      -0.03016  -0.00000  -0.00003   0.00050   0.00046  -0.02970
   D163      -3.11570   0.00007   0.00026   0.00270   0.00297  -3.11274
   D164       0.01786   0.00008   0.00012   0.00216   0.00228   0.02014
   D165       0.00891   0.00001   0.00019   0.00109   0.00128   0.01019
   D166      -3.14071   0.00001   0.00005   0.00055   0.00059  -3.14012
   D167       3.11187  -0.00006  -0.00022  -0.00069  -0.00091   3.11097
   D168      -0.01669  -0.00006  -0.00010  -0.00229  -0.00239  -0.01908
   D169       0.02959  -0.00001  -0.00020  -0.00169  -0.00189   0.02769
   D170      -3.09897  -0.00001  -0.00009  -0.00330  -0.00338  -3.10235
   D171      -0.00154   0.00001   0.00013   0.00070   0.00083  -0.00071
   D172       3.12451   0.00006   0.00031   0.00314   0.00345   3.12796
   D173      -3.11127   0.00002  -0.00014  -0.00203  -0.00217  -3.11343
   D174       0.01479   0.00008   0.00003   0.00041   0.00045   0.01524
   D175      -3.11895  -0.00003  -0.00020  -0.00320  -0.00340  -3.12234
   D176       0.01242  -0.00008  -0.00036  -0.00439  -0.00474   0.00768
   D177      -0.01634  -0.00005   0.00013   0.00016   0.00029  -0.01605
   D178       3.11503  -0.00009  -0.00002  -0.00103  -0.00106   3.11397
   D179       0.00178   0.00000  -0.00008   0.00005  -0.00003   0.00175
   D180      -3.12590  -0.00002  -0.00020  -0.00323  -0.00344  -3.12933
   D181      -3.12111  -0.00006  -0.00029  -0.00290  -0.00319  -3.12430
   D182       0.03439  -0.00009  -0.00041  -0.00618  -0.00659   0.02780
   D183      -0.00216  -0.00005  -0.00018  -0.00064  -0.00083  -0.00299
   D184      -3.14085  -0.00001   0.00006   0.00026   0.00032  -3.14053
   D185       3.11888   0.00002   0.00004   0.00259   0.00263   3.12152
   D186      -0.01980   0.00006   0.00029   0.00348   0.00377  -0.01603
   D187      -0.00138  -0.00001   0.00000  -0.00078  -0.00078  -0.00216
   D188      -3.11308  -0.00000  -0.00033  -0.00545  -0.00579  -3.11887
   D189       3.12865   0.00000   0.00010   0.00195   0.00205   3.13070
   D190       0.01695   0.00001  -0.00023  -0.00273  -0.00296   0.01399
   D191       3.12115   0.00003   0.00045   0.00474   0.00520   3.12635
   D192      -0.01614   0.00002   0.00019   0.00413   0.00432  -0.01182
   D193      -0.00516   0.00000   0.00032   0.00114   0.00146  -0.00369
   D194       3.14074  -0.00001   0.00006   0.00053   0.00059   3.14133
   D195      -3.12121  -0.00001  -0.00044  -0.00339  -0.00382  -3.12503
   D196       0.01314  -0.00001  -0.00019  -0.00288  -0.00307   0.01007
   D197      -0.01626  -0.00002  -0.00003   0.00235   0.00232  -0.01394
   D198       3.11810  -0.00002   0.00022   0.00286   0.00308   3.12117
   D199       0.00587  -0.00002  -0.00006  -0.00065  -0.00072   0.00516
   D200      -3.12341  -0.00002  -0.00014  -0.00318  -0.00332  -3.12673
   D201       3.11450  -0.00005   0.00010   0.00239   0.00249   3.11699
   D202      -0.01478  -0.00005   0.00002  -0.00013  -0.00011  -0.01489
   D203       3.11549   0.00002   0.00041   0.00276   0.00317   3.11866
   D204      -0.01930   0.00002   0.00007   0.00204   0.00211  -0.01719
   D205       0.01434   0.00005   0.00021  -0.00097  -0.00076   0.01359
   D206      -3.12045   0.00005  -0.00013  -0.00169  -0.00182  -3.12226
   D207      -0.00251   0.00000  -0.00003  -0.00048  -0.00051  -0.00302
   D208       3.11974   0.00009   0.00029   0.00281   0.00310   3.12284
   D209       3.12432   0.00001   0.00006   0.00255   0.00261   3.12693
   D210      -0.03662   0.00009   0.00038   0.00584   0.00622  -0.03040
   D211       0.00428   0.00001  -0.00031   0.00147   0.00117   0.00544
   D212       3.14083   0.00002   0.00002   0.00079   0.00081  -3.14154
   D213      -3.12109   0.00001  -0.00041  -0.00185  -0.00226  -3.12334
   D214       0.01547   0.00001  -0.00008  -0.00253  -0.00261   0.01286
   D215      -0.00177   0.00002   0.00012   0.00144   0.00156  -0.00021
   D216       3.10878   0.00001   0.00026   0.00318   0.00344   3.11222
   D217      -3.12726  -0.00005  -0.00015  -0.00129  -0.00144  -3.12870
   D218      -0.01671  -0.00006  -0.00001   0.00044   0.00043  -0.01628
   D219      -3.11719  -0.00004  -0.00026  -0.00350  -0.00376  -3.12095
   D220       0.02064  -0.00007  -0.00032  -0.00500  -0.00532   0.01532
   D221       0.00314   0.00005   0.00010   0.00010   0.00020   0.00334
   D222       3.14097   0.00002   0.00004  -0.00139  -0.00136   3.13961
   D223       3.12131   0.00002   0.00013   0.00142   0.00155   3.12286
   D224      -0.00979   0.00003   0.00004   0.00112   0.00116  -0.00863
   D225       0.01779   0.00004  -0.00004  -0.00070  -0.00074   0.01705
   D226      -3.11332   0.00004  -0.00013  -0.00100  -0.00113  -3.11445
   D227       0.01156  -0.00001  -0.00010  -0.00144  -0.00155   0.01001
   D228      -3.13685  -0.00003  -0.00026  -0.00147  -0.00173  -3.13858
   D229      -3.12199  -0.00001   0.00004  -0.00090  -0.00086  -3.12285
   D230       0.01279  -0.00004  -0.00012  -0.00093  -0.00104   0.01174
   D231      -0.01186  -0.00001  -0.00014   0.00021   0.00007  -0.01179
   D232       3.12795  -0.00005  -0.00030  -0.00217  -0.00246   3.12549
   D233       3.13653   0.00002   0.00001   0.00024   0.00025   3.13679
   D234      -0.00684  -0.00002  -0.00014  -0.00214  -0.00228  -0.00912
   D235      -0.00870   0.00001   0.00029   0.00134   0.00163  -0.00707
   D236       3.11998   0.00002   0.00017   0.00292   0.00310   3.12308
   D237       3.13466   0.00005   0.00044   0.00371   0.00415   3.13881
   D238      -0.01984   0.00006   0.00033   0.00529   0.00562  -0.01421
   D239      -0.00937   0.00001   0.00024   0.00059   0.00084  -0.00853
   D240       3.14098  -0.00000   0.00006  -0.00096  -0.00090   3.14007
   D241       3.11460   0.00002   0.00026   0.00202   0.00228   3.11688
   D242      -0.01824   0.00001   0.00007   0.00047   0.00054  -0.01769
   D243      -0.01128  -0.00001  -0.00017   0.00130   0.00113  -0.01016
   D244       3.14030   0.00002  -0.00001   0.00042   0.00041   3.14070
   D245       3.12151  -0.00000   0.00001   0.00286   0.00287   3.12438
   D246      -0.01010   0.00003   0.00018   0.00197   0.00215  -0.00795
   D247       0.01099   0.00002   0.00011  -0.00139  -0.00128   0.00971
   D248      -3.12136   0.00001  -0.00003  -0.00271  -0.00274  -3.12409
   D249      -3.14062  -0.00001  -0.00005  -0.00051  -0.00056  -3.14118
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   D253       3.13074  -0.00000   0.00010   0.00131   0.00142   3.13216
   D254      -0.00703   0.00001   0.00015   0.00041   0.00056  -0.00647
   D255       0.00712  -0.00000  -0.00010  -0.00106  -0.00117   0.00595
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   D257      -3.13829  -0.00001  -0.00015  -0.00017  -0.00032  -3.13860
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   D261      -3.14053   0.00004   0.00033   0.00366   0.00399  -3.13654
   D262       0.00829   0.00003   0.00009   0.00315   0.00323   0.01152
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   D264       3.14153  -0.00001  -0.00013  -0.00077  -0.00090   3.14063
   D265      -3.12564   0.00004   0.00001   0.00069   0.00070  -3.12494
   D266       0.01011   0.00003   0.00002   0.00042   0.00044   0.01055
   D267       0.00642   0.00003  -0.00000   0.00027   0.00027   0.00670
   D268       3.13942   0.00004   0.00009   0.00111   0.00120   3.14062
   D269      -3.12930   0.00003  -0.00002   0.00054   0.00053  -3.12878
   D270       0.00370   0.00004   0.00007   0.00138   0.00145   0.00515
   D271      -0.00814   0.00000   0.00017   0.00031   0.00048  -0.00767
   D272       3.13053  -0.00004  -0.00008  -0.00059  -0.00067   3.12987
   D273      -3.14112  -0.00001   0.00008  -0.00053  -0.00045  -3.14157
   D274      -0.00244  -0.00005  -0.00016  -0.00143  -0.00159  -0.00403
   D275       0.00856  -0.00001  -0.00015  -0.00035  -0.00050   0.00806
   D276       3.14106   0.00002   0.00006  -0.00080  -0.00074   3.14032
   D277      -3.12926   0.00002  -0.00008   0.00115   0.00106  -3.12820
   D278       0.00324   0.00005   0.00012   0.00070   0.00082   0.00406
   D279      -0.00732  -0.00001   0.00010   0.00007   0.00017  -0.00715
   D280       3.12816   0.00001   0.00021  -0.00007   0.00014   3.12830
   D281      -3.13984  -0.00004  -0.00011   0.00052   0.00041  -3.13943
   D282      -0.00437  -0.00003   0.00000   0.00037   0.00038  -0.00399
   D283      -0.00583  -0.00001  -0.00000   0.00045   0.00044  -0.00539
   D284       3.12533  -0.00001   0.00009   0.00074   0.00083   3.12616
   D285      -3.14133  -0.00002  -0.00011   0.00059   0.00047  -3.14086
   D286      -0.01017  -0.00003  -0.00002   0.00088   0.00086  -0.00931
   D287      -0.00387  -0.00001  -0.00016   0.00075   0.00058  -0.00329
   D288       3.13928   0.00001  -0.00016  -0.00063  -0.00079   3.13849
   D289       3.13097  -0.00001   0.00017   0.00146   0.00163   3.13260
   D290      -0.00907   0.00001   0.00018   0.00008   0.00026  -0.00881
   D291      -0.00627  -0.00003  -0.00012   0.00059   0.00046  -0.00581
   D292       3.13929  -0.00000   0.00010   0.00054   0.00064   3.13993
   D293       3.13377  -0.00005  -0.00013   0.00197   0.00184   3.13560
   D294      -0.00386  -0.00002   0.00009   0.00193   0.00202  -0.00184
   D295       0.00595   0.00003   0.00036  -0.00170  -0.00134   0.00461
   D296      -3.13059   0.00002   0.00003  -0.00102  -0.00099  -3.13159
   D297      -3.13962   0.00000   0.00013  -0.00166  -0.00152  -3.14114
   D298       0.00702  -0.00001  -0.00020  -0.00098  -0.00117   0.00585
   D299       1.91963  -0.00486  -0.00047  -0.05614  -0.05662   1.86301
   D300      -0.26531  -0.00107   0.00023  -0.05764  -0.05740  -0.32271
   D301      -2.47021  -0.00422  -0.00000  -0.06243  -0.06244  -2.53265
   D302       1.46880  -0.00022   0.00565   0.09620   0.10187   1.57067
   D303      -2.69713   0.00061   0.00521   0.09529   0.10049  -2.59664
   D304      -0.41032   0.00209   0.00484   0.08931   0.09415  -0.31617
   D305      -2.46595   0.00089   0.00387   0.05063   0.05449  -2.41146
   D306      -0.35259   0.00067   0.00501   0.05053   0.05555  -0.29705
   D307       1.70823   0.00059   0.00356   0.05162   0.05518   1.76341
   D308       2.78060  -0.00037  -0.00436  -0.07549  -0.07985   2.70075
   D309      -1.40025  -0.00020  -0.00441  -0.07660  -0.08101  -1.48126
   D310       0.67596  -0.00063  -0.00442  -0.07834  -0.08276   0.59320
   D311      -3.04390  -0.00191  -0.00166  -0.01514  -0.01680  -3.06070
   D312      -0.95908  -0.00193  -0.00161  -0.01436  -0.01597  -0.97505
   D313       1.17432  -0.00188  -0.00152  -0.01466  -0.01618   1.15814
   D314       1.16613   0.00156  -0.00097  -0.02336  -0.02432   1.14181
   D315      -3.03224   0.00154  -0.00091  -0.02257  -0.02348  -3.05572
   D316      -0.89884   0.00160  -0.00082  -0.02287  -0.02369  -0.92253
   D317      -1.02167   0.00017  -0.00105  -0.01506  -0.01612  -1.03779
   D318       1.06315   0.00015  -0.00100  -0.01428  -0.01529   1.04787
   D319      -3.08663   0.00020  -0.00091  -0.01458  -0.01550  -3.10213
   D320      -1.05486   0.00264  -0.00270  -0.00646  -0.00914  -1.06401
   D321       1.01780   0.00174  -0.00198   0.00070  -0.00130   1.01651
   D322      -3.05467   0.00225  -0.00164  -0.00793  -0.00958  -3.06425
   D323      -3.08491  -0.00027  -0.00330  -0.05867  -0.06197   3.13630
   D324      -0.99611  -0.00024  -0.00312  -0.05619  -0.05931  -1.05542
   D325       1.10765  -0.00020  -0.00303  -0.05644  -0.05947   1.04817
   D326       1.12108  -0.00017  -0.00338  -0.05625  -0.05963   1.06144
   D327      -3.07331  -0.00014  -0.00320  -0.05378  -0.05697  -3.13028
   D328      -0.96955  -0.00010  -0.00311  -0.05403  -0.05714  -1.02669
   D329      -1.00425  -0.00019  -0.00339  -0.05748  -0.06087  -1.06512
   D330       1.08455  -0.00016  -0.00320  -0.05501  -0.05821   1.02634
   D331      -3.09488  -0.00013  -0.00311  -0.05526  -0.05837   3.12994
         Item               Value     Threshold  Converged?
 Maximum Force            0.011183     0.000450     NO 
 RMS     Force            0.000722     0.000300     NO 
 Maximum Displacement     0.559814     0.001800     NO 
 RMS     Displacement     0.094172     0.001200     NO 
 Predicted change in Energy=-7.637632D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.572668    3.225604   -0.009266
      2          6           0       -2.759514    1.847946    0.078828
      3          6           0       -1.670272    0.965375   -0.002867
      4          6           0       -0.373270    1.504373   -0.128941
      5          6           0       -0.195764    2.890337   -0.245693
      6          6           0       -1.281511    3.747773   -0.193845
      7          6           0       -1.828674   -0.493868   -0.046255
      8          6           0       -0.689040   -1.342082    0.069916
      9          6           0        0.612231   -0.758496    0.334808
     10          6           0        0.798389    0.625085   -0.092865
     11          6           0       -3.079074   -1.078308   -0.287868
     12          6           0       -3.220438   -2.453202   -0.478836
     13          6           0       -2.076572   -3.271235   -0.474894
     14          6           0       -0.842515   -2.718811   -0.204833
     15          7           0        1.726921   -1.524954    0.598005
     16          6           0        2.999576   -0.970153    0.323932
     17          6           0        3.060103    0.310876   -0.291819
     18          7           0        1.956734    1.099840   -0.461591
     19          6           0        4.213895   -1.642893    0.553345
     20          6           0        5.423127   -1.097501    0.155195
     21          6           0        5.477963    0.143168   -0.509798
     22          6           0        4.296484    0.832951   -0.723889
     23          7           0       -3.684174    4.101701    0.086734
     24          7           0       -4.487938   -3.019923   -0.719735
     25          7           0        6.723855    0.676434   -0.919631
     26          6           0       -5.007241   -4.150718   -0.065096
     27          6           0       -6.300461   -4.420963   -0.574883
     28          6           0       -6.576176   -3.418625   -1.584188
     29          6           0       -5.443022   -2.570092   -1.647414
     30          6           0       -3.816477    5.150476    1.006322
     31          6           0       -5.050570    5.809389    0.777570
     32          6           0       -5.691450    5.129324   -0.329450
     33          6           0       -4.821851    4.081881   -0.728302
     34          6           0        7.218945    1.950502   -0.605071
     35          6           0        8.496269    2.105078   -1.200062
     36          6           0        8.782950    0.875441   -1.909980
     37          6           0        7.670166    0.018279   -1.716020
     38          6           0       -7.662663   -3.186938   -2.434394
     39          6           0       -7.603259   -2.130065   -3.337893
     40          6           0       -6.463425   -1.312958   -3.405323
     41          6           0       -5.368825   -1.521641   -2.568248
     42          6           0       -4.453076   -4.911400    0.967629
     43          6           0       -5.206105   -5.974973    1.461651
     44          6           0       -6.480930   -6.270890    0.951935
     45          6           0       -7.035627   -5.494749   -0.061450
     46          6           0       -6.898275    5.319243   -1.011787
     47          6           0       -7.218464    4.477077   -2.072758
     48          6           0       -6.339932    3.452185   -2.461607
     49          6           0       -5.132179    3.241014   -1.800039
     50          6           0       -2.956117    5.538136    2.036750
     51          6           0       -3.343580    6.616363    2.828952
     52          6           0       -4.557437    7.290159    2.609088
     53          6           0       -5.415748    6.889315    1.589906
     54          6           0        9.859215    0.441270   -2.691739
     55          6           0        9.812947   -0.824988   -3.267505
     56          6           0        8.696606   -1.656202   -3.076397
     57          6           0        7.611157   -1.248082   -2.303816
     58          6           0        6.652222    2.954858    0.183645
     59          6           0        7.380007    4.130454    0.355862
     60          6           0        8.641924    4.305193   -0.236502
     61          6           0        9.205775    3.296812   -1.012038
     62          8           0        0.188839   -2.970073    2.365727
     63         15           0        1.545995   -2.887289    1.814055
     64          8           0        2.759364   -2.651466    2.806637
     65          8           0        1.926925   -4.189709    0.966750
     66          6           0        2.538322   -2.117677    4.175138
     67          6           0        3.616386   -1.100937    4.469688
     68          6           0        3.180405   -4.872928    0.728075
     69          6           0        2.859939   -6.319986    0.406627
     70          1           0       -3.764169    1.479476    0.244033
     71          1           0        0.810501    3.274162   -0.360372
     72          1           0       -1.145759    4.820100   -0.282320
     73          1           0       -3.965234   -0.460618   -0.341322
     74          1           0       -2.166245   -4.324177   -0.714590
     75          1           0        0.027908   -3.358149   -0.271209
     76          1           0        4.237336   -2.573325    1.093675
     77          1           0        6.344639   -1.626187    0.371855
     78          1           0        4.284190    1.796919   -1.218396
     79          1           0       -8.537270   -3.829598   -2.394273
     80          1           0       -8.440966   -1.938126   -4.001089
     81          1           0       -6.428649   -0.502148   -4.126856
     82          1           0       -4.488602   -0.893744   -2.642948
     83          1           0       -3.479473   -4.679195    1.385255
     84          1           0       -4.795811   -6.581519    2.263338
     85          1           0       -7.040141   -7.107401    1.359331
     86          1           0       -8.028138   -5.713953   -0.444191
     87          1           0       -7.575259    6.116812   -0.718363
     88          1           0       -8.153454    4.613796   -2.607162
     89          1           0       -6.605838    2.808465   -3.294947
     90          1           0       -4.454313    2.454064   -2.111681
     91          1           0       -2.025086    5.014325    2.223042
     92          1           0       -2.693675    6.937703    3.637374
     93          1           0       -4.828763    8.126206    3.246234
     94          1           0       -6.358567    7.403925    1.427872
     95          1           0       10.717832    1.087338   -2.850883
     96          1           0       10.641340   -1.172397   -3.876968
     97          1           0        8.673598   -2.636105   -3.544050
     98          1           0        6.747693   -1.890981   -2.173662
     99          1           0        5.682927    2.827608    0.652281
    100          1           0        6.959127    4.926807    0.962227
    101          1           0        9.181708    5.234485   -0.083269
    102          1           0       10.185477    3.429504   -1.461828
    103          1           0        1.544144   -1.668755    4.213251
    104          1           0        2.588310   -2.989865    4.832185
    105          1           0        3.509903   -0.763761    5.505921
    106          1           0        4.616101   -1.528448    4.347095
    107          1           0        3.502082   -0.232642    3.817495
    108          1           0        3.690523   -4.387871   -0.108563
    109          1           0        3.804416   -4.793854    1.623888
    110          1           0        3.788578   -6.866726    0.214618
    111          1           0        2.340184   -6.796130    1.241794
    112          1           0        2.227049   -6.389114   -0.482027
    113         17           0        0.529076    0.400781    2.788860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0359146           0.0181054           0.0139571
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10664.4400488155 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.24D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999980    0.006134    0.000524   -0.001104 Ang=   0.72 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47446186     A.U. after   13 cycles
            NFock= 13  Conv=0.45D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000319345    0.000533023   -0.000052944
      2        6           0.000061127   -0.000551863    0.000015418
      3        6          -0.000273696    0.000723142    0.000238974
      4        6           0.000022258   -0.000232904   -0.000255226
      5        6          -0.000030214    0.000188394    0.000044131
      6        6           0.000107182    0.000040580    0.000327618
      7        6           0.000383550   -0.000929446    0.000047152
      8        6          -0.001305084   -0.000955169   -0.000181323
      9        6          -0.000527621    0.001226026    0.001821309
     10        6           0.000954879   -0.000011663   -0.001527496
     11        6          -0.000134735    0.000169587   -0.000160477
     12        6           0.000493296   -0.000212434   -0.000108673
     13        6          -0.000289531    0.000090242   -0.000121414
     14        6           0.000122159    0.000400870   -0.000285064
     15        7           0.000928026   -0.001035373    0.001773470
     16        6          -0.000525244    0.000272667   -0.000656710
     17        6           0.001403651   -0.000528656   -0.000301251
     18        7          -0.001008214   -0.000085480    0.001396738
     19        6           0.000014301   -0.000485842    0.000089918
     20        6          -0.000414304   -0.000036651   -0.000040815
     21        6           0.000662937    0.000195167   -0.000142949
     22        6          -0.000434667    0.000233782    0.000229971
     23        7           0.000873396   -0.000378625   -0.000002170
     24        7          -0.000335941    0.000069759    0.000058927
     25        7          -0.000976287   -0.000435752    0.000023760
     26        6          -0.000154411   -0.000052477    0.000123888
     27        6           0.000055803    0.000010482   -0.000363565
     28        6          -0.000110773   -0.000021802    0.000198291
     29        6          -0.000004188    0.000137631   -0.000023941
     30        6           0.000113598    0.000784631    0.000005575
     31        6          -0.000073629   -0.000287348   -0.000055678
     32        6           0.000299416    0.000014256    0.000030909
     33        6          -0.000730953   -0.000442017    0.000051595
     34        6           0.000187157    0.000736483   -0.000000640
     35        6          -0.000071033   -0.000130230   -0.000048587
     36        6          -0.000244324   -0.000033536   -0.000057374
     37        6           0.000627583   -0.000192716    0.000054715
     38        6           0.000151566   -0.000102060   -0.000095763
     39        6          -0.000079178    0.000105682   -0.000052517
     40        6          -0.000046397   -0.000063415    0.000044545
     41        6           0.000040565    0.000075458    0.000025750
     42        6           0.000245365    0.000050436    0.000211786
     43        6           0.000141450    0.000126902   -0.000011506
     44        6           0.000015460   -0.000066734   -0.000082135
     45        6           0.000016386   -0.000095699    0.000167855
     46        6          -0.000236322    0.000108002   -0.000009409
     47        6           0.000016922    0.000096283    0.000117762
     48        6          -0.000121476   -0.000118704   -0.000061090
     49        6           0.000071035    0.000148132   -0.000011862
     50        6           0.000012547    0.000009924    0.000080098
     51        6          -0.000243794    0.000183761    0.000088522
     52        6           0.000149659   -0.000133111    0.000013783
     53        6           0.000052102    0.000057783   -0.000145037
     54        6           0.000216707    0.000032791    0.000054067
     55        6          -0.000258792   -0.000137306   -0.000125146
     56        6           0.000115827    0.000092720   -0.000061481
     57        6          -0.000069118    0.000046337    0.000010311
     58        6          -0.000047156   -0.000008208    0.000099413
     59        6          -0.000020181   -0.000065108   -0.000137534
     60        6           0.000057325    0.000039551   -0.000049235
     61        6          -0.000055133   -0.000017494    0.000166119
     62        8           0.000339285    0.000438761    0.000554247
     63       15          -0.000880529   -0.000394878    0.000725843
     64        8           0.000753227   -0.000848194   -0.000052481
     65        8           0.000112264    0.002924161   -0.003567680
     66        6          -0.001124639   -0.000122296    0.000157732
     67        6           0.000245243   -0.000019856   -0.000319766
     68        6           0.000707036   -0.000995860    0.002623908
     69        6           0.000106016   -0.000269308    0.000197843
     70        1          -0.000012061   -0.000349135    0.000033615
     71        1           0.000068681    0.000015260    0.000006677
     72        1          -0.000025692   -0.000041284   -0.000089593
     73        1          -0.000162717    0.000289447   -0.000065108
     74        1          -0.000021612    0.000040121    0.000012999
     75        1          -0.000320972    0.000191982    0.000022130
     76        1           0.000045980   -0.000536253   -0.000396507
     77        1           0.000028832   -0.000020370   -0.000100630
     78        1          -0.000029692    0.000011629    0.000066071
     79        1          -0.000013729    0.000008514    0.000068753
     80        1           0.000058665   -0.000022243   -0.000000381
     81        1           0.000042843   -0.000007922    0.000010818
     82        1           0.000133168   -0.000004725    0.000036565
     83        1          -0.000257008   -0.000107722   -0.000127172
     84        1          -0.000074647   -0.000029969    0.000035253
     85        1          -0.000015049    0.000018113   -0.000011071
     86        1          -0.000022985    0.000047012    0.000021182
     87        1           0.000169212   -0.000102210   -0.000005667
     88        1           0.000020882   -0.000048682   -0.000039955
     89        1           0.000065155    0.000017946    0.000003975
     90        1          -0.000029071   -0.000051340   -0.000073975
     91        1          -0.000046884   -0.000057834    0.000047616
     92        1           0.000061719   -0.000066174   -0.000028473
     93        1           0.000002144    0.000029825   -0.000027488
     94        1          -0.000002921   -0.000021770    0.000030905
     95        1          -0.000066670   -0.000001345    0.000057422
     96        1           0.000060415    0.000007434    0.000089527
     97        1           0.000013967   -0.000002744    0.000032680
     98        1          -0.000044182   -0.000034642   -0.000055389
     99        1          -0.000010746   -0.000017405    0.000068105
    100        1           0.000021736   -0.000051959    0.000080009
    101        1          -0.000045906    0.000003503   -0.000042356
    102        1           0.000008234   -0.000037584   -0.000027704
    103        1           0.000457148    0.000047732   -0.000314508
    104        1           0.000085276    0.000215820    0.000047810
    105        1          -0.000037100   -0.000102299   -0.000011675
    106        1           0.000092147    0.000157512    0.000110132
    107        1          -0.000057972    0.000057370   -0.000002337
    108        1          -0.000048303    0.000433442   -0.000147990
    109        1           0.000021041    0.000339744   -0.000246811
    110        1          -0.000067796   -0.000025210   -0.000102037
    111        1           0.000083392   -0.000026557   -0.000012305
    112        1           0.000056892   -0.000010266   -0.000008492
    113       17           0.000086786   -0.000019953   -0.001647620
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003567680 RMS     0.000460826

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008421285 RMS     0.000632962
 Search for a local minimum.
 Step number  17 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   15   16   17
 DE= -1.09D-03 DEPred=-7.64D-04 R= 1.42D+00
 TightC=F SS=  1.41D+00  RLast= 3.73D-01 DXNew= 1.5276D+00 1.1181D+00
 Trust test= 1.42D+00 RLast= 3.73D-01 DXMaxT set to 1.12D+00
 ITU=  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00233   0.00727   0.00732   0.00972   0.01174
     Eigenvalues ---    0.01447   0.01791   0.02099   0.02460   0.02485
     Eigenvalues ---    0.02489   0.02540   0.02548   0.02571   0.02587
     Eigenvalues ---    0.02606   0.02637   0.02661   0.02678   0.02683
     Eigenvalues ---    0.02697   0.02703   0.02710   0.02716   0.02728
     Eigenvalues ---    0.02743   0.02750   0.02773   0.02778   0.02790
     Eigenvalues ---    0.02796   0.02803   0.02812   0.02814   0.02816
     Eigenvalues ---    0.02827   0.02844   0.02848   0.02858   0.02867
     Eigenvalues ---    0.02871   0.02875   0.02881   0.02891   0.02898
     Eigenvalues ---    0.02901   0.02903   0.02907   0.02910   0.02916
     Eigenvalues ---    0.02917   0.02918   0.02925   0.02931   0.02937
     Eigenvalues ---    0.02947   0.02948   0.02950   0.02952   0.02952
     Eigenvalues ---    0.02955   0.02963   0.02964   0.02965   0.02966
     Eigenvalues ---    0.02974   0.02984   0.02989   0.02991   0.02992
     Eigenvalues ---    0.03000   0.03012   0.03020   0.03030   0.03041
     Eigenvalues ---    0.03055   0.03059   0.03064   0.03071   0.03081
     Eigenvalues ---    0.03087   0.03097   0.03107   0.03116   0.03127
     Eigenvalues ---    0.03137   0.03142   0.03158   0.03169   0.03177
     Eigenvalues ---    0.03188   0.03220   0.03236   0.03244   0.03263
     Eigenvalues ---    0.03278   0.03334   0.03578   0.03837   0.05292
     Eigenvalues ---    0.05326   0.05554   0.05747   0.05856   0.05889
     Eigenvalues ---    0.05906   0.06246   0.06564   0.08428   0.11207
     Eigenvalues ---    0.11414   0.12144   0.12278   0.13446   0.13591
     Eigenvalues ---    0.14906   0.15935   0.15950   0.15977   0.15981
     Eigenvalues ---    0.15992   0.15995   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16008
     Eigenvalues ---    0.16009   0.16017   0.16055   0.16105   0.17662
     Eigenvalues ---    0.19652   0.20102   0.21562   0.21754   0.21998
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22004   0.22057
     Eigenvalues ---    0.22300   0.22416   0.22462   0.22560   0.22597
     Eigenvalues ---    0.22600   0.22614   0.22638   0.22665   0.23281
     Eigenvalues ---    0.23410   0.23516   0.23602   0.23674   0.24184
     Eigenvalues ---    0.24402   0.24447   0.24483   0.24495   0.24512
     Eigenvalues ---    0.24540   0.24553   0.24578   0.24686   0.24804
     Eigenvalues ---    0.24896   0.24931   0.24967   0.24973   0.24981
     Eigenvalues ---    0.24984   0.24985   0.24986   0.24991   0.25002
     Eigenvalues ---    0.25108   0.25189   0.25442   0.25936   0.26529
     Eigenvalues ---    0.26990   0.27233   0.28197   0.28460   0.28746
     Eigenvalues ---    0.28848   0.29210   0.29314   0.29461   0.29680
     Eigenvalues ---    0.30093   0.30455   0.30659   0.30708   0.30795
     Eigenvalues ---    0.30920   0.31082   0.31167   0.31262   0.31366
     Eigenvalues ---    0.31394   0.31489   0.31745   0.32138   0.32232
     Eigenvalues ---    0.32557   0.32667   0.33160   0.33513   0.33746
     Eigenvalues ---    0.33948   0.34001   0.34243   0.34499   0.34671
     Eigenvalues ---    0.34937   0.35015   0.35157   0.35424   0.35581
     Eigenvalues ---    0.35832   0.36389   0.36779   0.37135   0.37309
     Eigenvalues ---    0.38957   0.39987   0.41435   0.41490   0.41927
     Eigenvalues ---    0.42149   0.42776   0.43376   0.44091   0.45157
     Eigenvalues ---    0.45616   0.46566   0.47095   0.47103   0.47197
     Eigenvalues ---    0.47677   0.47919   0.48473   0.49854   0.50194
     Eigenvalues ---    0.50415   0.50571   0.50814   0.51688   0.52046
     Eigenvalues ---    0.52093   0.52213   0.52511   0.52630   0.53104
     Eigenvalues ---    0.53178   0.53490   0.53790   0.54291   0.54367
     Eigenvalues ---    0.55037   0.55341   0.55452   0.55630   0.55884
     Eigenvalues ---    0.55999   0.56166   0.56206   0.56469   0.56640
     Eigenvalues ---    0.56934   0.57099   0.57205   0.57239   0.57901
     Eigenvalues ---    0.58234   0.58284   0.58320   0.58441   0.58540
     Eigenvalues ---    0.58627   0.58921   0.58994   0.59454   0.59617
     Eigenvalues ---    0.59805   0.59903   0.60294   0.60657   0.60914
     Eigenvalues ---    0.61842   0.62518   0.63273   0.63589   0.64457
     Eigenvalues ---    0.65279   0.66031   0.66769   0.67813   0.68875
     Eigenvalues ---    0.72095   0.73219   0.74622   0.75863   0.80348
     Eigenvalues ---    0.82732   0.85454   1.87796
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    17   16
 RFO step:  Lambda=-1.91989399D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -2.00000
 Iteration  1 RMS(Cart)=  0.19827959 RMS(Int)=  0.00741177
 Iteration  2 RMS(Cart)=  0.03439777 RMS(Int)=  0.00087270
 Iteration  3 RMS(Cart)=  0.00183613 RMS(Int)=  0.00029044
 Iteration  4 RMS(Cart)=  0.00000467 RMS(Int)=  0.00029044
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00029044
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63250   0.00028   0.00201   0.00122   0.00331   2.63581
    R2        2.65492   0.00011  -0.00289   0.00067  -0.00202   2.65290
    R3        2.68062  -0.00049   0.00171  -0.00101   0.00069   2.68131
    R4        2.65374  -0.00057  -0.00336  -0.00183  -0.00532   2.64842
    R5        2.04614   0.00017  -0.00035   0.00132   0.00098   2.04712
    R6        2.66487  -0.00010  -0.00037  -0.00094  -0.00202   2.66285
    R7        2.77498  -0.00009  -0.00017  -0.00039  -0.00105   2.77393
    R8        2.64969   0.00020  -0.00360   0.00044  -0.00324   2.64645
    R9        2.76910   0.00006   0.00362   0.00162   0.00523   2.77433
   R10        2.61625   0.00008   0.00249   0.00089   0.00351   2.61976
   R11        2.04671   0.00007  -0.00022   0.00066   0.00043   2.04714
   R12        2.04941  -0.00004   0.00019  -0.00007   0.00012   2.04953
   R13        2.69359  -0.00047  -0.00514  -0.00112  -0.00634   2.68725
   R14        2.64794  -0.00030  -0.00100  -0.00086  -0.00195   2.64599
   R15        2.74111   0.00181   0.01196   0.00734   0.01978   2.76090
   R16        2.66875  -0.00027  -0.00372  -0.00107  -0.00479   2.66396
   R17        2.75917   0.00016   0.01451   0.00472   0.02004   2.77921
   R18        2.60430   0.00126  -0.00242   0.00742   0.00549   2.60980
   R19        2.46616  -0.00065  -0.01082  -0.00214  -0.01310   2.45305
   R20        2.63668  -0.00022   0.00026  -0.00041  -0.00015   2.63654
   R21        2.04377   0.00028   0.00000   0.00120   0.00120   2.04497
   R22        2.65748  -0.00017  -0.00499  -0.00036  -0.00527   2.65222
   R23        2.66295   0.00011   0.00414   0.00082   0.00496   2.66791
   R24        2.60549   0.00038   0.00389   0.00204   0.00602   2.61151
   R25        2.04770  -0.00004   0.00048   0.00012   0.00060   2.04830
   R26        2.04475  -0.00037   0.00118  -0.00219  -0.00101   2.04374
   R27        2.67419  -0.00083   0.00662   0.00281   0.00958   2.68377
   R28        3.46777  -0.00262  -0.02843  -0.00782  -0.03626   3.43152
   R29        2.68836  -0.00068  -0.00690  -0.00054  -0.00779   2.68057
   R30        2.65893   0.00009  -0.00452   0.00059  -0.00391   2.65502
   R31        2.58327   0.00052   0.01552   0.00165   0.01668   2.59995
   R32        2.66437  -0.00053  -0.00628  -0.00157  -0.00788   2.65649
   R33        2.61727  -0.00006   0.00489   0.00054   0.00546   2.62272
   R34        2.03373   0.00031   0.00220  -0.00138   0.00082   2.03455
   R35        2.66209   0.00023  -0.00713  -0.00057  -0.00769   2.65440
   R36        2.04897   0.00002  -0.00035   0.00002  -0.00033   2.04864
   R37        2.61680   0.00006   0.00513   0.00028   0.00539   2.62219
   R38        2.67554  -0.00063   0.00396  -0.00117   0.00278   2.67832
   R39        2.04747  -0.00001  -0.00027  -0.00009  -0.00036   2.04711
   R40        2.64769   0.00044  -0.00209   0.00177  -0.00032   2.64737
   R41        2.64493   0.00050  -0.00218   0.00204  -0.00015   2.64478
   R42        2.65702   0.00009  -0.00465   0.00044  -0.00420   2.65282
   R43        2.65580  -0.00024  -0.00381   0.00015  -0.00365   2.65215
   R44        2.65055   0.00042  -0.00463   0.00173  -0.00288   2.64766
   R45        2.64758   0.00031  -0.00253   0.00141  -0.00110   2.64648
   R46        2.67604   0.00004   0.00068   0.00028   0.00096   2.67700
   R47        2.64039   0.00007  -0.00105   0.00047  -0.00058   2.63980
   R48        2.73808   0.00000  -0.00107   0.00025  -0.00083   2.73725
   R49        2.64366   0.00008  -0.00068   0.00035  -0.00033   2.64333
   R50        2.67785  -0.00002   0.00037   0.00019   0.00055   2.67839
   R51        2.64358  -0.00006   0.00026  -0.00007   0.00019   2.64377
   R52        2.64068  -0.00011  -0.00016   0.00021   0.00005   2.64073
   R53        2.67880  -0.00007  -0.00070   0.00008  -0.00061   2.67819
   R54        2.64040   0.00006  -0.00048   0.00055   0.00008   2.64048
   R55        2.73763  -0.00011  -0.00051  -0.00018  -0.00069   2.73694
   R56        2.64527  -0.00004  -0.00018  -0.00003  -0.00021   2.64506
   R57        2.68076  -0.00017   0.00063  -0.00059   0.00005   2.68081
   R58        2.64432   0.00005  -0.00079   0.00029  -0.00050   2.64382
   R59        2.64020   0.00005  -0.00069   0.00043  -0.00026   2.63994
   R60        2.67879  -0.00015   0.00073  -0.00019   0.00054   2.67933
   R61        2.64020   0.00001  -0.00022   0.00039   0.00017   2.64037
   R62        2.73728   0.00003  -0.00141   0.00017  -0.00126   2.73603
   R63        2.64493  -0.00004  -0.00021  -0.00011  -0.00033   2.64460
   R64        2.67957  -0.00014   0.00037  -0.00029   0.00009   2.67966
   R65        2.64427   0.00000  -0.00008   0.00009   0.00001   2.64428
   R66        2.64066   0.00002  -0.00000   0.00032   0.00032   2.64097
   R67        2.62992   0.00012  -0.00135   0.00059  -0.00076   2.62916
   R68        2.05239   0.00001  -0.00004   0.00012   0.00008   2.05247
   R69        2.65332   0.00003   0.00035   0.00007   0.00042   2.65375
   R70        2.05140  -0.00005   0.00032  -0.00016   0.00016   2.05155
   R71        2.63371  -0.00003  -0.00058   0.00016  -0.00042   2.63329
   R72        2.05210  -0.00002   0.00100   0.00004   0.00104   2.05314
   R73        2.04809   0.00009  -0.00036   0.00030  -0.00006   2.04803
   R74        2.63364  -0.00006  -0.00024   0.00004  -0.00021   2.63343
   R75        2.04949  -0.00030   0.00212  -0.00122   0.00090   2.05039
   R76        2.65408   0.00004  -0.00022   0.00016  -0.00007   2.65401
   R77        2.05185   0.00001   0.00005   0.00012   0.00017   2.05202
   R78        2.63007  -0.00003  -0.00035   0.00013  -0.00022   2.62985
   R79        2.05141  -0.00001   0.00010  -0.00004   0.00006   2.05147
   R80        2.05244   0.00000   0.00001   0.00007   0.00007   2.05251
   R81        2.63034  -0.00003  -0.00012   0.00004  -0.00009   2.63025
   R82        2.05322  -0.00018   0.00178  -0.00098   0.00080   2.05402
   R83        2.65466   0.00002  -0.00067   0.00011  -0.00056   2.65410
   R84        2.05145  -0.00000   0.00009   0.00008   0.00017   2.05162
   R85        2.63272   0.00002  -0.00057   0.00041  -0.00016   2.63256
   R86        2.05237  -0.00003   0.00003  -0.00003  -0.00001   2.05236
   R87        2.04921   0.00004  -0.00062   0.00033  -0.00030   2.04891
   R88        2.63228   0.00003  -0.00054   0.00027  -0.00027   2.63201
   R89        2.04920  -0.00002  -0.00016   0.00013  -0.00003   2.04917
   R90        2.65625  -0.00018  -0.00004  -0.00033  -0.00037   2.65588
   R91        2.05206  -0.00000  -0.00003   0.00006   0.00003   2.05208
   R92        2.62944   0.00002  -0.00075   0.00016  -0.00059   2.62885
   R93        2.05150   0.00000  -0.00000   0.00000   0.00000   2.05151
   R94        2.05276  -0.00001  -0.00001   0.00001   0.00000   2.05276
   R95        2.63009   0.00005  -0.00105   0.00036  -0.00070   2.62939
   R96        2.05273  -0.00006   0.00034  -0.00017   0.00017   2.05290
   R97        2.65482  -0.00013   0.00009  -0.00025  -0.00016   2.65465
   R98        2.05135  -0.00001   0.00003   0.00007   0.00010   2.05145
   R99        2.63320   0.00003  -0.00057   0.00027  -0.00030   2.63289
   R100       2.05228  -0.00001   0.00020   0.00003   0.00024   2.05252
   R101       2.04914   0.00005  -0.00081   0.00049  -0.00032   2.04882
   R102       2.63300  -0.00009   0.00011  -0.00017  -0.00006   2.63294
   R103       2.04871   0.00005  -0.00040   0.00013  -0.00026   2.04845
   R104       2.65496   0.00002  -0.00082   0.00022  -0.00061   2.65434
   R105       2.05190   0.00001  -0.00006   0.00012   0.00006   2.05196
   R106       2.62952  -0.00004  -0.00021   0.00003  -0.00019   2.62933
   R107       2.05140  -0.00002   0.00014  -0.00020  -0.00006   2.05134
   R108       2.05254   0.00001   0.00000   0.00023   0.00024   2.05277
   R109       2.77286  -0.00015  -0.00008   0.00021   0.00012   2.77298
   R110       2.99573  -0.00095   0.01301   0.00192   0.01493   3.01066
   R111       3.02317  -0.00073  -0.00938   0.00182  -0.00756   3.01561
   R112       2.80711  -0.00179  -0.00693  -0.00172  -0.00865   2.79845
   R113       2.73519   0.00043   0.00159   0.00329   0.00488   2.74007
   R114       2.85514   0.00018  -0.00246   0.00327   0.00080   2.85594
   R115       2.06264  -0.00072   0.00403  -0.00688  -0.00285   2.05979
   R116       2.06571  -0.00014   0.00152  -0.00127   0.00025   2.06596
   R117       2.06906  -0.00003  -0.00049  -0.00007  -0.00056   2.06850
   R118       2.06770   0.00002   0.00142  -0.00033   0.00110   2.06879
   R119       2.06349   0.00006  -0.00001   0.00027   0.00026   2.06375
   R120       2.86591   0.00028  -0.00248   0.00188  -0.00060   2.86532
   R121       2.06617   0.00033  -0.00003   0.00016   0.00013   2.06630
   R122       2.06847  -0.00015  -0.00036  -0.00094  -0.00130   2.06717
   R123       2.06851  -0.00002   0.00038  -0.00003   0.00034   2.06885
   R124       2.06522  -0.00003  -0.00002  -0.00013  -0.00015   2.06507
   R125       2.06580  -0.00003   0.00043  -0.00008   0.00035   2.06616
   R126       5.12051   0.00069   0.00949  -0.03483  -0.02534   5.09517
    A1        2.09340  -0.00002  -0.00051  -0.00050  -0.00105   2.09234
    A2        2.09602  -0.00010   0.00194  -0.00109   0.00087   2.09689
    A3        2.09377   0.00012  -0.00143   0.00159   0.00018   2.09394
    A4        2.11042  -0.00015  -0.00092  -0.00176  -0.00310   2.10733
    A5        2.06081   0.00039   0.00211   0.00480   0.00707   2.06788
    A6        2.11145  -0.00023  -0.00161  -0.00291  -0.00437   2.10708
    A7        2.06960   0.00040   0.00081   0.00357   0.00472   2.07433
    A8        2.14431  -0.00065   0.00528  -0.00373   0.00290   2.14721
    A9        2.06734   0.00024  -0.00593  -0.00006  -0.00770   2.05964
   A10        2.09634  -0.00017   0.00009  -0.00192  -0.00185   2.09449
   A11        2.09885   0.00008  -0.00235  -0.00050  -0.00411   2.09474
   A12        2.08743   0.00009   0.00165   0.00228   0.00479   2.09221
   A13        2.10572  -0.00007  -0.00110  -0.00022  -0.00158   2.10414
   A14        2.06773   0.00002   0.00293  -0.00037   0.00269   2.07041
   A15        2.10960   0.00005  -0.00191   0.00062  -0.00116   2.10844
   A16        2.08917   0.00001   0.00042   0.00077   0.00118   2.09035
   A17        2.08662  -0.00002   0.00101  -0.00050   0.00047   2.08709
   A18        2.10732   0.00001  -0.00154  -0.00025  -0.00183   2.10550
   A19        2.09750   0.00021  -0.00192   0.00136  -0.00191   2.09559
   A20        2.11277  -0.00083  -0.00184  -0.00670  -0.00783   2.10494
   A21        2.07067   0.00062   0.00270   0.00497   0.00798   2.07865
   A22        2.08601  -0.00046  -0.00177  -0.00180  -0.00417   2.08184
   A23        2.06845  -0.00043   0.00057  -0.00430  -0.00405   2.06441
   A24        2.12378   0.00088  -0.00160   0.00557   0.00401   2.12779
   A25        2.02877   0.00002  -0.01904  -0.00393  -0.02606   2.00271
   A26        2.13735   0.00129  -0.00658   0.00178  -0.00890   2.12845
   A27        2.07125  -0.00128  -0.00167  -0.00398  -0.00811   2.06314
   A28        2.06449  -0.00021  -0.01074  -0.00017  -0.01185   2.05263
   A29        2.07654  -0.00017   0.00741  -0.00333   0.00348   2.08002
   A30        2.14201   0.00039   0.00427   0.00368   0.00812   2.15013
   A31        2.12352  -0.00017  -0.00046  -0.00172  -0.00248   2.12104
   A32        2.09610  -0.00008  -0.00158  -0.00147  -0.00303   2.09308
   A33        2.06350   0.00025   0.00193   0.00317   0.00512   2.06863
   A34        2.08336  -0.00013  -0.00084  -0.00127  -0.00218   2.08117
   A35        2.10694  -0.00045   0.00105  -0.00260  -0.00155   2.10539
   A36        2.09228   0.00057  -0.00045   0.00376   0.00331   2.09558
   A37        2.08922   0.00003   0.00145   0.00093   0.00241   2.09163
   A38        2.09129  -0.00004   0.00083  -0.00076   0.00004   2.09133
   A39        2.10218   0.00001  -0.00249  -0.00020  -0.00272   2.09946
   A40        2.12465   0.00008  -0.00088   0.00113   0.00017   2.12482
   A41        2.09500  -0.00004   0.00661  -0.00140   0.00521   2.10021
   A42        2.06150  -0.00004  -0.00642   0.00042  -0.00600   2.05550
   A43        2.06278   0.00077   0.00470   0.00193   0.00681   2.06959
   A44        2.04845  -0.00071   0.01463   0.00585   0.01927   2.06772
   A45        2.10373  -0.00028  -0.00677   0.00391  -0.00427   2.09947
   A46        2.06590   0.00018  -0.00024   0.00128   0.00123   2.06713
   A47        2.16170  -0.00053  -0.00327   0.00073  -0.00264   2.15907
   A48        2.05374   0.00035   0.00388  -0.00233   0.00144   2.05518
   A49        2.14018  -0.00051  -0.00042  -0.00006  -0.00092   2.13927
   A50        2.09830   0.00032  -0.00129   0.00345   0.00232   2.10062
   A51        2.04432   0.00018   0.00170  -0.00322  -0.00125   2.04306
   A52        2.06164   0.00046   0.00160   0.00246   0.00364   2.06528
   A53        2.11572  -0.00054  -0.00144   0.00013  -0.00132   2.11440
   A54        2.11066   0.00033   0.00030   0.00257   0.00287   2.11353
   A55        2.05529   0.00022   0.00073  -0.00241  -0.00169   2.05361
   A56        2.11356   0.00015  -0.00206   0.00153  -0.00054   2.11302
   A57        2.08585  -0.00004  -0.00177  -0.00015  -0.00193   2.08393
   A58        2.08366  -0.00011   0.00380  -0.00139   0.00242   2.08608
   A59        2.06972   0.00003   0.00027  -0.00118  -0.00096   2.06875
   A60        2.09741   0.00011   0.00218   0.00166   0.00386   2.10127
   A61        2.11581  -0.00014  -0.00236  -0.00043  -0.00278   2.11303
   A62        2.11339  -0.00029   0.00055  -0.00065  -0.00018   2.11321
   A63        2.04807   0.00011   0.00246  -0.00042   0.00206   2.05013
   A64        2.12167   0.00019  -0.00296   0.00112  -0.00182   2.11984
   A65        2.19040   0.00025  -0.00202   0.00191  -0.00012   2.19029
   A66        2.20032  -0.00019   0.00286  -0.00193   0.00092   2.20124
   A67        1.89235  -0.00006  -0.00079   0.00002  -0.00077   1.89158
   A68        2.18469   0.00043  -0.00020   0.00213   0.00183   2.18652
   A69        2.20854  -0.00051  -0.00013  -0.00253  -0.00275   2.20579
   A70        1.88994   0.00008   0.00031   0.00040   0.00067   1.89061
   A71        2.19916  -0.00012   0.00008  -0.00074  -0.00083   2.19833
   A72        2.19195   0.00015  -0.00011   0.00079   0.00051   2.19246
   A73        1.89207  -0.00003   0.00022  -0.00003   0.00013   1.89220
   A74        1.89986  -0.00010   0.00127  -0.00046   0.00082   1.90069
   A75        2.25944   0.00005  -0.00029  -0.00015  -0.00048   2.25896
   A76        2.12279   0.00006  -0.00060   0.00062   0.00001   2.12279
   A77        1.86766   0.00001  -0.00155   0.00024  -0.00131   1.86635
   A78        2.08779  -0.00009   0.00031  -0.00068  -0.00036   2.08742
   A79        2.32765   0.00008   0.00134   0.00041   0.00173   2.32938
   A80        1.86832  -0.00001  -0.00065   0.00004  -0.00061   1.86771
   A81        2.32638   0.00011   0.00045   0.00050   0.00094   2.32732
   A82        2.08837  -0.00010   0.00016  -0.00057  -0.00042   2.08795
   A83        1.89898   0.00002   0.00062  -0.00022   0.00042   1.89940
   A84        2.26405  -0.00022   0.00007  -0.00072  -0.00067   2.26338
   A85        2.11898   0.00019  -0.00061   0.00086   0.00025   2.11923
   A86        1.90099  -0.00017   0.00164  -0.00094   0.00070   1.90170
   A87        2.25695   0.00016  -0.00034   0.00119   0.00084   2.25779
   A88        2.12481   0.00000  -0.00111  -0.00034  -0.00145   2.12336
   A89        1.86527   0.00019  -0.00105   0.00089  -0.00016   1.86511
   A90        2.08526  -0.00006   0.00109  -0.00012   0.00096   2.08622
   A91        2.33256  -0.00013   0.00004  -0.00074  -0.00073   2.33183
   A92        1.86532   0.00014  -0.00058   0.00046  -0.00012   1.86520
   A93        2.33289  -0.00015   0.00028  -0.00088  -0.00062   2.33227
   A94        2.08494   0.00001   0.00036   0.00042   0.00078   2.08572
   A95        1.90084  -0.00011   0.00077  -0.00043   0.00033   1.90118
   A96        2.25979   0.00010   0.00029   0.00071   0.00097   2.26077
   A97        2.12223   0.00001  -0.00078  -0.00037  -0.00116   2.12107
   A98        1.89967  -0.00012   0.00110  -0.00055   0.00058   1.90025
   A99        2.26064  -0.00003   0.00091   0.00008   0.00095   2.26159
   A100       2.12241   0.00014  -0.00180   0.00037  -0.00144   2.12097
   A101       1.86657   0.00012  -0.00108   0.00052  -0.00056   1.86601
   A102       2.08660  -0.00009   0.00083  -0.00033   0.00050   2.08710
   A103       2.32996  -0.00003   0.00031  -0.00021   0.00009   2.33005
   A104       1.86586   0.00011  -0.00063   0.00044  -0.00020   1.86566
   A105       2.33151  -0.00010   0.00065  -0.00076  -0.00014   2.33137
   A106       2.08572  -0.00001   0.00008   0.00036   0.00043   2.08615
   A107       1.90059  -0.00009   0.00040  -0.00037   0.00006   1.90065
   A108       2.26049   0.00004   0.00055   0.00035   0.00087   2.26136
   A109       2.12166   0.00005  -0.00084  -0.00003  -0.00088   2.12078
   A110       2.07966  -0.00000   0.00001   0.00021   0.00023   2.07989
   A111       2.10016  -0.00003   0.00046  -0.00063  -0.00016   2.10000
   A112       2.10333   0.00004  -0.00049   0.00042  -0.00006   2.10327
   A113       2.10339  -0.00000   0.00020  -0.00014   0.00006   2.10345
   A114       2.09204   0.00001  -0.00023   0.00019  -0.00004   2.09200
   A115       2.08774  -0.00000   0.00003  -0.00006  -0.00003   2.08771
   A116       2.11952   0.00001  -0.00019   0.00032   0.00013   2.11965
   A117       2.08567   0.00003  -0.00071   0.00038  -0.00034   2.08533
   A118       2.07798  -0.00005   0.00088  -0.00070   0.00017   2.07815
   A119       2.05604  -0.00009   0.00050  -0.00068  -0.00018   2.05586
   A120       2.12142  -0.00005  -0.00050  -0.00023  -0.00073   2.12069
   A121       2.10566   0.00015   0.00004   0.00090   0.00094   2.10660
   A122       2.05237  -0.00002   0.00062  -0.00032   0.00030   2.05267
   A123       2.12245   0.00002  -0.00176   0.00038  -0.00139   2.12107
   A124       2.10825   0.00001   0.00119  -0.00006   0.00112   2.10937
   A125       2.12068  -0.00000  -0.00014  -0.00003  -0.00018   2.12050
   A126       2.07586   0.00008  -0.00051   0.00097   0.00046   2.07632
   A127       2.08662  -0.00008   0.00067  -0.00094  -0.00027   2.08635
   A128       2.10426   0.00003  -0.00006   0.00016   0.00011   2.10436
   A129       2.08718   0.00001  -0.00027   0.00030   0.00003   2.08722
   A130       2.09171  -0.00003   0.00034  -0.00048  -0.00014   2.09156
   A131       2.07810   0.00003   0.00002   0.00024   0.00025   2.07836
   A132       2.10111  -0.00004   0.00089  -0.00065   0.00023   2.10134
   A133       2.10395   0.00001  -0.00089   0.00042  -0.00047   2.10347
   A134       2.08055   0.00000  -0.00001  -0.00014  -0.00014   2.08040
   A135       2.10054  -0.00008   0.00095  -0.00083   0.00012   2.10066
   A136       2.10210   0.00008  -0.00094   0.00097   0.00002   2.10212
   A137       2.10430   0.00000  -0.00016   0.00005  -0.00011   2.10419
   A138       2.09111   0.00007  -0.00081   0.00087   0.00005   2.09117
   A139       2.08777  -0.00007   0.00097  -0.00092   0.00005   2.08782
   A140       2.11916  -0.00004   0.00012  -0.00023  -0.00012   2.11904
   A141       2.08484   0.00007   0.00006   0.00083   0.00088   2.08572
   A142       2.07919  -0.00003  -0.00018  -0.00060  -0.00079   2.07840
   A143       2.05510   0.00001   0.00054   0.00023   0.00078   2.05588
   A144       2.11574   0.00008  -0.00026   0.00098   0.00071   2.11646
   A145       2.11232  -0.00009  -0.00027  -0.00121  -0.00148   2.11084
   A146       2.05206   0.00001   0.00037   0.00033   0.00069   2.05275
   A147       2.11923  -0.00001  -0.00015  -0.00039  -0.00055   2.11868
   A148       2.11184  -0.00000  -0.00024   0.00005  -0.00019   2.11164
   A149       2.12035  -0.00004   0.00049  -0.00025   0.00024   2.12059
   A150       2.07828  -0.00008   0.00127  -0.00118   0.00009   2.07838
   A151       2.08454   0.00011  -0.00177   0.00143  -0.00034   2.08420
   A152       2.10502   0.00002  -0.00063   0.00001  -0.00062   2.10440
   A153       2.08655   0.00000   0.00032  -0.00006   0.00026   2.08681
   A154       2.09159  -0.00002   0.00032   0.00005   0.00037   2.09197
   A155       2.07874   0.00005  -0.00021   0.00032   0.00012   2.07886
   A156       2.10057  -0.00001  -0.00002  -0.00007  -0.00009   2.10048
   A157       2.10386  -0.00004   0.00022  -0.00026  -0.00005   2.10381
   A158       2.08042  -0.00003   0.00048  -0.00040   0.00009   2.08051
   A159       2.10050  -0.00006   0.00071  -0.00079  -0.00009   2.10041
   A160       2.10226   0.00008  -0.00120   0.00119  -0.00002   2.10223
   A161       2.10417   0.00003  -0.00031   0.00014  -0.00018   2.10400
   A162       2.09216  -0.00006   0.00087  -0.00072   0.00015   2.09232
   A163       2.08681   0.00004  -0.00056   0.00060   0.00004   2.08685
   A164       2.11896  -0.00000   0.00003   0.00015   0.00018   2.11914
   A165       2.08531   0.00000  -0.00014  -0.00013  -0.00027   2.08504
   A166       2.07890  -0.00000   0.00011  -0.00002   0.00010   2.07899
   A167       2.05529  -0.00004   0.00058  -0.00026   0.00033   2.05562
   A168       2.11816   0.00006  -0.00074   0.00066  -0.00008   2.11808
   A169       2.10970  -0.00002   0.00016  -0.00040  -0.00025   2.10945
   A170       2.05379  -0.00010   0.00141  -0.00049   0.00092   2.05472
   A171       2.12036   0.00006  -0.00091   0.00041  -0.00050   2.11986
   A172       2.10902   0.00003  -0.00049   0.00008  -0.00041   2.10861
   A173       2.11997   0.00003  -0.00046   0.00045  -0.00001   2.11996
   A174       2.07758  -0.00005   0.00094  -0.00074   0.00020   2.07778
   A175       2.08563   0.00002  -0.00048   0.00029  -0.00019   2.08544
   A176       2.10462  -0.00003   0.00011  -0.00047  -0.00037   2.10425
   A177       2.08699   0.00000   0.00000   0.00018   0.00018   2.08718
   A178       2.09157   0.00002  -0.00011   0.00029   0.00017   2.09174
   A179       2.07887   0.00004  -0.00008   0.00042   0.00034   2.07921
   A180       2.10091  -0.00007   0.00091  -0.00093  -0.00002   2.10088
   A181       2.10340   0.00003  -0.00084   0.00052  -0.00032   2.10307
   A182       1.96299  -0.00121  -0.00144  -0.00478  -0.00602   1.95697
   A183       1.80186  -0.00156   0.02009   0.01446   0.03460   1.83646
   A184       1.80281   0.00120  -0.01747  -0.00313  -0.02038   1.78243
   A185       2.07250  -0.00024  -0.01997  -0.00342  -0.02333   2.04916
   A186       1.95350   0.00198   0.01844   0.01627   0.03464   1.98814
   A187       1.84468  -0.00016  -0.00008  -0.02040  -0.02020   1.82448
   A188       2.11343  -0.00842  -0.02067  -0.00749  -0.02817   2.08526
   A189       2.31561  -0.00440  -0.00244  -0.01451  -0.01695   2.29866
   A190       1.89151   0.00048   0.01167   0.00015   0.01184   1.90335
   A191       1.89178  -0.00355   0.01056  -0.01045   0.00014   1.89192
   A192       1.83405   0.00161  -0.00248   0.00435   0.00190   1.83595
   A193       1.94586   0.00112  -0.00901   0.00275  -0.00633   1.93953
   A194       1.96831  -0.00081  -0.00513  -0.00072  -0.00591   1.96240
   A195       1.92711   0.00100  -0.00391   0.00337  -0.00062   1.92649
   A196       1.89901  -0.00021   0.00134  -0.00259  -0.00125   1.89775
   A197       1.94675   0.00034  -0.00412   0.00536   0.00124   1.94800
   A198       1.92195  -0.00005   0.00598   0.00063   0.00661   1.92856
   A199       1.89148  -0.00008   0.00270  -0.00159   0.00110   1.89258
   A200       1.88621   0.00006  -0.00457  -0.00084  -0.00541   1.88081
   A201       1.91709  -0.00007  -0.00141  -0.00120  -0.00262   1.91447
   A202       1.87795   0.00060   0.00162   0.00482   0.00643   1.88438
   A203       1.89739  -0.00053  -0.00435  -0.00515  -0.00950   1.88788
   A204       1.90144  -0.00017  -0.00122  -0.00017  -0.00144   1.90000
   A205       1.93874   0.00024  -0.00066   0.00163   0.00098   1.93972
   A206       1.94213  -0.00001   0.00463   0.00049   0.00511   1.94724
   A207       1.90520  -0.00015  -0.00022  -0.00173  -0.00197   1.90323
   A208       1.91187   0.00008  -0.00158   0.00105  -0.00055   1.91132
   A209       1.93289   0.00004   0.00688   0.00100   0.00788   1.94077
   A210       1.93368  -0.00000  -0.00624  -0.00070  -0.00695   1.92674
   A211       1.89643  -0.00005   0.00164  -0.00037   0.00125   1.89769
   A212       1.89334  -0.00009  -0.00005  -0.00159  -0.00167   1.89167
   A213       1.89477   0.00001  -0.00061   0.00055  -0.00004   1.89473
   A214       2.26137  -0.00467   0.06248  -0.00357   0.05891   2.32028
    D1        0.00958  -0.00007   0.00505  -0.00388   0.00123   0.01081
    D2        3.11734  -0.00000  -0.01092   0.00064  -0.01027   3.10707
    D3       -3.13234  -0.00009   0.01075  -0.00692   0.00388  -3.12846
    D4       -0.02458  -0.00003  -0.00523  -0.00240  -0.00763  -0.03220
    D5       -0.03483  -0.00002  -0.01555   0.00010  -0.01544  -0.05027
    D6        3.11941  -0.00002  -0.00214  -0.00233  -0.00447   3.11494
    D7        3.10709   0.00001  -0.02124   0.00313  -0.01808   3.08901
    D8       -0.02185   0.00000  -0.00784   0.00071  -0.00712  -0.02897
    D9        2.16598   0.00037  -0.01359   0.02280   0.00921   2.17519
   D10       -0.99397   0.00038  -0.00984   0.02254   0.01270  -0.98127
   D11       -0.97593   0.00035  -0.00789   0.01976   0.01186  -0.96407
   D12        2.14730   0.00036  -0.00414   0.01950   0.01535   2.16265
   D13        0.03866   0.00009   0.01415   0.00443   0.01855   0.05721
   D14       -3.03504   0.00009   0.01164   0.00840   0.02015  -3.01490
   D15       -3.06811   0.00001   0.03053  -0.00038   0.03009  -3.03802
   D16        0.14137   0.00001   0.02802   0.00359   0.03169   0.17305
   D17       -0.06222  -0.00001  -0.02309  -0.00116  -0.02429  -0.08651
   D18        3.04291  -0.00018  -0.04575  -0.00570  -0.05125   2.99167
   D19        3.01452  -0.00006  -0.02025  -0.00511  -0.02542   2.98911
   D20       -0.16353  -0.00022  -0.04292  -0.00965  -0.05237  -0.21591
   D21       -2.97964   0.00017   0.08736   0.00341   0.09092  -2.88871
   D22        0.23482   0.00019   0.10558   0.00932   0.11497   0.34980
   D23        0.22976   0.00017   0.08460   0.00724   0.09205   0.32181
   D24       -2.83897   0.00019   0.10282   0.01315   0.11610  -2.72286
   D25        0.03805  -0.00009   0.01293  -0.00269   0.01023   0.04828
   D26       -3.12124  -0.00005   0.00746  -0.00044   0.00701  -3.11423
   D27       -3.06732   0.00008   0.03550   0.00187   0.03733  -3.02999
   D28        0.05657   0.00012   0.03003   0.00413   0.03412   0.09069
   D29       -0.20701  -0.00000  -0.04241   0.00206  -0.04046  -0.24747
   D30        2.91634   0.00056  -0.00537   0.01313   0.00740   2.92374
   D31        2.89831  -0.00017  -0.06498  -0.00254  -0.06752   2.83079
   D32       -0.26152   0.00039  -0.02793   0.00853  -0.01966  -0.28119
   D33        0.01100   0.00009   0.00656   0.00314   0.00966   0.02066
   D34        3.13979   0.00009  -0.00700   0.00559  -0.00141   3.13838
   D35       -3.11246   0.00005   0.01211   0.00083   0.01290  -3.09956
   D36        0.01633   0.00005  -0.00145   0.00329   0.00184   0.01816
   D37        0.08307   0.00001  -0.03729   0.00305  -0.03386   0.04921
   D38       -2.95370   0.00009  -0.00500   0.00833   0.00344  -2.95026
   D39       -3.12965  -0.00007  -0.05524  -0.00320  -0.05820   3.09534
   D40        0.11677   0.00001  -0.02294   0.00209  -0.02090   0.09587
   D41        3.01584  -0.00002   0.00052  -0.00544  -0.00502   3.01083
   D42       -0.11393   0.00002   0.01853  -0.00288   0.01552  -0.09840
   D43       -0.05398   0.00002   0.01862   0.00052   0.01920  -0.03478
   D44        3.09944   0.00006   0.03664   0.00307   0.03974   3.13918
   D45       -0.44744  -0.00020  -0.04589  -0.00939  -0.05457  -0.50201
   D46        3.01938  -0.00005   0.05738   0.01252   0.06913   3.08851
   D47        2.58590  -0.00037  -0.07913  -0.01547  -0.09380   2.49210
   D48       -0.23046  -0.00022   0.02414   0.00643   0.02990  -0.20057
   D49       -0.09135  -0.00003   0.00837  -0.00341   0.00497  -0.08637
   D50        2.98032  -0.00006  -0.00429  -0.00079  -0.00511   2.97521
   D51       -3.12574   0.00014   0.04141   0.00248   0.04384  -3.08190
   D52       -0.05407   0.00011   0.02874   0.00509   0.03376  -0.02031
   D53        0.50853   0.00016   0.08497   0.00701   0.09110   0.59963
   D54       -2.61409  -0.00042   0.04639  -0.00442   0.04122  -2.57287
   D55       -2.94540   0.00051  -0.01487  -0.01290  -0.02767  -2.97307
   D56        0.21516  -0.00006  -0.05345  -0.02433  -0.07755   0.13761
   D57        2.71039  -0.00022  -0.06149  -0.01983  -0.08181   2.62858
   D58       -0.81699  -0.00091  -0.03004   0.01260  -0.01735  -0.83435
   D59       -0.09844  -0.00032   0.04677   0.00254   0.04913  -0.04931
   D60        2.65737  -0.00101   0.07823   0.03497   0.11359   2.77096
   D61        3.02613  -0.00030  -0.01074   0.01179   0.00066   3.02678
   D62       -0.13456   0.00028   0.02771   0.02333   0.05112  -0.08344
   D63       -0.03849  -0.00005   0.00096  -0.00205  -0.00105  -0.03954
   D64        3.14094   0.00002   0.00893   0.00107   0.01002  -3.13222
   D65        3.09149  -0.00009  -0.01674  -0.00459  -0.02137   3.07013
   D66       -0.01226  -0.00002  -0.00877  -0.00147  -0.01029  -0.02255
   D67        0.06652   0.00000  -0.01622   0.00054  -0.01566   0.05086
   D68       -3.04141   0.00006  -0.00888   0.00148  -0.00740  -3.04881
   D69       -3.11259  -0.00009  -0.02409  -0.00269  -0.02678  -3.13937
   D70        0.06266  -0.00004  -0.01675  -0.00176  -0.01851   0.04415
   D71       -2.30714   0.00001   0.02121   0.00041   0.02162  -2.28553
   D72        0.84133   0.00002   0.04162   0.00123   0.04283   0.88416
   D73        0.87248   0.00010   0.02923   0.00366   0.03290   0.90538
   D74       -2.26223   0.00011   0.04964   0.00447   0.05412  -2.20811
   D75       -0.00092   0.00005   0.01139   0.00235   0.01376   0.01283
   D76       -3.07388   0.00008   0.02336  -0.00014   0.02316  -3.05072
   D77        3.10680  -0.00000   0.00406   0.00140   0.00551   3.11230
   D78        0.03384   0.00003   0.01604  -0.00109   0.01492   0.04875
   D79       -0.07307   0.00037  -0.01976   0.01707  -0.00293  -0.07600
   D80        3.13534   0.00042  -0.02648   0.02308  -0.00361   3.13173
   D81       -2.81622   0.00117  -0.05746  -0.01684  -0.07403  -2.89025
   D82        0.39219   0.00122  -0.06418  -0.01084  -0.07471   0.31748
   D83       -0.00650  -0.00008  -0.00876   0.02317   0.01427   0.00777
   D84       -2.26137   0.00212   0.00270   0.02004   0.02240  -2.23896
   D85        2.10294   0.00241   0.00176   0.03827   0.04002   2.14295
   D86        2.73982  -0.00055   0.02641   0.05595   0.08255   2.82237
   D87        0.48495   0.00166   0.03787   0.05282   0.09069   0.57563
   D88       -1.43393   0.00195   0.03694   0.07105   0.10830  -1.32563
   D89        0.15936  -0.00004  -0.00536  -0.01812  -0.02342   0.13594
   D90       -3.01254  -0.00020  -0.00557  -0.01134  -0.01689  -3.02944
   D91       -3.04489  -0.00013   0.00066  -0.02364  -0.02294  -3.06783
   D92        0.06640  -0.00029   0.00046  -0.01686  -0.01641   0.04998
   D93        3.03964   0.00011   0.00614   0.00646   0.01256   3.05220
   D94       -0.16231   0.00032  -0.00236   0.01211   0.00974  -0.15257
   D95       -0.03556   0.00017  -0.00039   0.01229   0.01189  -0.02367
   D96        3.04568   0.00039  -0.00889   0.01795   0.00907   3.05474
   D97       -0.05278  -0.00034   0.00105  -0.00267  -0.00164  -0.05442
   D98        3.11824  -0.00019   0.00130  -0.00936  -0.00802   3.11022
   D99       -0.04836   0.00022   0.00217   0.00925   0.01141  -0.03695
   D100       3.10454   0.00018  -0.00221   0.00420   0.00199   3.10653
   D101       3.06455   0.00005   0.00194   0.01571   0.01759   3.08214
   D102      -0.06573   0.00002  -0.00243   0.01066   0.00817  -0.05756
   D103      -0.01469   0.00006  -0.00227   0.00025  -0.00201  -0.01671
   D104       3.11043   0.00005  -0.00475  -0.00048  -0.00521   3.10522
   D105      -3.09778  -0.00016   0.00597  -0.00540   0.00056  -3.09722
   D106       0.02734  -0.00016   0.00349  -0.00613  -0.00263   0.02470
   D107       0.03432  -0.00015   0.00467  -0.00826  -0.00359   0.03073
   D108      -3.13091  -0.00015   0.00857  -0.00580   0.00279  -3.12812
   D109      -3.09082  -0.00015   0.00719  -0.00755  -0.00035  -3.09117
   D110       0.02714  -0.00014   0.01110  -0.00508   0.00603   0.03316
   D111      -0.00259   0.00001  -0.00464   0.00338  -0.00126  -0.00385
   D112       3.12721   0.00005  -0.00003   0.00864   0.00857   3.13578
   D113      -3.12029   0.00000  -0.00865   0.00086  -0.00777  -3.12806
   D114       0.00951   0.00004  -0.00405   0.00611   0.00206   0.01157
   D115      -2.20148  -0.00006   0.02956  -0.00566   0.02390  -2.17758
   D116       0.94533  -0.00015   0.00562  -0.01074  -0.00511   0.94022
   D117       0.91584  -0.00006   0.03361  -0.00314   0.03047   0.94631
   D118      -2.22053  -0.00015   0.00967  -0.00821   0.00145  -2.21908
   D119       3.12533  -0.00002   0.00058  -0.00094  -0.00037   3.12497
   D120      -0.04799  -0.00007   0.00717  -0.00404   0.00313  -0.04487
   D121      -0.00062  -0.00002  -0.00265  -0.00070  -0.00335  -0.00397
   D122       3.10924  -0.00007   0.00393  -0.00380   0.00014   3.10938
   D123      -3.12409   0.00001  -0.00059   0.00093   0.00034  -3.12376
   D124      -0.00996  -0.00003   0.01044  -0.00269   0.00776  -0.00219
   D125       0.00174   0.00002   0.00261   0.00073   0.00334   0.00508
   D126       3.11588  -0.00002   0.01364  -0.00289   0.01076   3.12664
   D127      -3.13854   0.00006   0.01077   0.00240   0.01320  -3.12534
   D128       0.05346   0.00004   0.00239   0.00204   0.00446   0.05792
   D129      -0.00277   0.00005  -0.00650   0.00169  -0.00480  -0.00757
   D130      -3.09395   0.00003  -0.01488   0.00134  -0.01355  -3.10750
   D131       3.13517  -0.00004  -0.01155  -0.00184  -0.01337   3.12180
   D132       0.04616  -0.00002  -0.01330  -0.00008  -0.01336   0.03280
   D133      -0.00050  -0.00004   0.00602  -0.00115   0.00487   0.00437
   D134      -3.08951  -0.00001   0.00427   0.00062   0.00488  -3.08463
   D135       3.14071  -0.00005  -0.01712  -0.00262  -0.01972   3.12098
   D136       0.03198  -0.00001  -0.02414   0.00103  -0.02310   0.00887
   D137      -0.00536   0.00003   0.00340   0.00174   0.00514  -0.00022
   D138      -3.11409   0.00007  -0.00362   0.00538   0.00176  -3.11233
   D139       3.14056   0.00006   0.01635   0.00294   0.01930  -3.12332
   D140       0.03118   0.00009   0.01224   0.00515   0.01740   0.04859
   D141       0.00342  -0.00002  -0.00406  -0.00138  -0.00545  -0.00203
   D142      -3.10596   0.00001  -0.00817   0.00082  -0.00735  -3.11331
   D143       0.00486  -0.00004   0.00444  -0.00156   0.00287   0.00773
   D144      -3.12444  -0.00000  -0.00254   0.00032  -0.00221  -3.12665
   D145       3.10074  -0.00002   0.01204  -0.00126   0.01078   3.11152
   D146      -0.02856   0.00001   0.00507   0.00063   0.00570  -0.02285
   D147       3.11336   0.00002   0.00405   0.00039   0.00442   3.11778
   D148      -0.01192   0.00001   0.00110   0.00010   0.00120  -0.01073
   D149       0.02780   0.00000  -0.00532   0.00002  -0.00531   0.02249
   D150      -3.09748  -0.00001  -0.00827  -0.00027  -0.00854  -3.10602
   D151      -0.00509   0.00001  -0.00073   0.00085   0.00012  -0.00497
   D152       3.11954  -0.00002  -0.00379  -0.00169  -0.00548   3.11406
   D153       3.12181  -0.00003   0.00759  -0.00142   0.00617   3.12798
   D154      -0.03675  -0.00006   0.00453  -0.00396   0.00057  -0.03618
   D155       0.00910  -0.00003  -0.00099  -0.00145  -0.00245   0.00665
   D156      -3.14027  -0.00004   0.00191  -0.00164   0.00026  -3.14001
   D157      -3.11632   0.00002  -0.01013   0.00104  -0.00911  -3.12543
   D158       0.01749   0.00000  -0.00723   0.00084  -0.00639   0.01110
   D159       0.00347   0.00002  -0.00323   0.00018  -0.00305   0.00042
   D160       3.09768  -0.00002  -0.00163  -0.00147  -0.00310   3.09458
   D161      -3.12392   0.00004  -0.00067   0.00229   0.00162  -3.12230
   D162      -0.02970   0.00000   0.00093   0.00064   0.00157  -0.02813
   D163      -3.11274   0.00003   0.00593   0.00180   0.00774  -3.10500
   D164       0.02014   0.00005   0.00456   0.00328   0.00784   0.02798
   D165       0.01019  -0.00001   0.00256  -0.00098   0.00158   0.01177
   D166      -3.14012   0.00001   0.00119   0.00050   0.00168  -3.13844
   D167       3.11097  -0.00003  -0.00181  -0.00190  -0.00371   3.10725
   D168      -0.01908  -0.00001  -0.00479  -0.00149  -0.00627  -0.02535
   D169       0.02769   0.00000  -0.00379   0.00009  -0.00370   0.02400
   D170      -3.10235   0.00003  -0.00677   0.00051  -0.00626  -3.10861
   D171      -0.00071   0.00001   0.00166   0.00040   0.00206   0.00135
   D172       3.12796   0.00003   0.00690   0.00198   0.00888   3.13684
   D173      -3.11343   0.00005  -0.00434   0.00318  -0.00116  -3.11459
   D174       0.01524   0.00007   0.00089   0.00476   0.00566   0.02090
   D175      -3.12234   0.00001  -0.00679  -0.00009  -0.00688  -3.12923
   D176       0.00768  -0.00002  -0.00949  -0.00165  -0.01113  -0.00345
   D177      -0.01605  -0.00005   0.00058  -0.00354  -0.00296  -0.01902
   D178       3.11397  -0.00008  -0.00211  -0.00510  -0.00721   3.10676
   D179       0.00175   0.00000  -0.00007   0.00005  -0.00002   0.00173
   D180      -3.12933  -0.00001  -0.00687   0.00015  -0.00671  -3.13605
   D181      -3.12430  -0.00002  -0.00638  -0.00186  -0.00823  -3.13253
   D182       0.02780  -0.00003  -0.01318  -0.00176  -0.01493   0.01288
   D183      -0.00299  -0.00004  -0.00165  -0.00275  -0.00441  -0.00740
   D184      -3.14053  -0.00001   0.00063  -0.00068  -0.00005  -3.14058
   D185       3.12152  -0.00002   0.00526  -0.00064   0.00462   3.12613
   D186      -0.01603   0.00001   0.00755   0.00143   0.00897  -0.00705
   D187      -0.00216  -0.00001  -0.00155  -0.00047  -0.00203  -0.00419
   D188      -3.11887   0.00002  -0.01157   0.00278  -0.00879  -3.12766
   D189       3.13070  -0.00001   0.00410  -0.00057   0.00353   3.13423
   D190       0.01399   0.00003  -0.00592   0.00268  -0.00323   0.01076
   D191       3.12635   0.00001   0.01040  -0.00084   0.00955   3.13590
   D192      -0.01182  -0.00000   0.00865  -0.00087   0.00778  -0.00404
   D193      -0.00369  -0.00000   0.00293  -0.00073   0.00220  -0.00150
   D194       3.14133  -0.00001   0.00118  -0.00075   0.00043  -3.14143
   D195      -3.12503   0.00001  -0.00764   0.00104  -0.00660  -3.13164
   D196       0.01007   0.00002  -0.00613   0.00128  -0.00485   0.00522
   D197      -0.01394  -0.00004   0.00464  -0.00297   0.00167  -0.01227
   D198       3.12117  -0.00003   0.00615  -0.00273   0.00341   3.12459
   D199       0.00516  -0.00002  -0.00144  -0.00141  -0.00284   0.00232
   D200      -3.12673  -0.00000  -0.00663  -0.00021  -0.00684  -3.13356
   D201       3.11699  -0.00007   0.00498  -0.00471   0.00027   3.11726
   D202      -0.01489  -0.00004  -0.00022  -0.00351  -0.00373  -0.01863
   D203       3.11866   0.00000   0.00634  -0.00021   0.00614   3.12480
   D204      -0.01719   0.00001   0.00423   0.00031   0.00454  -0.01265
   D205       0.01359   0.00006  -0.00151   0.00386   0.00235   0.01593
   D206      -3.12226   0.00007  -0.00363   0.00438   0.00075  -3.12152
   D207      -0.00302   0.00001  -0.00102   0.00055  -0.00048  -0.00350
   D208       3.12284   0.00006   0.00619   0.00381   0.01000   3.13283
   D209       3.12693  -0.00002   0.00521  -0.00089   0.00432   3.13125
   D210      -0.03040   0.00003   0.01243   0.00237   0.01480  -0.01560
   D211       0.00544  -0.00001   0.00233   0.00020   0.00253   0.00798
   D212      -3.14154   0.00001   0.00163   0.00084   0.00247  -3.13907
   D213      -3.12334   0.00002  -0.00451   0.00177  -0.00274  -3.12608
   D214       0.01286   0.00004  -0.00522   0.00242  -0.00280   0.01006
   D215      -0.00021   0.00000   0.00313   0.00050   0.00363   0.00342
   D216       3.11222  -0.00002   0.00688  -0.00149   0.00539   3.11760
   D217      -3.12870  -0.00004  -0.00289  -0.00220  -0.00509  -3.13379
   D218      -0.01628  -0.00006   0.00086  -0.00419  -0.00333  -0.01961
   D219      -3.12095  -0.00001  -0.00752  -0.00090  -0.00842  -3.12937
   D220       0.01532  -0.00001  -0.01064  -0.00144  -0.01209   0.00323
   D221       0.00334   0.00005   0.00041   0.00268   0.00310   0.00644
   D222       3.13961   0.00005  -0.00271   0.00214  -0.00057   3.13904
   D223       3.12286   0.00001   0.00310   0.00069   0.00379   3.12665
   D224      -0.00863   0.00001   0.00232   0.00096   0.00328  -0.00535
   D225       0.01705   0.00004  -0.00148   0.00314   0.00166   0.01870
   D226      -3.11445   0.00004  -0.00226   0.00342   0.00115  -3.11330
   D227       0.01001   0.00001  -0.00309   0.00058  -0.00251   0.00750
   D228      -3.13858  -0.00001  -0.00346  -0.00037  -0.00383   3.14078
   D229      -3.12285  -0.00001  -0.00172  -0.00089  -0.00261  -3.12546
   D230       0.01174  -0.00004  -0.00208  -0.00185  -0.00393   0.00781
   D231      -0.01179  -0.00000   0.00014   0.00016   0.00030  -0.01148
   D232       3.12549  -0.00002  -0.00493  -0.00054  -0.00546   3.12003
   D233       3.13679   0.00002   0.00051   0.00111   0.00162   3.13841
   D234      -0.00912   0.00000  -0.00456   0.00042  -0.00414  -0.01326
   D235      -0.00707  -0.00000   0.00326  -0.00048   0.00277  -0.00430
   D236       3.12308  -0.00003   0.00620  -0.00090   0.00530   3.12838
   D237       3.13881   0.00002   0.00830   0.00021   0.00852  -3.13586
   D238      -0.01421  -0.00001   0.01125  -0.00021   0.01104  -0.00317
   D239      -0.00853   0.00000   0.00167   0.00019   0.00186  -0.00667
   D240       3.14007   0.00002  -0.00180   0.00067  -0.00113   3.13894
   D241       3.11688   0.00002   0.00456   0.00048   0.00504   3.12192
   D242      -0.01769   0.00003   0.00109   0.00096   0.00205  -0.01565
   D243      -0.01016  -0.00002   0.00225  -0.00103   0.00123  -0.00893
   D244       3.14070   0.00002   0.00081   0.00071   0.00153  -3.14096
   D245       3.12438  -0.00003   0.00574  -0.00151   0.00424   3.12862
   D246      -0.00795   0.00000   0.00430   0.00023   0.00454  -0.00341
   D247       0.00971   0.00003  -0.00256   0.00165  -0.00092   0.00879
   D248      -3.12409   0.00004  -0.00548   0.00185  -0.00363  -3.12773
   D249      -3.14118  -0.00000  -0.00112  -0.00009  -0.00121   3.14079
   D250       0.00821   0.00001  -0.00404   0.00011  -0.00393   0.00427
   D251      -0.00601  -0.00001   0.00108  -0.00082   0.00025  -0.00575
   D252       3.13856  -0.00000  -0.00064   0.00001  -0.00063   3.13793
   D253       3.13216  -0.00000   0.00283  -0.00080   0.00203   3.13418
   D254      -0.00647   0.00001   0.00112   0.00003   0.00115  -0.00532
   D255       0.00595  -0.00000  -0.00233   0.00049  -0.00184   0.00411
   D256      -3.13669   0.00003  -0.01085   0.00185  -0.00900   3.13750
   D257      -3.13860  -0.00001  -0.00063  -0.00034  -0.00096  -3.13957
   D258       0.00194   0.00002  -0.00915   0.00103  -0.00813  -0.00618
   D259       0.00401   0.00003  -0.00052   0.00139   0.00087   0.00487
   D260      -3.13112   0.00001  -0.00203   0.00115  -0.00088  -3.13200
   D261      -3.13654   0.00000   0.00797   0.00003   0.00800  -3.12855
   D262       0.01152  -0.00002   0.00647  -0.00021   0.00625   0.01777
   D263       0.00513   0.00000  -0.00129   0.00043  -0.00086   0.00427
   D264       3.14063   0.00000  -0.00180   0.00025  -0.00155   3.13908
   D265      -3.12494   0.00003   0.00139   0.00198   0.00337  -3.12157
   D266       0.01055   0.00003   0.00088   0.00181   0.00268   0.01324
   D267       0.00670   0.00002   0.00055   0.00148   0.00203   0.00872
   D268       3.14062   0.00002   0.00239   0.00156   0.00395  -3.13861
   D269      -3.12878   0.00002   0.00105   0.00166   0.00271  -3.12606
   D270       0.00515   0.00002   0.00290   0.00174   0.00464   0.00978
   D271      -0.00767  -0.00000   0.00096  -0.00027   0.00068  -0.00698
   D272       3.12987  -0.00003  -0.00133  -0.00235  -0.00368   3.12619
   D273      -3.14157   0.00000  -0.00089  -0.00036  -0.00125   3.14037
   D274      -0.00403  -0.00003  -0.00318  -0.00243  -0.00561  -0.00964
   D275       0.00806  -0.00001  -0.00099  -0.00032  -0.00132   0.00674
   D276       3.14032   0.00004  -0.00148   0.00198   0.00050   3.14082
   D277      -3.12820  -0.00001   0.00213   0.00023   0.00236  -3.12584
   D278       0.00406   0.00004   0.00164   0.00253   0.00417   0.00823
   D279      -0.00715  -0.00001   0.00034  -0.00069  -0.00035  -0.00749
   D280       3.12830   0.00002   0.00028   0.00037   0.00064   3.12894
   D281      -3.13943  -0.00006   0.00082  -0.00297  -0.00215  -3.14159
   D282      -0.00399  -0.00003   0.00075  -0.00192  -0.00116  -0.00515
   D283      -0.00539  -0.00001   0.00088  -0.00071   0.00017  -0.00522
   D284       3.12616  -0.00001   0.00165  -0.00098   0.00068   3.12683
   D285      -3.14086  -0.00003   0.00095  -0.00176  -0.00081   3.14151
   D286      -0.00931  -0.00003   0.00172  -0.00203  -0.00031  -0.00962
   D287      -0.00329  -0.00001   0.00116  -0.00101   0.00015  -0.00313
   D288       3.13849   0.00002  -0.00158   0.00076  -0.00082   3.13767
   D289       3.13260  -0.00002   0.00326  -0.00152   0.00174   3.13435
   D290      -0.00881   0.00001   0.00052   0.00025   0.00077  -0.00804
   D291      -0.00581  -0.00004   0.00093  -0.00222  -0.00130  -0.00710
   D292       3.13993  -0.00001   0.00129  -0.00087   0.00042   3.14035
   D293       3.13560  -0.00008   0.00368  -0.00400  -0.00032   3.13529
   D294      -0.00184  -0.00005   0.00404  -0.00264   0.00140  -0.00045
   D295       0.00461   0.00005  -0.00268   0.00260  -0.00009   0.00452
   D296      -3.13159   0.00003  -0.00198   0.00195  -0.00003  -3.13161
   D297      -3.14114   0.00003  -0.00304   0.00124  -0.00181   3.14024
   D298       0.00585   0.00001  -0.00234   0.00060  -0.00175   0.00410
   D299       1.86301  -0.00455  -0.11325  -0.00497  -0.11822   1.74479
   D300      -0.32271  -0.00149  -0.11479  -0.00845  -0.12300  -0.44571
   D301      -2.53265  -0.00387  -0.12487  -0.00993  -0.13504  -2.66768
   D302       1.57067   0.00036   0.20373   0.09661   0.30055   1.87122
   D303      -2.59664   0.00068   0.20098   0.09743   0.29844  -2.29820
   D304      -0.31617   0.00167   0.18830   0.08891   0.27698  -0.03920
   D305      -2.41146  -0.00023   0.10897  -0.01516   0.09379  -2.31767
   D306      -0.29705  -0.00069   0.11109  -0.01791   0.09323  -0.20382
   D307       1.76341  -0.00041   0.11036  -0.01678   0.09356   1.85697
   D308       2.70075  -0.00036  -0.15970  -0.05128  -0.21097   2.48978
   D309      -1.48126  -0.00002  -0.16202  -0.04945  -0.21150  -1.69276
   D310       0.59320  -0.00060  -0.16552  -0.05461  -0.22011   0.37309
   D311      -3.06070  -0.00175  -0.03361  -0.00222  -0.03583  -3.09654
   D312      -0.97505  -0.00177  -0.03193  -0.00258  -0.03451  -1.00956
   D313       1.15814  -0.00167  -0.03235  -0.00001  -0.03236   1.12578
   D314       1.14181   0.00165  -0.04864   0.00890  -0.03970   1.10211
   D315      -3.05572   0.00162  -0.04696   0.00855  -0.03838  -3.09410
   D316      -0.92253   0.00173  -0.04738   0.01111  -0.03623  -0.95876
   D317      -1.03779   0.00007  -0.03225   0.00280  -0.02948  -1.06727
   D318       1.04787   0.00004  -0.03057   0.00244  -0.02816   1.01970
   D319      -3.10213   0.00015  -0.03099   0.00501  -0.02601  -3.12814
   D320      -1.06401   0.00205  -0.01828  -0.00433  -0.02261  -1.08661
   D321       1.01651   0.00105  -0.00260  -0.00915  -0.01176   1.00475
   D322      -3.06425   0.00159  -0.01916  -0.00546  -0.02462  -3.08886
   D323       3.13630  -0.00015  -0.12394   0.00337  -0.12058   3.01573
   D324      -1.05542  -0.00013  -0.11862   0.00422  -0.11440  -1.16982
   D325       1.04817  -0.00009  -0.11895   0.00511  -0.11386   0.93431
   D326       1.06144  -0.00002  -0.11927   0.00574  -0.11353   0.94791
   D327      -3.13028  -0.00000  -0.11395   0.00658  -0.10735   3.04555
   D328      -1.02669   0.00004  -0.11428   0.00747  -0.10681  -1.13350
   D329      -1.06512   0.00001  -0.12174   0.00646  -0.11527  -1.18039
   D330       1.02634   0.00003  -0.11642   0.00731  -0.10909   0.91725
   D331       3.12994   0.00007  -0.11675   0.00820  -0.10855   3.02139
         Item               Value     Threshold  Converged?
 Maximum Force            0.008421     0.000450     NO 
 RMS     Force            0.000633     0.000300     NO 
 Maximum Displacement     1.105906     0.001800     NO 
 RMS     Displacement     0.198647     0.001200     NO 
 Predicted change in Energy=-1.487516D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.625632    3.213229   -0.025027
      2          6           0       -2.791591    1.837112    0.130708
      3          6           0       -1.696333    0.968026    0.034485
      4          6           0       -0.410442    1.512886   -0.153216
      5          6           0       -0.255025    2.891496   -0.344301
      6          6           0       -1.351685    3.738073   -0.294106
      7          6           0       -1.832323   -0.493561    0.035150
      8          6           0       -0.690738   -1.315247    0.244410
      9          6           0        0.600112   -0.688524    0.519099
     10          6           0        0.773070    0.648251   -0.069170
     11          6           0       -3.055668   -1.095809   -0.283099
     12          6           0       -3.169824   -2.477521   -0.439329
     13          6           0       -2.023045   -3.277952   -0.321017
     14          6           0       -0.811548   -2.699533    0.006857
     15          7           0        1.730862   -1.433164    0.791502
     16          6           0        2.997877   -0.899387    0.435559
     17          6           0        3.038767    0.331674   -0.267967
     18          7           0        1.918120    1.101152   -0.480025
     19          6           0        4.215945   -1.558245    0.672583
     20          6           0        5.415955   -1.037168    0.209251
     21          6           0        5.450478    0.156870   -0.529743
     22          6           0        4.258587    0.829730   -0.757994
     23          7           0       -3.740688    4.082996    0.090739
     24          7           0       -4.410459   -3.063786   -0.771425
     25          7           0        6.682267    0.667622   -1.009933
     26          6           0       -4.991094   -4.159872   -0.114050
     27          6           0       -6.221172   -4.473173   -0.742961
     28          6           0       -6.388613   -3.534527   -1.833387
     29          6           0       -5.257253   -2.680840   -1.823086
     30          6           0       -3.833310    5.175060    0.963333
     31          6           0       -5.085424    5.811240    0.773485
     32          6           0       -5.781151    5.070030   -0.258125
     33          6           0       -4.924208    4.010597   -0.652769
     34          6           0        7.192271    1.949612   -0.766156
     35          6           0        8.457936    2.066880   -1.394338
     36          6           0        8.722447    0.802464   -2.048198
     37          6           0        7.609268   -0.036637   -1.788371
     38          6           0       -7.373656   -3.365659   -2.812388
     39          6           0       -7.215097   -2.367757   -3.768812
     40          6           0       -6.077066   -1.545045   -3.759143
     41          6           0       -5.083765   -1.689488   -2.792569
     42          6           0       -4.542657   -4.860760    1.008028
     43          6           0       -5.337183   -5.905032    1.477301
     44          6           0       -6.550323   -6.241030    0.854528
     45          6           0       -6.999872   -5.526191   -0.251645
     46          6           0       -7.029997    5.211400   -0.872731
     47          6           0       -7.405748    4.307993   -1.862660
     48          6           0       -6.541480    3.269939   -2.247466
     49          6           0       -5.291920    3.107696   -1.653348
     50          6           0       -2.920016    5.624451    1.920587
     51          6           0       -3.271813    6.741804    2.674015
     52          6           0       -4.501722    7.395812    2.487364
     53          6           0       -5.412821    6.933516    1.543217
     54          6           0        9.784201    0.319906   -2.821395
     55          6           0        9.722061   -0.974763   -3.327358
     56          6           0        8.604731   -1.787606   -3.073837
     57          6           0        7.534484   -1.332351   -2.306693
     58          6           0        6.648865    2.996234   -0.016804
     59          6           0        7.385287    4.175085    0.079400
     60          6           0        8.633742    4.313039   -0.549314
     61          6           0        9.175720    3.263185   -1.284165
     62          8           0        0.258057   -2.899713    2.562948
     63         15           0        1.611504   -2.774164    2.010065
     64          8           0        2.801794   -2.513790    3.036523
     65          8           0        2.083848   -4.040749    1.162005
     66          6           0        2.515230   -1.859970    4.333981
     67          6           0        3.528852   -0.763817    4.568602
     68          6           0        3.305889   -4.820595    1.192191
     69          6           0        2.939236   -6.273714    0.961850
     70          1           0       -3.778384    1.459597    0.369950
     71          1           0        0.740949    3.283168   -0.512128
     72          1           0       -1.232358    4.806275   -0.438966
     73          1           0       -3.933450   -0.483428   -0.442904
     74          1           0       -2.083972   -4.340680   -0.525376
     75          1           0        0.065734   -3.331998    0.005030
     76          1           0        4.256910   -2.453782    1.268807
     77          1           0        6.342761   -1.551209    0.437395
     78          1           0        4.231047    1.757133   -1.317164
     79          1           0       -8.246653   -4.011610   -2.828990
     80          1           0       -7.972177   -2.227307   -4.534128
     81          1           0       -5.960734   -0.784276   -4.526038
     82          1           0       -4.204543   -1.055928   -2.803755
     83          1           0       -3.616159   -4.598328    1.508029
     84          1           0       -5.008295   -6.466290    2.346762
     85          1           0       -7.145234   -7.060143    1.246497
     86          1           0       -7.944425   -5.778515   -0.724781
     87          1           0       -7.697549    6.018152   -0.581247
     88          1           0       -8.373993    4.406299   -2.343827
     89          1           0       -6.853718    2.572371   -3.019111
     90          1           0       -4.627127    2.308911   -1.962488
     91          1           0       -1.976760    5.115175    2.084204
     92          1           0       -2.580727    7.110034    3.426357
     93          1           0       -4.742636    8.265913    3.090218
     94          1           0       -6.369232    7.430856    1.409345
     95          1           0       10.642470    0.952157   -3.030641
     96          1           0       10.539301   -1.360055   -3.929155
     97          1           0        8.569415   -2.791341   -3.487335
     98          1           0        6.670511   -1.962490   -2.127984
     99          1           0        5.689449    2.898882    0.478259
    100          1           0        6.981476    5.003627    0.653439
    101          1           0        9.181086    5.245733   -0.455188
    102          1           0       10.145511    3.367843   -1.762242
    103          1           0        1.502594   -1.458064    4.300463
    104          1           0        2.583716   -2.657884    5.078195
    105          1           0        3.340745   -0.315054    5.549106
    106          1           0        4.552492   -1.151759    4.556017
    107          1           0        3.423708    0.021533    3.817054
    108          1           0        3.966021   -4.450609    0.402921
    109          1           0        3.792904   -4.677469    2.161186
    110          1           0        3.851999   -6.868048    0.851438
    111          1           0        2.359918   -6.672440    1.798269
    112          1           0        2.347723   -6.377190    0.048150
    113         17           0        0.319296    0.413875    2.762476
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0354305           0.0181174           0.0140803
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10667.1399808006 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.49D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999927    0.011408    0.001642   -0.003527 Ang=   1.38 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47622458     A.U. after   14 cycles
            NFock= 14  Conv=0.36D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000968564    0.000430028    0.000116427
      2        6          -0.000581869   -0.000092824   -0.000221469
      3        6          -0.000048609    0.001029444    0.000192236
      4        6           0.000769841   -0.000357663    0.000340666
      5        6          -0.000333106    0.000910995    0.000007135
      6        6           0.000726217    0.000333727    0.000356063
      7        6           0.000302820   -0.001471658    0.000246113
      8        6          -0.002246952   -0.002824843   -0.003107367
      9        6          -0.002296970    0.002054735    0.004879808
     10        6          -0.000055004    0.000476404   -0.000622615
     11        6          -0.000260441    0.000298167    0.000203923
     12        6           0.000460717   -0.000265996   -0.000406713
     13        6          -0.000275425   -0.000164490    0.000033837
     14        6           0.000211073    0.000787236   -0.000607893
     15        7           0.005116490   -0.002357639   -0.000565760
     16        6          -0.002129487   -0.001749598   -0.000451175
     17        6          -0.001456630    0.001130324    0.000031310
     18        7           0.002129898   -0.000371759    0.000462995
     19        6           0.000988224   -0.000091173    0.000471230
     20        6          -0.000881394   -0.001209106    0.001100927
     21        6           0.000040931    0.001555539   -0.001139476
     22        6           0.001043980    0.000319972   -0.000348371
     23        7           0.001385322   -0.000779300    0.000062838
     24        7           0.000048538    0.000051517    0.000261841
     25        7          -0.001246093   -0.001326673    0.000668730
     26        6          -0.000240908   -0.000434041    0.000163961
     27        6           0.000235508    0.000258421   -0.000348252
     28        6          -0.000152816   -0.000143992    0.000035623
     29        6          -0.000212372    0.000223981   -0.000280657
     30        6           0.000476336    0.001347153    0.000076538
     31        6          -0.000028750    0.000239584   -0.000552685
     32        6           0.000355815   -0.000308220    0.000219462
     33        6          -0.001332608   -0.000765630    0.000102405
     34        6           0.000423427    0.001641534    0.000155226
     35        6          -0.000435248    0.000123380   -0.000361543
     36        6           0.000186366   -0.000410774    0.000378356
     37        6           0.000851429   -0.000349043   -0.000400802
     38        6          -0.000006851   -0.000205838    0.000137385
     39        6          -0.000144699    0.000238969   -0.000263070
     40        6          -0.000002807    0.000221370   -0.000444203
     41        6          -0.000096016    0.000294711    0.000248060
     42        6           0.000566196    0.000093722    0.000591222
     43        6           0.000375991    0.000068229    0.000043184
     44        6          -0.000210126   -0.000062707    0.000053400
     45        6          -0.000137816   -0.000297706    0.000148483
     46        6          -0.000553746    0.000334563   -0.000050874
     47        6          -0.000158847    0.000278759    0.000079047
     48        6          -0.000180138   -0.000474323   -0.000046520
     49        6           0.000279020    0.000124976   -0.000181530
     50        6           0.000051207   -0.000334258    0.000214670
     51        6          -0.000142732    0.000213489    0.000290079
     52        6           0.000266690    0.000045737    0.000028374
     53        6          -0.000273233   -0.000295999    0.000083842
     54        6           0.000059837    0.000421716   -0.000318077
     55        6          -0.000095766   -0.000250336   -0.000196726
     56        6           0.000080800   -0.000086043   -0.000104954
     57        6          -0.000215695    0.000098530    0.000084641
     58        6          -0.000186298   -0.000058642    0.000040223
     59        6          -0.000205126   -0.000089034   -0.000041745
     60        6           0.000277426    0.000044815    0.000008244
     61        6           0.000172781    0.000057194    0.000176355
     62        8          -0.000648072   -0.000457938    0.000644748
     63       15          -0.000053584   -0.000929409    0.002957548
     64        8          -0.000811672    0.001691839   -0.002094338
     65        8           0.001748810    0.002905218   -0.005677140
     66        6           0.000249547    0.000392015    0.001163318
     67        6           0.001268943   -0.000048122   -0.000354756
     68        6          -0.000239116   -0.001799488    0.004168065
     69        6           0.000200574   -0.000363429   -0.000407938
     70        1          -0.000121325   -0.000342755   -0.000588276
     71        1           0.000148263   -0.000018540    0.000078790
     72        1          -0.000121649   -0.000102191   -0.000137055
     73        1          -0.000315730    0.000179742    0.000469176
     74        1          -0.000066699    0.000132769   -0.000089643
     75        1          -0.000514800    0.000179764    0.000058412
     76        1          -0.000121786   -0.000201562   -0.000331133
     77        1           0.000222154   -0.000094625   -0.000325044
     78        1          -0.000043364    0.000247174    0.000068191
     79        1           0.000021507   -0.000044458    0.000000869
     80        1           0.000064372    0.000007227    0.000044234
     81        1          -0.000073617   -0.000091135    0.000408974
     82        1           0.000368023   -0.000041680   -0.000097940
     83        1          -0.000435610   -0.000176181   -0.000258858
     84        1          -0.000105200    0.000031029    0.000049850
     85        1           0.000042421   -0.000026358   -0.000065903
     86        1          -0.000045193    0.000078231    0.000015383
     87        1           0.000368357   -0.000281766   -0.000098543
     88        1           0.000056615   -0.000101113    0.000027432
     89        1           0.000165723    0.000217340   -0.000147286
     90        1          -0.000007335   -0.000125933   -0.000095091
     91        1           0.000021488    0.000126637   -0.000095854
     92        1           0.000105241   -0.000033648   -0.000061639
     93        1          -0.000033755   -0.000054106    0.000045926
     94        1           0.000044037    0.000070481   -0.000084582
     95        1          -0.000020387   -0.000085821    0.000193940
     96        1           0.000005820    0.000039996    0.000058428
     97        1          -0.000031069    0.000066701    0.000072274
     98        1          -0.000152646   -0.000127543    0.000064053
     99        1          -0.000158781   -0.000086262    0.000097675
    100        1           0.000015259   -0.000068147    0.000102843
    101        1          -0.000066585    0.000047568   -0.000091466
    102        1          -0.000045213   -0.000078565    0.000009261
    103        1          -0.000480543   -0.000612098    0.000794744
    104        1          -0.000392716    0.000228240   -0.000132998
    105        1           0.000215103   -0.000230489    0.000298735
    106        1          -0.000312142    0.000454359   -0.000049426
    107        1          -0.000055581   -0.000068757   -0.000215897
    108        1          -0.000737825    0.000419793   -0.000441053
    109        1           0.000499637    0.000234856   -0.000659767
    110        1          -0.000107928   -0.000245022    0.000374364
    111        1          -0.000275818    0.000178139   -0.000076621
    112        1           0.000442704   -0.000184314   -0.000168691
    113       17           0.000231403    0.001072726   -0.001152675
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005677140 RMS     0.000842386

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005511628 RMS     0.000613573
 Search for a local minimum.
 Step number  18 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   17   18
 DE= -1.76D-03 DEPred=-1.49D-03 R= 1.19D+00
 TightC=F SS=  1.41D+00  RLast= 8.95D-01 DXNew= 1.8804D+00 2.6851D+00
 Trust test= 1.19D+00 RLast= 8.95D-01 DXMaxT set to 1.88D+00
 ITU=  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00154   0.00684   0.00732   0.00966   0.01175
     Eigenvalues ---    0.01441   0.01806   0.02191   0.02452   0.02484
     Eigenvalues ---    0.02499   0.02540   0.02550   0.02586   0.02594
     Eigenvalues ---    0.02611   0.02637   0.02677   0.02680   0.02697
     Eigenvalues ---    0.02702   0.02704   0.02713   0.02717   0.02743
     Eigenvalues ---    0.02746   0.02767   0.02781   0.02787   0.02797
     Eigenvalues ---    0.02803   0.02807   0.02812   0.02813   0.02825
     Eigenvalues ---    0.02827   0.02849   0.02860   0.02870   0.02872
     Eigenvalues ---    0.02875   0.02883   0.02887   0.02897   0.02899
     Eigenvalues ---    0.02902   0.02905   0.02913   0.02916   0.02917
     Eigenvalues ---    0.02918   0.02923   0.02936   0.02941   0.02945
     Eigenvalues ---    0.02948   0.02950   0.02951   0.02952   0.02954
     Eigenvalues ---    0.02962   0.02964   0.02965   0.02966   0.02976
     Eigenvalues ---    0.02977   0.02987   0.02991   0.02992   0.02999
     Eigenvalues ---    0.03010   0.03019   0.03027   0.03042   0.03051
     Eigenvalues ---    0.03059   0.03061   0.03067   0.03076   0.03088
     Eigenvalues ---    0.03095   0.03106   0.03115   0.03129   0.03135
     Eigenvalues ---    0.03140   0.03155   0.03169   0.03177   0.03187
     Eigenvalues ---    0.03204   0.03227   0.03246   0.03254   0.03278
     Eigenvalues ---    0.03285   0.03356   0.03580   0.03962   0.05332
     Eigenvalues ---    0.05353   0.05506   0.05730   0.05826   0.05873
     Eigenvalues ---    0.05905   0.06236   0.06604   0.08399   0.11177
     Eigenvalues ---    0.11417   0.12150   0.12312   0.13382   0.13625
     Eigenvalues ---    0.14925   0.15935   0.15954   0.15976   0.15977
     Eigenvalues ---    0.15988   0.15991   0.15994   0.15996   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16006   0.16008
     Eigenvalues ---    0.16009   0.16016   0.16058   0.16104   0.17887
     Eigenvalues ---    0.19688   0.20619   0.21581   0.21799   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22001   0.22004   0.22116
     Eigenvalues ---    0.22304   0.22384   0.22466   0.22567   0.22598
     Eigenvalues ---    0.22602   0.22608   0.22657   0.22663   0.22732
     Eigenvalues ---    0.23347   0.23464   0.23487   0.23614   0.24144
     Eigenvalues ---    0.24378   0.24432   0.24485   0.24498   0.24516
     Eigenvalues ---    0.24529   0.24558   0.24584   0.24630   0.24756
     Eigenvalues ---    0.24871   0.24929   0.24962   0.24978   0.24982
     Eigenvalues ---    0.24985   0.24989   0.24992   0.24994   0.25008
     Eigenvalues ---    0.25084   0.25175   0.25460   0.25921   0.26518
     Eigenvalues ---    0.26954   0.27223   0.28205   0.28356   0.28754
     Eigenvalues ---    0.28850   0.29198   0.29277   0.29352   0.29665
     Eigenvalues ---    0.30072   0.30442   0.30655   0.30713   0.30787
     Eigenvalues ---    0.30916   0.31066   0.31148   0.31256   0.31361
     Eigenvalues ---    0.31391   0.31488   0.31706   0.32136   0.32232
     Eigenvalues ---    0.32475   0.32670   0.33158   0.33517   0.33686
     Eigenvalues ---    0.33952   0.34001   0.34245   0.34498   0.34670
     Eigenvalues ---    0.34937   0.35011   0.35156   0.35460   0.35584
     Eigenvalues ---    0.36147   0.36393   0.36781   0.37135   0.37309
     Eigenvalues ---    0.38958   0.39941   0.41478   0.41491   0.41997
     Eigenvalues ---    0.42311   0.42780   0.43376   0.44235   0.45200
     Eigenvalues ---    0.45971   0.46597   0.47094   0.47105   0.47214
     Eigenvalues ---    0.47665   0.47925   0.48522   0.49856   0.50244
     Eigenvalues ---    0.50410   0.50568   0.50860   0.51699   0.52046
     Eigenvalues ---    0.52096   0.52240   0.52585   0.52723   0.53105
     Eigenvalues ---    0.53253   0.53514   0.53788   0.54292   0.54393
     Eigenvalues ---    0.55057   0.55341   0.55421   0.55629   0.55833
     Eigenvalues ---    0.55971   0.56145   0.56201   0.56466   0.56598
     Eigenvalues ---    0.56932   0.57064   0.57225   0.57230   0.57900
     Eigenvalues ---    0.58234   0.58284   0.58325   0.58445   0.58551
     Eigenvalues ---    0.58622   0.58922   0.58984   0.59454   0.59624
     Eigenvalues ---    0.59804   0.59919   0.60348   0.60653   0.60927
     Eigenvalues ---    0.61856   0.62500   0.63275   0.63583   0.64504
     Eigenvalues ---    0.65301   0.66097   0.66777   0.67816   0.68874
     Eigenvalues ---    0.72114   0.73223   0.74621   0.77671   0.80455
     Eigenvalues ---    0.82935   0.85656   1.82732
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    18   17   16
 RFO step:  Lambda=-1.65806257D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.54981    0.33305   -0.88285
 Iteration  1 RMS(Cart)=  0.15111175 RMS(Int)=  0.00968180
 Iteration  2 RMS(Cart)=  0.04587697 RMS(Int)=  0.00155385
 Iteration  3 RMS(Cart)=  0.00345808 RMS(Int)=  0.00050875
 Iteration  4 RMS(Cart)=  0.00001600 RMS(Int)=  0.00050872
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00050872
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63581   0.00010   0.00271   0.00023   0.00305   2.63886
    R2        2.65290   0.00058  -0.00239   0.00113  -0.00094   2.65197
    R3        2.68131  -0.00104   0.00113  -0.00187  -0.00073   2.68058
    R4        2.64842  -0.00012  -0.00441  -0.00010  -0.00471   2.64371
    R5        2.04712   0.00012   0.00038  -0.00013   0.00025   2.04737
    R6        2.66285   0.00051  -0.00127   0.00074  -0.00170   2.66115
    R7        2.77393   0.00086  -0.00065   0.00178   0.00037   2.77430
    R8        2.64645   0.00089  -0.00337   0.00150  -0.00199   2.64446
    R9        2.77433   0.00002   0.00447   0.00011   0.00454   2.77887
   R10        2.61976   0.00000   0.00303  -0.00029   0.00293   2.62269
   R11        2.04714   0.00011   0.00014   0.00015   0.00029   2.04743
   R12        2.04953  -0.00010   0.00015  -0.00049  -0.00034   2.04918
   R13        2.68725  -0.00018  -0.00575  -0.00044  -0.00628   2.68097
   R14        2.64599  -0.00033  -0.00152  -0.00036  -0.00200   2.64400
   R15        2.76090   0.00401   0.01616   0.00532   0.02227   2.78317
   R16        2.66396  -0.00036  -0.00427  -0.00089  -0.00517   2.65879
   R17        2.77921   0.00110   0.01742   0.00175   0.02064   2.79984
   R18        2.60980   0.00384   0.00195   0.00697   0.00984   2.61963
   R19        2.45305   0.00095  -0.01198   0.00144  -0.01073   2.44232
   R20        2.63654  -0.00018   0.00003  -0.00006  -0.00003   2.63650
   R21        2.04497   0.00034   0.00066   0.00043   0.00109   2.04606
   R22        2.65222  -0.00014  -0.00510   0.00039  -0.00459   2.64763
   R23        2.66791  -0.00000   0.00456  -0.00033   0.00423   2.67213
   R24        2.61151   0.00057   0.00503   0.00065   0.00580   2.61731
   R25        2.04830  -0.00010   0.00054  -0.00037   0.00017   2.04846
   R26        2.04374  -0.00054  -0.00003  -0.00108  -0.00111   2.04263
   R27        2.68377  -0.00229   0.00819  -0.00144   0.00694   2.69071
   R28        3.43152  -0.00269  -0.03249  -0.00615  -0.03863   3.39289
   R29        2.68057   0.00060  -0.00733   0.00175  -0.00631   2.67426
   R30        2.65502   0.00032  -0.00414   0.00136  -0.00276   2.65227
   R31        2.59995  -0.00148   0.01602  -0.00331   0.01180   2.61174
   R32        2.65649   0.00056  -0.00710   0.00101  -0.00613   2.65036
   R33        2.62272  -0.00070   0.00516  -0.00154   0.00366   2.62638
   R34        2.03455   0.00000   0.00143  -0.00188  -0.00045   2.03410
   R35        2.65440   0.00132  -0.00738   0.00211  -0.00525   2.64914
   R36        2.04864   0.00020  -0.00033   0.00037   0.00003   2.04867
   R37        2.62219  -0.00058   0.00523  -0.00161   0.00359   2.62578
   R38        2.67832  -0.00107   0.00328  -0.00208   0.00120   2.67951
   R39        2.04711   0.00020  -0.00032   0.00023  -0.00009   2.04702
   R40        2.64737   0.00067  -0.00110   0.00168   0.00058   2.64795
   R41        2.64478   0.00085  -0.00105   0.00207   0.00103   2.64581
   R42        2.65282   0.00038  -0.00436   0.00092  -0.00342   2.64940
   R43        2.65215   0.00011  -0.00369   0.00101  -0.00266   2.64949
   R44        2.64766   0.00097  -0.00363   0.00235  -0.00125   2.64641
   R45        2.64648   0.00041  -0.00172   0.00130  -0.00039   2.64609
   R46        2.67700   0.00012   0.00083  -0.00024   0.00059   2.67759
   R47        2.63980   0.00031  -0.00078   0.00039  -0.00039   2.63941
   R48        2.73725   0.00030  -0.00093   0.00044  -0.00050   2.73675
   R49        2.64333   0.00034  -0.00048   0.00044  -0.00004   2.64329
   R50        2.67839   0.00007   0.00046   0.00011   0.00057   2.67896
   R51        2.64377   0.00009   0.00022  -0.00016   0.00006   2.64383
   R52        2.64073   0.00008  -0.00004   0.00007   0.00004   2.64077
   R53        2.67819   0.00018  -0.00064   0.00026  -0.00038   2.67781
   R54        2.64048   0.00012  -0.00017   0.00009  -0.00008   2.64040
   R55        2.73694   0.00025  -0.00061   0.00010  -0.00051   2.73643
   R56        2.64506   0.00003  -0.00019  -0.00013  -0.00032   2.64475
   R57        2.68081  -0.00026   0.00031  -0.00083  -0.00052   2.68029
   R58        2.64382   0.00026  -0.00062   0.00036  -0.00026   2.64356
   R59        2.63994   0.00022  -0.00045   0.00038  -0.00006   2.63988
   R60        2.67933  -0.00011   0.00062  -0.00044   0.00018   2.67951
   R61        2.64037  -0.00004  -0.00000  -0.00010  -0.00009   2.64028
   R62        2.73603   0.00050  -0.00131   0.00067  -0.00067   2.73535
   R63        2.64460   0.00008  -0.00028  -0.00004  -0.00032   2.64429
   R64        2.67966  -0.00005   0.00021  -0.00040  -0.00019   2.67948
   R65        2.64428   0.00009  -0.00003  -0.00005  -0.00007   2.64421
   R66        2.64097  -0.00010   0.00017  -0.00033  -0.00015   2.64082
   R67        2.62916   0.00048  -0.00101   0.00069  -0.00033   2.62883
   R68        2.05247   0.00001   0.00003   0.00004   0.00006   2.05253
   R69        2.65375   0.00016   0.00039  -0.00015   0.00024   2.65398
   R70        2.05155  -0.00008   0.00023  -0.00041  -0.00018   2.05138
   R71        2.63329   0.00011  -0.00049   0.00017  -0.00031   2.63298
   R72        2.05314  -0.00033   0.00101  -0.00092   0.00009   2.05324
   R73        2.04803   0.00025  -0.00020   0.00013  -0.00007   2.04796
   R74        2.63343  -0.00005  -0.00022  -0.00011  -0.00034   2.63310
   R75        2.05039  -0.00054   0.00143  -0.00155  -0.00011   2.05028
   R76        2.65401   0.00028  -0.00014   0.00029   0.00015   2.65416
   R77        2.05202  -0.00002   0.00012  -0.00008   0.00004   2.05206
   R78        2.62985   0.00013  -0.00028   0.00004  -0.00024   2.62960
   R79        2.05147  -0.00002   0.00007  -0.00011  -0.00004   2.05143
   R80        2.05251   0.00001   0.00004   0.00001   0.00005   2.05256
   R81        2.63025   0.00007  -0.00010  -0.00014  -0.00024   2.63000
   R82        2.05402  -0.00046   0.00122  -0.00137  -0.00014   2.05388
   R83        2.65410   0.00026  -0.00060   0.00037  -0.00023   2.65387
   R84        2.05162  -0.00007   0.00014  -0.00017  -0.00004   2.05159
   R85        2.63256   0.00011  -0.00034   0.00030  -0.00004   2.63252
   R86        2.05236  -0.00006   0.00001  -0.00022  -0.00021   2.05214
   R87        2.04891   0.00011  -0.00044   0.00006  -0.00038   2.04853
   R88        2.63201   0.00014  -0.00039   0.00027  -0.00011   2.63190
   R89        2.04917  -0.00003  -0.00009  -0.00033  -0.00042   2.04875
   R90        2.65588  -0.00002  -0.00022  -0.00026  -0.00048   2.65540
   R91        2.05208   0.00001  -0.00000  -0.00004  -0.00004   2.05204
   R92        2.62885   0.00032  -0.00066   0.00026  -0.00040   2.62845
   R93        2.05151  -0.00000   0.00000   0.00000   0.00000   2.05151
   R94        2.05276  -0.00001  -0.00000  -0.00005  -0.00005   2.05271
   R95        2.62939   0.00033  -0.00085   0.00051  -0.00034   2.62905
   R96        2.05290  -0.00011   0.00024  -0.00046  -0.00021   2.05269
   R97        2.65465   0.00009  -0.00005  -0.00006  -0.00012   2.65453
   R98        2.05145  -0.00004   0.00007  -0.00015  -0.00008   2.05137
   R99        2.63289   0.00007  -0.00042   0.00019  -0.00023   2.63267
   R100       2.05252  -0.00009   0.00022  -0.00029  -0.00008   2.05244
   R101       2.04882   0.00021  -0.00053   0.00030  -0.00023   2.04859
   R102       2.63294  -0.00007   0.00001  -0.00029  -0.00027   2.63267
   R103       2.04845   0.00020  -0.00032   0.00027  -0.00005   2.04840
   R104       2.65434   0.00033  -0.00070   0.00043  -0.00028   2.65407
   R105       2.05196   0.00001   0.00001   0.00009   0.00009   2.05205
   R106       2.62933   0.00011  -0.00020   0.00001  -0.00019   2.62914
   R107       2.05134   0.00000   0.00003  -0.00011  -0.00008   2.05126
   R108       2.05277  -0.00006   0.00013  -0.00009   0.00004   2.05282
   R109       2.77298   0.00094   0.00003   0.00130   0.00133   2.77432
   R110       3.01066  -0.00061   0.01395   0.00036   0.01431   3.02497
   R111       3.01561   0.00151  -0.00829   0.00583  -0.00246   3.01315
   R112       2.79845   0.00059  -0.00782   0.00425  -0.00356   2.79489
   R113       2.74007   0.00037   0.00338   0.00187   0.00526   2.74533
   R114       2.85594   0.00069  -0.00065   0.00278   0.00214   2.85808
   R115       2.05979   0.00034   0.00021   0.00033   0.00054   2.06033
   R116       2.06596  -0.00033   0.00081  -0.00111  -0.00030   2.06565
   R117       2.06850   0.00018  -0.00052   0.00053   0.00001   2.06852
   R118       2.06879  -0.00041   0.00123  -0.00158  -0.00035   2.06844
   R119       2.06375   0.00009   0.00014   0.00019   0.00033   2.06408
   R120       2.86532   0.00062  -0.00142   0.00259   0.00117   2.86648
   R121       2.06630   0.00013   0.00006  -0.00030  -0.00025   2.06606
   R122       2.06717  -0.00031  -0.00087  -0.00112  -0.00200   2.06518
   R123       2.06885  -0.00006   0.00035  -0.00030   0.00006   2.06891
   R124       2.06507  -0.00002  -0.00009   0.00003  -0.00006   2.06501
   R125       2.06616  -0.00011   0.00039  -0.00041  -0.00003   2.06613
   R126       5.09517   0.00117  -0.00974   0.02440   0.01466   5.10983
    A1        2.09234   0.00018  -0.00080   0.00012  -0.00075   2.09160
    A2        2.09689  -0.00052   0.00134  -0.00161  -0.00025   2.09665
    A3        2.09394   0.00034  -0.00053   0.00150   0.00100   2.09494
    A4        2.10733  -0.00013  -0.00211  -0.00044  -0.00319   2.10414
    A5        2.06788   0.00037   0.00482   0.00251   0.00759   2.07546
    A6        2.10708  -0.00022  -0.00311  -0.00155  -0.00441   2.10267
    A7        2.07433   0.00030   0.00296   0.00150   0.00502   2.07935
    A8        2.14721  -0.00090   0.00393  -0.00440   0.00170   2.14891
    A9        2.05964   0.00057  -0.00685   0.00229  -0.00736   2.05228
   A10        2.09449  -0.00026  -0.00097  -0.00105  -0.00200   2.09249
   A11        2.09474  -0.00004  -0.00330   0.00028  -0.00504   2.08969
   A12        2.09221   0.00031   0.00336   0.00104   0.00580   2.09801
   A13        2.10414  -0.00004  -0.00135   0.00046  -0.00132   2.10283
   A14        2.07041  -0.00006   0.00277  -0.00104   0.00194   2.07235
   A15        2.10844   0.00011  -0.00148   0.00067  -0.00061   2.10783
   A16        2.09035  -0.00003   0.00084   0.00025   0.00109   2.09144
   A17        2.08709  -0.00008   0.00070  -0.00044   0.00021   2.08730
   A18        2.10550   0.00011  -0.00168   0.00040  -0.00133   2.10416
   A19        2.09559   0.00042  -0.00190   0.00209  -0.00190   2.09369
   A20        2.10494  -0.00105  -0.00512  -0.00319  -0.00724   2.09770
   A21        2.07865   0.00062   0.00558   0.00111   0.00716   2.08581
   A22        2.08184  -0.00109  -0.00308  -0.00325  -0.00716   2.07469
   A23        2.06441  -0.00051  -0.00197  -0.00107  -0.00348   2.06093
   A24        2.12779   0.00160   0.00150   0.00563   0.00720   2.13499
   A25        2.00271  -0.00001  -0.02273   0.00059  -0.02771   1.97500
   A26        2.12845   0.00176  -0.00779  -0.00113  -0.01630   2.11215
   A27        2.06314  -0.00196  -0.00520  -0.00282  -0.01263   2.05051
   A28        2.05263  -0.00003  -0.01126   0.00040  -0.01236   2.04027
   A29        2.08002  -0.00012   0.00518  -0.00133   0.00279   2.08281
   A30        2.15013   0.00015   0.00635   0.00111   0.00799   2.15811
   A31        2.12104  -0.00016  -0.00157  -0.00093  -0.00292   2.11813
   A32        2.09308  -0.00003  -0.00236  -0.00062  -0.00293   2.09014
   A33        2.06863   0.00020   0.00367   0.00172   0.00542   2.07405
   A34        2.08117  -0.00010  -0.00157  -0.00017  -0.00184   2.07934
   A35        2.10539  -0.00074  -0.00039  -0.00187  -0.00225   2.10314
   A36        2.09558   0.00085   0.00162   0.00219   0.00381   2.09940
   A37        2.09163  -0.00002   0.00197  -0.00015   0.00186   2.09349
   A38        2.09133  -0.00007   0.00039  -0.00037  -0.00003   2.09130
   A39        2.09946   0.00009  -0.00259   0.00078  -0.00186   2.09760
   A40        2.12482   0.00014  -0.00029   0.00009  -0.00030   2.12452
   A41        2.10021   0.00002   0.00578  -0.00090   0.00488   2.10509
   A42        2.05550  -0.00015  -0.00613   0.00157  -0.00455   2.05095
   A43        2.06959   0.00079   0.00582   0.00019   0.00683   2.07642
   A44        2.06772   0.00010   0.01706  -0.00780   0.00744   2.07517
   A45        2.09947  -0.00126  -0.00533   0.00382  -0.00352   2.09594
   A46        2.06713   0.00046   0.00057   0.00127   0.00206   2.06920
   A47        2.15907  -0.00063  -0.00289   0.00104  -0.00194   2.15712
   A48        2.05518   0.00019   0.00250  -0.00209   0.00026   2.05543
   A49        2.13927  -0.00009  -0.00069   0.00023  -0.00130   2.13797
   A50        2.10062   0.00009   0.00070   0.00194   0.00297   2.10359
   A51        2.04306  -0.00001   0.00006  -0.00218  -0.00161   2.04146
   A52        2.06528   0.00064   0.00271   0.00102   0.00311   2.06838
   A53        2.11440  -0.00033  -0.00136   0.00032  -0.00105   2.11335
   A54        2.11353   0.00010   0.00171   0.00127   0.00297   2.11650
   A55        2.05361   0.00024  -0.00060  -0.00129  -0.00189   2.05171
   A56        2.11302   0.00022  -0.00121   0.00119  -0.00003   2.11298
   A57        2.08393   0.00006  -0.00184   0.00070  -0.00114   2.08279
   A58        2.08608  -0.00027   0.00301  -0.00185   0.00116   2.08724
   A59        2.06875   0.00022  -0.00041  -0.00036  -0.00087   2.06788
   A60        2.10127  -0.00010   0.00308   0.00010   0.00322   2.10449
   A61        2.11303  -0.00012  -0.00257   0.00024  -0.00230   2.11073
   A62        2.11321  -0.00039   0.00014  -0.00081  -0.00082   2.11238
   A63        2.05013   0.00016   0.00222  -0.00042   0.00186   2.05199
   A64        2.11984   0.00023  -0.00231   0.00122  -0.00103   2.11881
   A65        2.19029   0.00053  -0.00095   0.00249   0.00153   2.19182
   A66        2.20124  -0.00067   0.00177  -0.00279  -0.00102   2.20022
   A67        1.89158   0.00014  -0.00077   0.00027  -0.00050   1.89109
   A68        2.18652   0.00049   0.00092   0.00069   0.00147   2.18799
   A69        2.20579  -0.00065  -0.00157  -0.00086  -0.00256   2.20323
   A70        1.89061   0.00017   0.00050   0.00029   0.00073   1.89134
   A71        2.19833  -0.00011  -0.00042  -0.00034  -0.00102   2.19731
   A72        2.19246   0.00006   0.00023   0.00057   0.00054   2.19300
   A73        1.89220   0.00004   0.00017  -0.00019  -0.00012   1.89208
   A74        1.90069  -0.00025   0.00101  -0.00049   0.00053   1.90122
   A75        2.25896   0.00004  -0.00039  -0.00054  -0.00099   2.25797
   A76        2.12279   0.00021  -0.00026   0.00095   0.00066   2.12345
   A77        1.86635   0.00015  -0.00141   0.00053  -0.00088   1.86547
   A78        2.08742  -0.00021  -0.00006  -0.00071  -0.00077   2.08665
   A79        2.32938   0.00006   0.00155   0.00015   0.00167   2.33105
   A80        1.86771  -0.00003  -0.00062   0.00010  -0.00053   1.86718
   A81        2.32732   0.00024   0.00072   0.00041   0.00112   2.32844
   A82        2.08795  -0.00020  -0.00016  -0.00050  -0.00066   2.08729
   A83        1.89940  -0.00003   0.00050  -0.00041   0.00012   1.89951
   A84        2.26338  -0.00028  -0.00034  -0.00023  -0.00059   2.26279
   A85        2.11923   0.00031  -0.00013   0.00073   0.00060   2.11983
   A86        1.90170  -0.00042   0.00111  -0.00111  -0.00000   1.90169
   A87        2.25779   0.00021   0.00031   0.00075   0.00105   2.25884
   A88        2.12336   0.00021  -0.00129   0.00023  -0.00106   2.12230
   A89        1.86511   0.00029  -0.00055   0.00085   0.00029   1.86541
   A90        2.08622  -0.00023   0.00101  -0.00043   0.00057   2.08678
   A91        2.33183  -0.00007  -0.00038  -0.00043  -0.00084   2.33099
   A92        1.86520   0.00018  -0.00032   0.00053   0.00021   1.86541
   A93        2.33227  -0.00007  -0.00022  -0.00061  -0.00086   2.33141
   A94        2.08572  -0.00012   0.00059   0.00007   0.00065   2.08637
   A95        1.90118  -0.00020   0.00053  -0.00053  -0.00001   1.90116
   A96        2.26077  -0.00002   0.00066   0.00020   0.00083   2.26159
   A97        2.12107   0.00021  -0.00098   0.00021  -0.00078   2.12029
   A98        1.90025  -0.00023   0.00081  -0.00060   0.00025   1.90051
   A99        2.26159  -0.00021   0.00092  -0.00065   0.00023   2.26181
   A100       2.12097   0.00044  -0.00159   0.00116  -0.00044   2.12053
   A101       1.86601   0.00015  -0.00078   0.00063  -0.00016   1.86585
   A102       2.08710  -0.00022   0.00064  -0.00072  -0.00007   2.08703
   A103       2.33005   0.00007   0.00019   0.00008   0.00025   2.33030
   A104       1.86566   0.00013  -0.00039   0.00025  -0.00017   1.86549
   A105       2.33137   0.00001   0.00021  -0.00028  -0.00011   2.33125
   A106       2.08615  -0.00015   0.00027   0.00003   0.00029   2.08644
   A107       1.90065  -0.00010   0.00021  -0.00009   0.00018   1.90083
   A108       2.26136  -0.00024   0.00072  -0.00068  -0.00001   2.26135
   A109       2.12078   0.00033  -0.00085   0.00069  -0.00017   2.12061
   A110       2.07989   0.00000   0.00013   0.00019   0.00032   2.08020
   A111       2.10000  -0.00004   0.00011  -0.00033  -0.00022   2.09978
   A112       2.10327   0.00003  -0.00025   0.00017  -0.00009   2.10318
   A113       2.10345   0.00003   0.00012  -0.00011   0.00001   2.10346
   A114       2.09200   0.00000  -0.00012   0.00017   0.00005   2.09204
   A115       2.08771  -0.00003  -0.00000  -0.00005  -0.00005   2.08765
   A116       2.11965  -0.00006  -0.00001   0.00023   0.00021   2.11987
   A117       2.08533   0.00009  -0.00050   0.00040  -0.00011   2.08523
   A118       2.07815  -0.00004   0.00048  -0.00061  -0.00013   2.07802
   A119       2.05586  -0.00009   0.00012  -0.00053  -0.00041   2.05545
   A120       2.12069  -0.00007  -0.00063   0.00008  -0.00055   2.12014
   A121       2.10660   0.00016   0.00053   0.00045   0.00098   2.10758
   A122       2.05267  -0.00007   0.00044  -0.00058  -0.00013   2.05255
   A123       2.12107   0.00004  -0.00154   0.00044  -0.00111   2.11995
   A124       2.10937   0.00003   0.00114   0.00014   0.00127   2.11064
   A125       2.12050  -0.00002  -0.00016   0.00001  -0.00015   2.12036
   A126       2.07632   0.00007   0.00003   0.00053   0.00056   2.07688
   A127       2.08635  -0.00005   0.00015  -0.00056  -0.00041   2.08594
   A128       2.10436   0.00007   0.00003   0.00019   0.00022   2.10459
   A129       2.08722  -0.00002  -0.00010   0.00013   0.00003   2.08724
   A130       2.09156  -0.00004   0.00007  -0.00032  -0.00025   2.09132
   A131       2.07836   0.00003   0.00015   0.00010   0.00025   2.07861
   A132       2.10134  -0.00007   0.00052  -0.00050   0.00002   2.10136
   A133       2.10347   0.00004  -0.00065   0.00039  -0.00026   2.10321
   A134       2.08040   0.00004  -0.00008  -0.00009  -0.00017   2.08024
   A135       2.10066  -0.00011   0.00049  -0.00066  -0.00018   2.10048
   A136       2.10212   0.00008  -0.00040   0.00075   0.00035   2.10247
   A137       2.10419   0.00002  -0.00013   0.00013   0.00000   2.10419
   A138       2.09117   0.00006  -0.00033   0.00051   0.00018   2.09135
   A139       2.08782  -0.00008   0.00046  -0.00064  -0.00018   2.08764
   A140       2.11904  -0.00009  -0.00001  -0.00023  -0.00025   2.11879
   A141       2.08572   0.00011   0.00051   0.00068   0.00118   2.08690
   A142       2.07840  -0.00002  -0.00051  -0.00043  -0.00095   2.07744
   A143       2.05588  -0.00007   0.00066  -0.00014   0.00054   2.05642
   A144       2.11646   0.00014   0.00028   0.00107   0.00134   2.11780
   A145       2.11084  -0.00008  -0.00093  -0.00095  -0.00189   2.10895
   A146       2.05275  -0.00003   0.00054   0.00004   0.00057   2.05332
   A147       2.11868   0.00003  -0.00037   0.00006  -0.00032   2.11837
   A148       2.11164   0.00001  -0.00021  -0.00007  -0.00029   2.11135
   A149       2.12059  -0.00011   0.00035  -0.00029   0.00006   2.12065
   A150       2.07838  -0.00007   0.00061  -0.00082  -0.00021   2.07817
   A151       2.08420   0.00017  -0.00097   0.00111   0.00015   2.08435
   A152       2.10440   0.00010  -0.00062   0.00020  -0.00042   2.10397
   A153       2.08681  -0.00004   0.00029  -0.00007   0.00022   2.08703
   A154       2.09197  -0.00006   0.00035  -0.00014   0.00021   2.09217
   A155       2.07886   0.00005  -0.00003   0.00021   0.00018   2.07904
   A156       2.10048  -0.00004  -0.00006  -0.00005  -0.00012   2.10036
   A157       2.10381  -0.00001   0.00007  -0.00015  -0.00008   2.10373
   A158       2.08051  -0.00008   0.00026  -0.00052  -0.00025   2.08026
   A159       2.10041  -0.00004   0.00027  -0.00035  -0.00009   2.10032
   A160       2.10223   0.00012  -0.00054   0.00088   0.00032   2.10256
   A161       2.10400   0.00005  -0.00024   0.00025   0.00001   2.10401
   A162       2.09232  -0.00008   0.00047  -0.00060  -0.00013   2.09219
   A163       2.08685   0.00002  -0.00023   0.00035   0.00013   2.08697
   A164       2.11914  -0.00002   0.00011   0.00009   0.00019   2.11933
   A165       2.08504   0.00005  -0.00021   0.00011  -0.00010   2.08494
   A166       2.07899  -0.00003   0.00010  -0.00020  -0.00009   2.07890
   A167       2.05562  -0.00014   0.00044  -0.00057  -0.00012   2.05549
   A168       2.11808   0.00004  -0.00037   0.00043   0.00006   2.11814
   A169       2.10945   0.00010  -0.00007   0.00013   0.00006   2.10951
   A170       2.05472  -0.00023   0.00113  -0.00087   0.00027   2.05498
   A171       2.11986   0.00008  -0.00068   0.00044  -0.00025   2.11961
   A172       2.10861   0.00015  -0.00044   0.00043  -0.00002   2.10858
   A173       2.11996  -0.00000  -0.00021   0.00042   0.00021   2.12017
   A174       2.07778  -0.00005   0.00053  -0.00059  -0.00006   2.07772
   A175       2.08544   0.00006  -0.00032   0.00017  -0.00014   2.08530
   A176       2.10425   0.00002  -0.00015  -0.00032  -0.00048   2.10378
   A177       2.08718  -0.00001   0.00010   0.00013   0.00023   2.08741
   A178       2.09174  -0.00001   0.00005   0.00019   0.00024   2.09198
   A179       2.07921  -0.00000   0.00015   0.00031   0.00047   2.07968
   A180       2.10088  -0.00007   0.00039  -0.00069  -0.00030   2.10059
   A181       2.10307   0.00007  -0.00055   0.00037  -0.00018   2.10290
   A182       1.95697  -0.00042  -0.00395  -0.00276  -0.00637   1.95060
   A183       1.83646  -0.00336   0.02789  -0.00368   0.02426   1.86073
   A184       1.78243   0.00167  -0.01892  -0.00233  -0.02093   1.76150
   A185       2.04916   0.00142  -0.02164   0.00312  -0.01842   2.03075
   A186       1.98814   0.00075   0.02719   0.00596   0.03306   2.02120
   A187       1.82448  -0.00027  -0.01115  -0.00150  -0.01219   1.81228
   A188       2.08526   0.00141  -0.02461   0.01267  -0.01194   2.07331
   A189       2.29866  -0.00374  -0.01040  -0.01165  -0.02205   2.27661
   A190       1.90335  -0.00072   0.01166  -0.00635   0.00533   1.90868
   A191       1.89192  -0.00055   0.00473   0.00731   0.01207   1.90399
   A192       1.83595   0.00071  -0.00005  -0.00144  -0.00144   1.83451
   A193       1.93953  -0.00016  -0.00746   0.00335  -0.00425   1.93528
   A194       1.96240  -0.00018  -0.00551  -0.00039  -0.00600   1.95640
   A195       1.92649   0.00090  -0.00207  -0.00250  -0.00471   1.92178
   A196       1.89775  -0.00008  -0.00010   0.00017   0.00007   1.89783
   A197       1.94800   0.00049  -0.00113   0.00275   0.00162   1.94961
   A198       1.92856  -0.00031   0.00627  -0.00209   0.00418   1.93274
   A199       1.89258  -0.00020   0.00180  -0.00150   0.00030   1.89289
   A200       1.88081   0.00027  -0.00499   0.00256  -0.00243   1.87838
   A201       1.91447  -0.00016  -0.00206  -0.00186  -0.00393   1.91054
   A202       1.88438   0.00082   0.00425   0.00380   0.00801   1.89239
   A203       1.88788  -0.00077  -0.00714  -0.00672  -0.01386   1.87402
   A204       1.90000  -0.00007  -0.00133   0.00223   0.00079   1.90079
   A205       1.93972   0.00012   0.00024  -0.00050  -0.00022   1.93950
   A206       1.94724  -0.00011   0.00485   0.00128   0.00609   1.95333
   A207       1.90323  -0.00002  -0.00118  -0.00027  -0.00148   1.90175
   A208       1.91132   0.00026  -0.00100   0.00210   0.00107   1.91239
   A209       1.94077  -0.00027   0.00737  -0.00245   0.00493   1.94570
   A210       1.92674   0.00030  -0.00658   0.00256  -0.00402   1.92272
   A211       1.89769  -0.00007   0.00141  -0.00145  -0.00007   1.89762
   A212       1.89167  -0.00022  -0.00094  -0.00081  -0.00179   1.88988
   A213       1.89473  -0.00001  -0.00029   0.00001  -0.00026   1.89447
   A214       2.32028  -0.00551   0.05997  -0.00975   0.05022   2.37049
    D1        0.01081  -0.00013   0.00291  -0.00560  -0.00258   0.00823
    D2        3.10707   0.00029  -0.01047   0.00742  -0.00298   3.10409
    D3       -3.12846  -0.00030   0.00688  -0.01197  -0.00501  -3.13347
    D4       -0.03220   0.00011  -0.00650   0.00106  -0.00542  -0.03762
    D5       -0.05027   0.00016  -0.01535   0.00789  -0.00745  -0.05772
    D6        3.11494  -0.00007  -0.00340  -0.00217  -0.00560   3.10934
    D7        3.08901   0.00033  -0.01932   0.01424  -0.00502   3.08398
    D8       -0.02897   0.00011  -0.00737   0.00418  -0.00318  -0.03215
    D9        2.17519   0.00057  -0.00094   0.02375   0.02283   2.19802
   D10       -0.98127   0.00055   0.00264   0.02187   0.02453  -0.95674
   D11       -0.96407   0.00039   0.00304   0.01737   0.02039  -0.94368
   D12        2.16265   0.00038   0.00661   0.01549   0.02209   2.18474
   D13        0.05721  -0.00007   0.01644  -0.00353   0.01289   0.07010
   D14       -3.01490   0.00027   0.01621   0.00698   0.02344  -2.99146
   D15       -3.03802  -0.00051   0.03002  -0.01695   0.01298  -3.02504
   D16        0.17305  -0.00017   0.02979  -0.00645   0.02354   0.19659
   D17       -0.08651   0.00025  -0.02355   0.01049  -0.01314  -0.09965
   D18        2.99167   0.00034  -0.04837   0.01546  -0.03254   2.95913
   D19        2.98911  -0.00013  -0.02291   0.00025  -0.02278   2.96632
   D20       -0.21591  -0.00004  -0.04774   0.00522  -0.04218  -0.25808
   D21       -2.88871  -0.00075   0.08855  -0.03086   0.05794  -2.83077
   D22        0.34980  -0.00068   0.10982  -0.03106   0.07888   0.42868
   D23        0.32181  -0.00041   0.08796  -0.02041   0.06788   0.38969
   D24       -2.72286  -0.00033   0.10922  -0.02061   0.08882  -2.63404
   D25        0.04828  -0.00024   0.01133  -0.00837   0.00297   0.05125
   D26       -3.11423  -0.00009   0.00715  -0.00319   0.00395  -3.11028
   D27       -3.02999  -0.00031   0.03620  -0.01331   0.02285  -3.00713
   D28        0.09069  -0.00016   0.03202  -0.00812   0.02384   0.11453
   D29       -0.24747  -0.00005  -0.04097   0.00559  -0.03567  -0.28314
   D30        2.92374   0.00015   0.00170  -0.00108  -0.00014   2.92361
   D31        2.83079   0.00001  -0.06581   0.01047  -0.05541   2.77537
   D32       -0.28119   0.00021  -0.02314   0.00381  -0.01988  -0.30106
   D33        0.02066   0.00001   0.00820  -0.00095   0.00719   0.02785
   D34        3.13838   0.00024  -0.00387   0.00922   0.00534  -3.13946
   D35       -3.09956  -0.00014   0.01244  -0.00622   0.00615  -3.09341
   D36        0.01816   0.00008   0.00037   0.00394   0.00431   0.02247
   D37        0.04921   0.00078  -0.03508   0.02412  -0.01025   0.03895
   D38       -2.95026   0.00064  -0.00032   0.01355   0.01338  -2.93688
   D39        3.09534   0.00061  -0.05638   0.02408  -0.03185   3.06349
   D40        0.09587   0.00047  -0.02162   0.01351  -0.00821   0.08766
   D41        3.01083  -0.00039  -0.00253  -0.00922  -0.01193   2.99890
   D42       -0.09840  -0.00048   0.01671  -0.01553   0.00096  -0.09745
   D43       -0.03478  -0.00030   0.01878  -0.00948   0.00942  -0.02536
   D44        3.13918  -0.00039   0.03802  -0.01579   0.02230  -3.12171
   D45       -0.50201  -0.00064  -0.05026  -0.01275  -0.06159  -0.56361
   D46        3.08851   0.00038   0.06334  -0.00407   0.05757  -3.13711
   D47        2.49210  -0.00069  -0.08650  -0.00237  -0.08725   2.40484
   D48       -0.20057   0.00033   0.02709   0.00630   0.03191  -0.16866
   D49       -0.08637  -0.00029   0.00643  -0.00687  -0.00042  -0.08679
   D50        2.97521  -0.00014  -0.00470   0.00446  -0.00024   2.97497
   D51       -3.08190  -0.00019   0.04238  -0.01696   0.02536  -3.05654
   D52       -0.02031  -0.00004   0.03125  -0.00562   0.02553   0.00522
   D53        0.59963   0.00037   0.08759  -0.00183   0.08417   0.68380
   D54       -2.57287   0.00015   0.04314   0.00508   0.04683  -2.52603
   D55       -2.97307   0.00039  -0.02178  -0.00974  -0.03129  -3.00437
   D56        0.13761   0.00017  -0.06623  -0.00283  -0.06862   0.06899
   D57        2.62858  -0.00105  -0.07213  -0.01278  -0.08528   2.54329
   D58       -0.83435  -0.00251  -0.02280  -0.02477  -0.04722  -0.88157
   D59       -0.04931  -0.00051   0.04766  -0.00467   0.04251  -0.00680
   D60        2.77096  -0.00198   0.09699  -0.01666   0.08057   2.85153
   D61        3.02678  -0.00010  -0.00438   0.01186   0.00698   3.03376
   D62       -0.08344   0.00011   0.04034   0.00481   0.04542  -0.03802
   D63       -0.03954  -0.00008  -0.00016  -0.00160  -0.00171  -0.04125
   D64       -3.13222  -0.00012   0.00945  -0.00519   0.00429  -3.12793
   D65        3.07013   0.00000  -0.01914   0.00458  -0.01463   3.05550
   D66       -0.02255  -0.00004  -0.00953   0.00099  -0.00863  -0.03118
   D67        0.05086   0.00025  -0.01577   0.00844  -0.00732   0.04354
   D68       -3.04881   0.00012  -0.00799   0.00153  -0.00644  -3.05525
   D69       -3.13937   0.00024  -0.02536   0.01189  -0.01348   3.13034
   D70        0.04415   0.00011  -0.01757   0.00498  -0.01260   0.03155
   D71       -2.28553  -0.00011   0.02125  -0.00432   0.01692  -2.26861
   D72        0.88416  -0.00029   0.04192  -0.01062   0.03127   0.91544
   D73        0.90538  -0.00012   0.03099  -0.00787   0.02315   0.92853
   D74       -2.20811  -0.00031   0.05167  -0.01417   0.03750  -2.17061
   D75        0.01283  -0.00004   0.01259  -0.00410   0.00852   0.02135
   D76       -3.05072  -0.00019   0.02305  -0.01505   0.00794  -3.04277
   D77        3.11230   0.00009   0.00482   0.00281   0.00768   3.11999
   D78        0.04875  -0.00006   0.01528  -0.00814   0.00710   0.05586
   D79       -0.07600   0.00048  -0.01033   0.00962  -0.00110  -0.07710
   D80        3.13173   0.00004  -0.01367   0.00561  -0.00840   3.12333
   D81       -2.89025   0.00170  -0.06607   0.02404  -0.04173  -2.93199
   D82        0.31748   0.00126  -0.06941   0.02004  -0.04903   0.26845
   D83        0.00777  -0.00000   0.00398   0.02399   0.02779   0.03555
   D84       -2.23896   0.00095   0.01351   0.02460   0.03768  -2.20128
   D85        2.14295   0.00171   0.02278   0.02826   0.05111   2.19406
   D86        2.82237  -0.00110   0.05705   0.01105   0.06828   2.89064
   D87        0.57563  -0.00014   0.06658   0.01166   0.07817   0.65381
   D88       -1.32563   0.00062   0.07585   0.01532   0.09160  -1.23404
   D89        0.13594  -0.00004  -0.01524  -0.00767  -0.02290   0.11304
   D90       -3.02944  -0.00031  -0.01175  -0.00784  -0.01959  -3.04903
   D91       -3.06783   0.00034  -0.01232  -0.00379  -0.01612  -3.08395
   D92        0.04998   0.00007  -0.00882  -0.00397  -0.01281   0.03717
   D93        3.05220   0.00032   0.00961   0.00709   0.01667   3.06887
   D94       -0.15257   0.00053   0.00431   0.01283   0.01711  -0.13546
   D95       -0.02367  -0.00013   0.00636   0.00300   0.00936  -0.01432
   D96        3.05474   0.00008   0.00106   0.00873   0.00980   3.06455
   D97       -0.05442  -0.00025  -0.00043   0.00037  -0.00006  -0.05448
   D98        3.11022   0.00001  -0.00384   0.00049  -0.00332   3.10690
   D99       -0.03695   0.00003   0.00723   0.00122   0.00845  -0.02850
   D100       3.10653   0.00016   0.00012   0.00360   0.00371   3.11025
   D101       3.08214  -0.00024   0.01053   0.00108   0.01158   3.09372
   D102      -0.05756  -0.00010   0.00342   0.00346   0.00684  -0.05072
   D103      -0.01671   0.00013  -0.00211   0.00081  -0.00129  -0.01800
   D104       3.10522   0.00020  -0.00496   0.00341  -0.00153   3.10369
   D105      -3.09722  -0.00008   0.00295  -0.00482  -0.00189  -3.09911
   D106       0.02470   0.00000   0.00009  -0.00222  -0.00213   0.02258
   D107       0.03073  -0.00003   0.00009  -0.00358  -0.00348   0.02725
   D108      -3.12812  -0.00015   0.00532  -0.00546  -0.00013  -3.12825
   D109      -3.09117  -0.00011   0.00298  -0.00621  -0.00322  -3.09439
   D110       0.03316  -0.00024   0.00821  -0.00810   0.00013   0.03330
   D111      -0.00385  -0.00003  -0.00274   0.00254  -0.00019  -0.00404
   D112       3.13578  -0.00017   0.00470   0.00007   0.00473   3.14051
   D113      -3.12806   0.00009  -0.00809   0.00444  -0.00362  -3.13168
   D114       0.01157  -0.00005  -0.00066   0.00197   0.00130   0.01287
   D115      -2.17758  -0.00009   0.02619  -0.00902   0.01716  -2.16042
   D116       0.94022  -0.00004  -0.00033  -0.00649  -0.00682   0.93340
   D117       0.94631  -0.00021   0.03159  -0.01096   0.02062   0.96692
   D118      -2.21908  -0.00016   0.00507  -0.00843  -0.00336  -2.22244
   D119       3.12497   0.00003   0.00006   0.00070   0.00075   3.12572
   D120      -0.04487  -0.00007   0.00488  -0.00459   0.00030  -0.04457
   D121      -0.00397   0.00005  -0.00301   0.00232  -0.00069  -0.00466
   D122       3.10938  -0.00005   0.00181  -0.00296  -0.00114   3.10824
   D123      -3.12376  -0.00003  -0.00007  -0.00041  -0.00048  -3.12424
   D124      -0.00219  -0.00014   0.00888  -0.00728   0.00161  -0.00058
   D125       0.00508  -0.00004   0.00299  -0.00200   0.00099   0.00607
   D126       3.12664  -0.00015   0.01194  -0.00887   0.00308   3.12973
   D127      -3.12534  -0.00006   0.01202  -0.00314   0.00893  -3.11641
   D128       0.05792  -0.00004   0.00351  -0.00092   0.00264   0.06056
   D129      -0.00757   0.00008  -0.00551   0.00218  -0.00332  -0.01090
   D130      -3.10750   0.00010  -0.01402   0.00441  -0.00961  -3.11711
   D131       3.12180   0.00011  -0.01245   0.00412  -0.00829   3.11352
   D132       0.03280  -0.00000  -0.01322   0.00206  -0.01112   0.02168
   D133       0.00437  -0.00006   0.00533  -0.00130   0.00403   0.00840
   D134      -3.08463  -0.00017   0.00457  -0.00337   0.00119  -3.08344
   D135       3.12098   0.00003  -0.01840   0.00207  -0.01631   3.10467
   D136       0.00887   0.00005  -0.02336   0.00547  -0.01788  -0.00901
   D137      -0.00022  -0.00002   0.00432  -0.00011   0.00421   0.00399
   D138      -3.11233   0.00000  -0.00063   0.00329   0.00264  -3.10969
   D139      -3.12332  -0.00002   0.01783  -0.00164   0.01621  -3.10711
   D140       0.04859   0.00001   0.01497   0.00107   0.01605   0.06464
   D141      -0.00203   0.00003  -0.00479   0.00052  -0.00427  -0.00630
   D142      -3.11331   0.00006  -0.00765   0.00322  -0.00443  -3.11774
   D143       0.00773  -0.00007   0.00353  -0.00218   0.00134   0.00907
   D144      -3.12665   0.00002  -0.00233   0.00152  -0.00081  -3.12745
   D145       3.11152  -0.00009   0.01124  -0.00424   0.00701   3.11853
   D146      -0.02285  -0.00000   0.00537  -0.00053   0.00486  -0.01799
   D147       3.11778  -0.00001   0.00422  -0.00117   0.00303   3.12081
   D148      -0.01073  -0.00003   0.00114  -0.00102   0.00012  -0.01061
   D149       0.02249   0.00002  -0.00527   0.00133  -0.00395   0.01854
   D150      -3.10602   0.00001  -0.00835   0.00148  -0.00686  -3.11288
   D151      -0.00497   0.00003  -0.00026   0.00136   0.00111  -0.00386
   D152       3.11406   0.00009  -0.00469   0.00198  -0.00271   3.11135
   D153       3.12798  -0.00008   0.00674  -0.00309   0.00367   3.13165
   D154      -0.03618  -0.00002   0.00231  -0.00247  -0.00014  -0.03632
   D155       0.00665  -0.00002  -0.00178  -0.00047  -0.00226   0.00439
   D156      -3.14001  -0.00006   0.00099  -0.00175  -0.00077  -3.14077
   D157      -3.12543   0.00010  -0.00948   0.00442  -0.00508  -3.13051
   D158       0.01110   0.00006  -0.00671   0.00313  -0.00359   0.00751
   D159       0.00042   0.00002  -0.00310  -0.00005  -0.00315  -0.00273
   D160       3.09458   0.00009  -0.00242   0.00178  -0.00063   3.09395
   D161      -3.12230  -0.00004   0.00059  -0.00058   0.00001  -3.12229
   D162      -0.02813   0.00004   0.00127   0.00125   0.00253  -0.02560
   D163      -3.10500  -0.00014   0.00687  -0.00378   0.00310  -3.10190
   D164       0.02798  -0.00007   0.00632  -0.00104   0.00529   0.03327
   D165       0.01177  -0.00008   0.00200  -0.00309  -0.00109   0.01068
   D166      -3.13844  -0.00001   0.00145  -0.00035   0.00110  -3.13734
   D167       3.10725   0.00014  -0.00284   0.00405   0.00121   3.10847
   D168      -0.02535   0.00017  -0.00556   0.00374  -0.00182  -0.02717
   D169       0.02400   0.00003  -0.00371   0.00180  -0.00191   0.02208
   D170      -3.10861   0.00006  -0.00643   0.00148  -0.00494  -3.11355
   D171       0.00135  -0.00004   0.00187  -0.00173   0.00013   0.00148
   D172       3.13684  -0.00010   0.00793  -0.00282   0.00512  -3.14123
   D173      -3.11459   0.00005  -0.00255   0.00306   0.00050  -3.11409
   D174       0.02090  -0.00001   0.00351   0.00197   0.00549   0.02639
   D175      -3.12923   0.00011  -0.00678   0.00342  -0.00337  -3.13260
   D176      -0.00345   0.00017  -0.01031   0.00485  -0.00546  -0.00891
   D177      -0.01902  -0.00001  -0.00137  -0.00247  -0.00385  -0.02287
   D178       3.10676   0.00004  -0.00490  -0.00104  -0.00594   3.10082
   D179       0.00173   0.00001  -0.00004   0.00050   0.00046   0.00219
   D180      -3.13605   0.00005  -0.00673   0.00291  -0.00381  -3.13986
   D181      -3.13253   0.00009  -0.00734   0.00181  -0.00552  -3.13806
   D182       0.01288   0.00012  -0.01402   0.00421  -0.00980   0.00308
   D183      -0.00740   0.00002  -0.00315  -0.00017  -0.00333  -0.01073
   D184      -3.14058  -0.00002   0.00025  -0.00107  -0.00082  -3.14140
   D185       3.12613  -0.00006   0.00486  -0.00160   0.00325   3.12939
   D186      -0.00705  -0.00010   0.00826  -0.00250   0.00576  -0.00129
   D187      -0.00419   0.00002  -0.00180   0.00091  -0.00090  -0.00508
   D188      -3.12766   0.00012  -0.00994   0.00713  -0.00281  -3.13047
   D189       3.13423  -0.00001   0.00375  -0.00109   0.00266   3.13689
   D190       0.01076   0.00009  -0.00439   0.00512   0.00074   0.01151
   D191       3.13590  -0.00010   0.00984  -0.00606   0.00378   3.13968
   D192      -0.00404  -0.00006   0.00809  -0.00362   0.00447   0.00043
   D193      -0.00150  -0.00006   0.00250  -0.00341  -0.00092  -0.00241
   D194      -3.14143  -0.00002   0.00075  -0.00098  -0.00023   3.14153
   D195      -3.13164   0.00007  -0.00700   0.00453  -0.00248  -3.13412
   D196       0.00522   0.00005  -0.00537   0.00200  -0.00338   0.00184
   D197      -0.01227  -0.00006   0.00297  -0.00310  -0.00015  -0.01242
   D198       3.12459  -0.00008   0.00459  -0.00563  -0.00104   3.12354
   D199       0.00232  -0.00000  -0.00219  -0.00032  -0.00251  -0.00019
   D200      -3.13356   0.00005  -0.00669   0.00164  -0.00505  -3.13861
   D201       3.11726  -0.00003   0.00234  -0.00343  -0.00109   3.11617
   D202      -0.01863   0.00002  -0.00215  -0.00147  -0.00362  -0.02225
   D203       3.12480  -0.00004   0.00618  -0.00285   0.00333   3.12813
   D204      -0.01265  -0.00001   0.00436  -0.00074   0.00363  -0.00902
   D205       0.01593  -0.00001   0.00062   0.00096   0.00158   0.01751
   D206      -3.12152   0.00003  -0.00119   0.00307   0.00188  -3.11964
   D207      -0.00350   0.00002  -0.00072   0.00062  -0.00010  -0.00360
   D208       3.13283  -0.00006   0.00823  -0.00105   0.00718   3.14001
   D209       3.13125  -0.00005   0.00468  -0.00173   0.00294   3.13419
   D210      -0.01560  -0.00013   0.01362  -0.00340   0.01022  -0.00538
   D211       0.00798  -0.00003   0.00242   0.00088   0.00330   0.01128
   D212      -3.13907  -0.00002   0.00208  -0.00008   0.00201  -3.13706
   D213      -3.12608   0.00004  -0.00350   0.00346  -0.00004  -3.12612
   D214       0.01006   0.00005  -0.00384   0.00251  -0.00134   0.00872
   D215       0.00342  -0.00003   0.00338  -0.00070   0.00267   0.00610
   D216       3.11760  -0.00007   0.00600  -0.00318   0.00282   3.12042
   D217      -3.13379   0.00004  -0.00407   0.00068  -0.00339  -3.13718
   D218      -0.01961   0.00000  -0.00145  -0.00179  -0.00324  -0.02285
   D219      -3.12937   0.00009  -0.00795   0.00245  -0.00550  -3.13487
   D220       0.00323   0.00015  -0.01134   0.00355  -0.00780  -0.00457
   D221       0.00644  -0.00000   0.00188   0.00062   0.00251   0.00895
   D222       3.13904   0.00006  -0.00151   0.00171   0.00020   3.13924
   D223       3.12665  -0.00004   0.00345  -0.00135   0.00210   3.12876
   D224      -0.00535  -0.00004   0.00283  -0.00085   0.00198  -0.00337
   D225       0.01870   0.00000   0.00026   0.00167   0.00192   0.02063
   D226      -3.11330  -0.00000  -0.00036   0.00217   0.00180  -3.11150
   D227       0.00750   0.00005  -0.00275   0.00188  -0.00086   0.00664
   D228       3.14078   0.00007  -0.00363   0.00258  -0.00105   3.13972
   D229      -3.12546  -0.00002  -0.00220  -0.00086  -0.00306  -3.12852
   D230       0.00781   0.00000  -0.00308  -0.00017  -0.00325   0.00457
   D231      -0.01148   0.00003   0.00023   0.00124   0.00148  -0.01001
   D232       3.12003   0.00010  -0.00518   0.00392  -0.00125   3.11878
   D233       3.13841   0.00000   0.00111   0.00055   0.00166   3.14007
   D234      -0.01326   0.00007  -0.00429   0.00323  -0.00106  -0.01433
   D235      -0.00430  -0.00006   0.00296  -0.00303  -0.00007  -0.00437
   D236       3.12838  -0.00009   0.00565  -0.00272   0.00293   3.13131
   D237      -3.13586  -0.00013   0.00835  -0.00571   0.00264  -3.13321
   D238      -0.00317  -0.00016   0.01104  -0.00539   0.00565   0.00247
   D239      -0.00667  -0.00001   0.00176  -0.00117   0.00059  -0.00608
   D240       3.13894   0.00003  -0.00142   0.00082  -0.00060   3.13834
   D241       3.12192  -0.00000   0.00478  -0.00132   0.00347   3.12539
   D242      -0.01565   0.00005   0.00160   0.00067   0.00228  -0.01337
   D243      -0.00893  -0.00000   0.00167   0.00023   0.00190  -0.00703
   D244      -3.14096  -0.00000   0.00120   0.00008   0.00128  -3.13967
   D245       3.12862  -0.00005   0.00487  -0.00177   0.00310   3.13172
   D246      -0.00341  -0.00005   0.00439  -0.00191   0.00248  -0.00093
   D247       0.00879   0.00002  -0.00164   0.00061  -0.00103   0.00777
   D248      -3.12773   0.00006  -0.00442   0.00190  -0.00252  -3.13025
   D249       3.14079   0.00002  -0.00116   0.00076  -0.00040   3.14039
   D250       0.00427   0.00007  -0.00394   0.00205  -0.00190   0.00238
   D251      -0.00575   0.00000   0.00061  -0.00010   0.00051  -0.00524
   D252       3.13793   0.00003  -0.00063   0.00138   0.00075   3.13869
   D253       3.13418  -0.00004   0.00236  -0.00254  -0.00018   3.13400
   D254      -0.00532  -0.00001   0.00113  -0.00106   0.00007  -0.00525
   D255       0.00411   0.00003  -0.00204   0.00213   0.00009   0.00420
   D256       3.13750   0.00016  -0.00974   0.00673  -0.00302   3.13448
   D257      -3.13957   0.00001  -0.00081   0.00065  -0.00015  -3.13972
   D258      -0.00618   0.00013  -0.00851   0.00525  -0.00326  -0.00945
   D259       0.00487  -0.00000   0.00025  -0.00051  -0.00027   0.00460
   D260      -3.13200   0.00002  -0.00138   0.00200   0.00062  -3.13138
   D261      -3.12855  -0.00013   0.00792  -0.00509   0.00282  -3.12573
   D262       0.01777  -0.00011   0.00629  -0.00258   0.00370   0.02147
   D263       0.00427   0.00001  -0.00104   0.00125   0.00020   0.00447
   D264       3.13908   0.00004  -0.00165   0.00154  -0.00011   3.13897
   D265      -3.12157  -0.00004   0.00247  -0.00018   0.00228  -3.11929
   D266       0.01324  -0.00002   0.00186   0.00011   0.00197   0.01520
   D267       0.00872  -0.00001   0.00136   0.00049   0.00185   0.01057
   D268      -3.13861  -0.00003   0.00323  -0.00009   0.00313  -3.13548
   D269      -3.12606  -0.00003   0.00196   0.00020   0.00216  -3.12390
   D270       0.00978  -0.00005   0.00383  -0.00038   0.00345   0.01323
   D271      -0.00698  -0.00001   0.00080  -0.00103  -0.00023  -0.00721
   D272       3.12619   0.00003  -0.00261  -0.00013  -0.00274   3.12344
   D273       3.14037   0.00001  -0.00108  -0.00044  -0.00152   3.13885
   D274      -0.00964   0.00005  -0.00449   0.00046  -0.00403  -0.01368
   D275       0.00674  -0.00000  -0.00116   0.00057  -0.00059   0.00615
   D276       3.14082   0.00003  -0.00038   0.00128   0.00090  -3.14147
   D277      -3.12584  -0.00006   0.00223  -0.00051   0.00172  -3.12412
   D278       0.00823  -0.00003   0.00302   0.00019   0.00321   0.01144
   D279      -0.00749   0.00001  -0.00004  -0.00068  -0.00072  -0.00821
   D280       3.12894   0.00002   0.00048  -0.00061  -0.00013   3.12882
   D281      -3.14159  -0.00003  -0.00082  -0.00138  -0.00220   3.13939
   D282      -0.00515  -0.00002  -0.00031  -0.00130  -0.00161  -0.00676
   D283      -0.00522  -0.00000   0.00049  -0.00044   0.00005  -0.00517
   D284       3.12683   0.00000   0.00110  -0.00093   0.00017   3.12701
   D285       3.14151  -0.00001  -0.00003  -0.00051  -0.00054   3.14097
   D286      -0.00962  -0.00001   0.00059  -0.00100  -0.00042  -0.01004
   D287      -0.00313   0.00000   0.00060   0.00011   0.00071  -0.00242
   D288       3.13767   0.00005  -0.00115   0.00171   0.00056   3.13823
   D289       3.13435  -0.00003   0.00240  -0.00199   0.00041   3.13476
   D290      -0.00804   0.00001   0.00065  -0.00039   0.00027  -0.00778
   D291      -0.00710  -0.00001  -0.00031  -0.00066  -0.00097  -0.00807
   D292       3.14035  -0.00004   0.00080  -0.00155  -0.00075   3.13960
   D293       3.13529  -0.00005   0.00145  -0.00227  -0.00082   3.13447
   D294      -0.00045  -0.00008   0.00255  -0.00316  -0.00061  -0.00105
   D295       0.00452   0.00002  -0.00123   0.00015  -0.00108   0.00344
   D296      -3.13161   0.00001  -0.00089   0.00110   0.00022  -3.13140
   D297       3.14024   0.00005  -0.00234   0.00104  -0.00130   3.13894
   D298       0.00410   0.00004  -0.00199   0.00200   0.00000   0.00410
   D299       1.74479  -0.00391  -0.11499   0.00829  -0.10672   1.63807
   D300      -0.44571  -0.00157  -0.11830   0.01281  -0.10520  -0.55091
   D301      -2.66768  -0.00338  -0.12937   0.00387  -0.12576  -2.79345
   D302       1.87122   0.00014   0.25518   0.08213   0.33768   2.20890
   D303      -2.29820   0.00110   0.25280   0.08037   0.33312  -1.96509
   D304      -0.03920   0.00327   0.23540   0.08741   0.32249   0.28329
   D305      -2.31767  -0.00199   0.09967  -0.02895   0.07066  -2.24701
   D306      -0.20382  -0.00294   0.10030  -0.02425   0.07612  -0.12770
   D307       1.85697  -0.00180   0.10016  -0.02436   0.07577   1.93274
   D308       2.48978  -0.00038  -0.18649  -0.02860  -0.21507   2.27471
   D309      -1.69276  -0.00020  -0.18780  -0.03084  -0.21869  -1.91145
   D310       0.37309  -0.00070  -0.19408  -0.03372  -0.22777   0.14532
   D311      -3.09654  -0.00039  -0.03454   0.01689  -0.01765  -3.11418
   D312      -1.00956  -0.00040  -0.03307   0.01685  -0.01623  -1.02579
   D313       1.12578  -0.00049  -0.03208   0.01489  -0.01718   1.10860
   D314       1.10211   0.00085  -0.04330   0.00986  -0.03339   1.06872
   D315      -3.09410   0.00085  -0.04183   0.00981  -0.03197  -3.12608
   D316      -0.95876   0.00076  -0.04084   0.00786  -0.03292  -0.99169
   D317      -1.06727  -0.00008  -0.03045   0.01089  -0.01961  -1.08688
   D318       1.01970  -0.00008  -0.02898   0.01084  -0.01819   1.00151
   D319      -3.12814  -0.00017  -0.02798   0.00889  -0.01914   3.13590
   D320      -1.08661   0.00085  -0.02050   0.00892  -0.01157  -1.09818
   D321       1.00475  -0.00049  -0.00761   0.00778   0.00014   1.00488
   D322      -3.08886  -0.00017  -0.02199   0.00788  -0.01409  -3.10295
   D323       3.01573   0.00007  -0.12101   0.03671  -0.08432   2.93141
   D324      -1.16982  -0.00002  -0.11526   0.03472  -0.08055  -1.25037
   D325       0.93431  -0.00000  -0.11511   0.03483  -0.08032   0.85399
   D326       0.94791   0.00042  -0.11507   0.04285  -0.07222   0.87569
   D327       3.04555   0.00033  -0.10932   0.04086  -0.06844   2.97710
   D328      -1.13350   0.00035  -0.10917   0.04097  -0.06822  -1.20172
   D329      -1.18039   0.00044  -0.11711   0.04264  -0.07444  -1.25483
   D330       0.91725   0.00035  -0.11137   0.04065  -0.07067   0.84658
   D331       3.02139   0.00037  -0.11122   0.04076  -0.07045   2.95094
         Item               Value     Threshold  Converged?
 Maximum Force            0.005512     0.000450     NO 
 RMS     Force            0.000614     0.000300     NO 
 Maximum Displacement     0.706445     0.001800     NO 
 RMS     Displacement     0.157371     0.001200     NO 
 Predicted change in Energy=-1.122860D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.667307    3.199423   -0.028275
      2          6           0       -2.813041    1.826695    0.182389
      3          6           0       -1.711327    0.970540    0.080423
      4          6           0       -0.435742    1.519410   -0.153473
      5          6           0       -0.300852    2.890406   -0.399359
      6          6           0       -1.408122    3.725960   -0.354819
      7          6           0       -1.827161   -0.492712    0.108277
      8          6           0       -0.684609   -1.288832    0.379375
      9          6           0        0.593288   -0.620361    0.678087
     10          6           0        0.757428    0.668151   -0.034637
     11          6           0       -3.024167   -1.111039   -0.269151
     12          6           0       -3.111703   -2.495876   -0.414359
     13          6           0       -1.963120   -3.275591   -0.225205
     14          6           0       -0.773735   -2.674446    0.151987
     15          7           0        1.738524   -1.354751    0.944164
     16          6           0        2.998385   -0.846271    0.518037
     17          6           0        3.023908    0.345129   -0.245231
     18          7           0        1.890785    1.100647   -0.480505
     19          6           0        4.218902   -1.497687    0.754383
     20          6           0        5.410015   -0.998336    0.241057
     21          6           0        5.428387    0.160586   -0.547480
     22          6           0        4.229204    0.822819   -0.780118
     23          7           0       -3.788649    4.060482    0.087118
     24          7           0       -4.326374   -3.100385   -0.812642
     25          7           0        6.647517    0.651934   -1.079313
     26          6           0       -4.944170   -4.181509   -0.168355
     27          6           0       -6.121953   -4.526615   -0.876446
     28          6           0       -6.214496   -3.623125   -2.004494
     29          6           0       -5.092229   -2.759636   -1.936521
     30          6           0       -3.862625    5.198138    0.901811
     31          6           0       -5.131286    5.805612    0.730163
     32          6           0       -5.857305    4.999237   -0.228756
     33          6           0       -5.001537    3.930864   -0.600185
     34          6           0        7.168740    1.937307   -0.886137
     35          6           0        8.425343    2.025747   -1.537033
     36          6           0        8.673684    0.737947   -2.149499
     37          6           0        7.560588   -0.085272   -1.843203
     38          6           0       -7.122595   -3.494007   -3.060924
     39          6           0       -6.898054   -2.525528   -4.033982
     40          6           0       -5.770134   -1.691718   -3.963446
     41          6           0       -4.852381   -1.796637   -2.920356
     42          6           0       -4.569539   -4.847990    1.000523
     43          6           0       -5.385951   -5.887786    1.440741
     44          6           0       -6.549085   -6.252882    0.743249
     45          6           0       -6.924426   -5.573907   -0.411939
     46          6           0       -7.134124    5.088429   -0.793325
     47          6           0       -7.538378    4.125282   -1.713031
     48          6           0       -6.675414    3.078837   -2.077021
     49          6           0       -5.398705    2.967716   -1.530838
     50          6           0       -2.919067    5.713130    1.794427
     51          6           0       -3.256179    6.868014    2.496083
     52          6           0       -4.501222    7.495809    2.322099
     53          6           0       -5.442899    6.967641    1.445212
     54          6           0        9.724579    0.220609   -2.914936
     55          6           0        9.650289   -1.091936   -3.370170
     56          6           0        8.532022   -1.888481   -3.073149
     57          6           0        7.473241   -1.399086   -2.311351
     58          6           0        6.642799    3.012381   -0.165234
     59          6           0        7.385911    4.190011   -0.122439
     60          6           0        8.623918    4.300125   -0.776470
     61          6           0        9.148772    3.222285   -1.482480
     62          8           0        0.312792   -2.815943    2.723379
     63         15           0        1.664419   -2.663665    2.170887
     64          8           0        2.833713   -2.370536    3.224079
     65          8           0        2.212677   -3.900344    1.326827
     66          6           0        2.515151   -1.600949    4.446237
     67          6           0        3.499823   -0.462338    4.592635
     68          6           0        3.293673   -4.828887    1.609292
     69          6           0        2.775485   -6.241268    1.415442
     70          1           0       -3.784218    1.440763    0.468182
     71          1           0        0.685598    3.287980   -0.606053
     72          1           0       -1.305339    4.788199   -0.547090
     73          1           0       -3.893459   -0.506343   -0.494931
     74          1           0       -1.998832   -4.342537   -0.413376
     75          1           0        0.108568   -3.297329    0.195911
     76          1           0        4.274700   -2.367828    1.385549
     77          1           0        6.340847   -1.504457    0.470596
     78          1           0        4.188997    1.722894   -1.381495
     79          1           0       -7.988527   -4.146791   -3.122266
     80          1           0       -7.594643   -2.416924   -4.859435
     81          1           0       -5.600021   -0.955324   -4.744039
     82          1           0       -3.980818   -1.153673   -2.882256
     83          1           0       -3.681061   -4.563729    1.554546
     84          1           0       -5.114304   -6.423460    2.345418
     85          1           0       -7.163755   -7.066833    1.114905
     86          1           0       -7.829785   -5.850466   -0.944481
     87          1           0       -7.800687    5.901573   -0.518071
     88          1           0       -8.528082    4.182978   -2.155523
     89          1           0       -7.009848    2.332251   -2.791196
     90          1           0       -4.736588    2.161511   -1.825406
     91          1           0       -1.964072    5.224245    1.950503
     92          1           0       -2.540985    7.286781    3.197721
     93          1           0       -4.729127    8.398144    2.881028
     94          1           0       -6.411669    7.443658    1.323453
     95          1           0       10.582509    0.840509   -3.159034
     96          1           0       10.459337   -1.504618   -3.964755
     97          1           0        8.487086   -2.906995   -3.447629
     98          1           0        6.608517   -2.017396   -2.098885
     99          1           0        5.691422    2.937179    0.348778
    100          1           0        6.995532    5.039972    0.429233
    101          1           0        9.176599    5.232930   -0.724618
    102          1           0       10.110798    3.305321   -1.980139
    103          1           0        1.494187   -1.225101    4.374972
    104          1           0        2.594344   -2.320822    5.264999
    105          1           0        3.272363    0.082958    5.514096
    106          1           0        4.531332   -0.824029    4.649707
    107          1           0        3.405743    0.239673    3.761150
    108          1           0        4.105080   -4.607527    0.910763
    109          1           0        3.647539   -4.660630    2.629477
    110          1           0        3.615871   -6.942953    1.411575
    111          1           0        2.083887   -6.526600    2.211931
    112          1           0        2.255420   -6.323713    0.457243
    113         17           0        0.161989    0.472320    2.745351
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0350700           0.0181708           0.0142038
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10673.9689137904 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.67D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999942    0.010232    0.001760   -0.003025 Ang=   1.24 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47750739     A.U. after   13 cycles
            NFock= 13  Conv=0.69D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001234739    0.000204883    0.000324463
      2        6          -0.000718316    0.000435670   -0.000636656
      3        6          -0.000138738    0.001053366   -0.000455115
      4        6           0.001285840   -0.000037485    0.000772565
      5        6          -0.000578641    0.001105463   -0.000078162
      6        6           0.001047579    0.000251965    0.000173947
      7        6          -0.000149222   -0.001273011    0.000550392
      8        6          -0.002398623   -0.003657447   -0.005466237
      9        6          -0.005667494    0.002381480    0.004452952
     10        6          -0.001654803    0.001224942    0.001533430
     11        6          -0.000328246    0.000204004    0.000470509
     12        6          -0.000106047   -0.000078368   -0.000599754
     13        6           0.000059550   -0.000237395    0.000335405
     14        6           0.000099570    0.000573739   -0.000625642
     15        7           0.007904062   -0.002830589   -0.000358478
     16        6          -0.002039997   -0.002559280    0.000054388
     17        6          -0.003636195    0.002468536    0.000538505
     18        7           0.004541879   -0.000597445   -0.001143123
     19        6           0.001813884    0.000314370    0.000466700
     20        6          -0.000981768   -0.001908687    0.001685146
     21        6          -0.000578096    0.002375930   -0.001711211
     22        6           0.002196098    0.000411102   -0.000901818
     23        7           0.001455228   -0.000786894    0.000088914
     24        7           0.000654978    0.000070237    0.000271107
     25        7          -0.000980618   -0.001657098    0.001056831
     26        6          -0.000192146   -0.000596812    0.000159118
     27        6           0.000247289    0.000374648   -0.000191141
     28        6          -0.000024687   -0.000222922   -0.000193377
     29        6          -0.000374112    0.000255402   -0.000332919
     30        6           0.000490728    0.001250100   -0.000068290
     31        6           0.000015747    0.000635328   -0.000909701
     32        6           0.000261345   -0.000515235    0.000444321
     33        6          -0.001309745   -0.000863083    0.000305717
     34        6           0.000482572    0.001780823    0.000133634
     35        6          -0.000708387    0.000338143   -0.000568062
     36        6           0.000491655   -0.000543838    0.000706696
     37        6           0.000681663   -0.000316933   -0.000551452
     38        6          -0.000268508   -0.000222899    0.000301523
     39        6          -0.000094616    0.000268434   -0.000271383
     40        6           0.000152802    0.000280584   -0.000681106
     41        6          -0.000310011    0.000388085    0.000429635
     42        6           0.000482453   -0.000029805    0.000678195
     43        6           0.000403187    0.000003175    0.000144896
     44        6          -0.000290648   -0.000093729    0.000096150
     45        6          -0.000261204   -0.000351872    0.000054740
     46        6          -0.000543328    0.000428132   -0.000177830
     47        6          -0.000294035    0.000285838   -0.000024833
     48        6          -0.000106417   -0.000565322    0.000146442
     49        6           0.000267778    0.000138285   -0.000384566
     50        6           0.000037641   -0.000453316    0.000285681
     51        6          -0.000019110    0.000187639    0.000371673
     52        6           0.000302725    0.000217385    0.000064804
     53        6          -0.000485814   -0.000479635    0.000271436
     54        6          -0.000166183    0.000534520   -0.000553134
     55        6           0.000033701   -0.000262913   -0.000209518
     56        6           0.000052092   -0.000180296   -0.000112019
     57        6          -0.000239783    0.000059735    0.000050530
     58        6          -0.000249966   -0.000113118    0.000071219
     59        6          -0.000291735    0.000054122    0.000103655
     60        6           0.000283869    0.000027605   -0.000003553
     61        6           0.000467350    0.000074985    0.000202313
     62        8          -0.001319237   -0.001103855    0.001507697
     63       15           0.000057887   -0.002154048    0.005500648
     64        8          -0.002922668    0.003529884   -0.003837320
     65        8           0.003507279    0.004160418   -0.006626134
     66        6           0.001687812    0.000259746    0.001757416
     67        6           0.001333308    0.000116797   -0.000269855
     68        6          -0.002451748   -0.001606374    0.004896557
     69        6           0.000511407   -0.000502456   -0.000531805
     70        1          -0.000407610   -0.000180410   -0.000934350
     71        1           0.000232146   -0.000004300    0.000147714
     72        1          -0.000140024   -0.000003783   -0.000065387
     73        1          -0.000412374   -0.000141458    0.000832692
     74        1          -0.000046284    0.000115660   -0.000246850
     75        1          -0.000264071    0.000189390    0.000384448
     76        1          -0.000400775   -0.001225167   -0.000200466
     77        1           0.000218162   -0.000136313   -0.000401524
     78        1          -0.000083708    0.000291401    0.000027536
     79        1           0.000065229   -0.000102281   -0.000070347
     80        1          -0.000009170    0.000032480    0.000008069
     81        1          -0.000178432   -0.000039510    0.000482027
     82        1           0.000502498   -0.000049908   -0.000156407
     83        1          -0.000369146   -0.000136300   -0.000201062
     84        1          -0.000101566    0.000047491    0.000081251
     85        1           0.000070993   -0.000075514   -0.000069626
     86        1          -0.000055508    0.000074813    0.000003329
     87        1           0.000312472   -0.000270542   -0.000083756
     88        1           0.000024704   -0.000114201    0.000068429
     89        1           0.000120597    0.000304884   -0.000312736
     90        1           0.000067133   -0.000145684   -0.000101584
     91        1           0.000168918    0.000197010   -0.000201644
     92        1           0.000120980    0.000014636   -0.000058983
     93        1          -0.000053701   -0.000115359    0.000112094
     94        1           0.000044217    0.000129826   -0.000157756
     95        1           0.000104445   -0.000076061    0.000241102
     96        1          -0.000007153    0.000037150   -0.000022007
     97        1          -0.000034308    0.000038241    0.000057159
     98        1          -0.000205092   -0.000192411    0.000157200
     99        1          -0.000225450   -0.000099900    0.000070456
    100        1           0.000012017   -0.000059476    0.000087000
    101        1          -0.000061842    0.000076668   -0.000100856
    102        1          -0.000042170   -0.000071369    0.000010948
    103        1          -0.000467569   -0.001416302    0.000058300
    104        1          -0.000688145    0.000123290   -0.000047278
    105        1           0.000313377   -0.000264112    0.000396217
    106        1          -0.000343322    0.000352930   -0.000244546
    107        1          -0.000041174   -0.000116611   -0.000293217
    108        1          -0.000627151    0.001220536   -0.000619604
    109        1           0.001105563   -0.000017954   -0.000557616
    110        1          -0.000176161   -0.000382332    0.000678915
    111        1          -0.000460748    0.000377572   -0.000130519
    112        1           0.000638466   -0.000296587   -0.000280978
    113       17           0.002585413    0.000186527   -0.001331542
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007904062 RMS     0.001234772

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.014337023 RMS     0.001076902
 Search for a local minimum.
 Step number  19 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   18   19
 DE= -1.28D-03 DEPred=-1.12D-03 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 8.52D-01 DXNew= 3.1624D+00 2.5554D+00
 Trust test= 1.14D+00 RLast= 8.52D-01 DXMaxT set to 2.56D+00
 ITU=  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00089   0.00655   0.00733   0.00965   0.01212
     Eigenvalues ---    0.01468   0.01845   0.02184   0.02432   0.02485
     Eigenvalues ---    0.02495   0.02541   0.02556   0.02586   0.02602
     Eigenvalues ---    0.02635   0.02651   0.02678   0.02680   0.02697
     Eigenvalues ---    0.02702   0.02711   0.02717   0.02732   0.02744
     Eigenvalues ---    0.02751   0.02770   0.02786   0.02794   0.02802
     Eigenvalues ---    0.02807   0.02812   0.02812   0.02814   0.02827
     Eigenvalues ---    0.02844   0.02853   0.02861   0.02870   0.02871
     Eigenvalues ---    0.02876   0.02887   0.02891   0.02899   0.02901
     Eigenvalues ---    0.02904   0.02906   0.02917   0.02917   0.02920
     Eigenvalues ---    0.02921   0.02926   0.02943   0.02947   0.02950
     Eigenvalues ---    0.02950   0.02952   0.02953   0.02955   0.02964
     Eigenvalues ---    0.02964   0.02965   0.02967   0.02972   0.02976
     Eigenvalues ---    0.02986   0.02990   0.02992   0.02999   0.03010
     Eigenvalues ---    0.03012   0.03021   0.03030   0.03043   0.03056
     Eigenvalues ---    0.03059   0.03065   0.03075   0.03084   0.03088
     Eigenvalues ---    0.03097   0.03108   0.03121   0.03123   0.03132
     Eigenvalues ---    0.03143   0.03167   0.03168   0.03177   0.03192
     Eigenvalues ---    0.03223   0.03235   0.03247   0.03265   0.03278
     Eigenvalues ---    0.03315   0.03360   0.03581   0.04132   0.05412
     Eigenvalues ---    0.05427   0.05707   0.05793   0.05829   0.05878
     Eigenvalues ---    0.05921   0.06221   0.06573   0.08455   0.11435
     Eigenvalues ---    0.11693   0.12179   0.12738   0.13283   0.13679
     Eigenvalues ---    0.14932   0.15930   0.15962   0.15976   0.15977
     Eigenvalues ---    0.15985   0.15989   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16006   0.16008
     Eigenvalues ---    0.16012   0.16015   0.16057   0.16101   0.17890
     Eigenvalues ---    0.19875   0.20677   0.21575   0.21940   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22001   0.22003   0.22017
     Eigenvalues ---    0.22236   0.22359   0.22400   0.22529   0.22594
     Eigenvalues ---    0.22599   0.22605   0.22622   0.22668   0.22858
     Eigenvalues ---    0.23323   0.23391   0.23463   0.23615   0.24164
     Eigenvalues ---    0.24358   0.24466   0.24486   0.24493   0.24509
     Eigenvalues ---    0.24519   0.24546   0.24588   0.24694   0.24775
     Eigenvalues ---    0.24909   0.24953   0.24963   0.24970   0.24980
     Eigenvalues ---    0.24986   0.24992   0.24994   0.24996   0.25010
     Eigenvalues ---    0.25160   0.25430   0.25645   0.25894   0.26506
     Eigenvalues ---    0.26902   0.27206   0.28201   0.28714   0.28788
     Eigenvalues ---    0.28861   0.29214   0.29330   0.29641   0.29986
     Eigenvalues ---    0.30182   0.30462   0.30656   0.30745   0.30789
     Eigenvalues ---    0.30915   0.31069   0.31166   0.31263   0.31362
     Eigenvalues ---    0.31392   0.31494   0.31726   0.32137   0.32232
     Eigenvalues ---    0.32606   0.32768   0.33156   0.33537   0.33884
     Eigenvalues ---    0.33971   0.34027   0.34278   0.34498   0.34670
     Eigenvalues ---    0.34937   0.35019   0.35156   0.35479   0.35584
     Eigenvalues ---    0.36236   0.36401   0.36784   0.37137   0.37309
     Eigenvalues ---    0.38975   0.39952   0.41481   0.41539   0.42037
     Eigenvalues ---    0.42453   0.42797   0.43396   0.43873   0.45267
     Eigenvalues ---    0.46486   0.47075   0.47093   0.47167   0.47422
     Eigenvalues ---    0.47641   0.48048   0.48961   0.49827   0.50379
     Eigenvalues ---    0.50455   0.50571   0.51081   0.51717   0.52033
     Eigenvalues ---    0.52101   0.52263   0.52560   0.52826   0.53107
     Eigenvalues ---    0.53287   0.53617   0.53786   0.54292   0.54404
     Eigenvalues ---    0.55071   0.55305   0.55402   0.55626   0.55775
     Eigenvalues ---    0.55969   0.56144   0.56195   0.56463   0.56659
     Eigenvalues ---    0.56928   0.57039   0.57169   0.57252   0.57923
     Eigenvalues ---    0.58233   0.58283   0.58334   0.58440   0.58535
     Eigenvalues ---    0.58621   0.58920   0.59036   0.59447   0.59666
     Eigenvalues ---    0.59808   0.60008   0.60582   0.60770   0.61059
     Eigenvalues ---    0.62015   0.62558   0.63271   0.63580   0.64473
     Eigenvalues ---    0.65302   0.66048   0.66770   0.67817   0.68874
     Eigenvalues ---    0.72115   0.73223   0.74623   0.79317   0.81564
     Eigenvalues ---    0.82712   0.86305   1.80982
 RFO step:  Lambda=-2.83373099D-03 EMin= 8.91344685D-04
 Quartic linear search produced a step of  0.19489.
 Iteration  1 RMS(Cart)=  0.06776437 RMS(Int)=  0.00397161
 Iteration  2 RMS(Cart)=  0.02051365 RMS(Int)=  0.00027629
 Iteration  3 RMS(Cart)=  0.00061305 RMS(Int)=  0.00012167
 Iteration  4 RMS(Cart)=  0.00000056 RMS(Int)=  0.00012167
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63886   0.00002   0.00059   0.00137   0.00198   2.64084
    R2        2.65197   0.00075  -0.00018   0.00039   0.00025   2.65221
    R3        2.68058  -0.00106  -0.00014  -0.00195  -0.00209   2.67849
    R4        2.64371   0.00050  -0.00092  -0.00118  -0.00212   2.64159
    R5        2.04737   0.00017   0.00005  -0.00050  -0.00045   2.04692
    R6        2.66115   0.00139  -0.00033   0.00100   0.00046   2.66161
    R7        2.77430   0.00205   0.00007   0.00300   0.00293   2.77723
    R8        2.64446   0.00100  -0.00039   0.00032  -0.00008   2.64438
    R9        2.77887   0.00013   0.00089   0.00155   0.00242   2.78130
   R10        2.62269  -0.00020   0.00057   0.00024   0.00084   2.62353
   R11        2.04743   0.00017   0.00006   0.00007   0.00013   2.04756
   R12        2.04918   0.00000  -0.00007  -0.00020  -0.00027   2.04892
   R13        2.68097   0.00072  -0.00122  -0.00232  -0.00354   2.67742
   R14        2.64400   0.00007  -0.00039  -0.00032  -0.00072   2.64328
   R15        2.78317   0.00490   0.00434   0.01291   0.01738   2.80054
   R16        2.65879  -0.00046  -0.00101  -0.00311  -0.00411   2.65469
   R17        2.79984   0.00169   0.00402   0.00933   0.01378   2.81362
   R18        2.61963   0.00803   0.00192   0.01142   0.01362   2.63325
   R19        2.44232   0.00306  -0.00209  -0.00150  -0.00360   2.43871
   R20        2.63650   0.00010  -0.00001   0.00045   0.00044   2.63694
   R21        2.04606   0.00021   0.00021   0.00002   0.00023   2.04629
   R22        2.64763   0.00021  -0.00089  -0.00129  -0.00218   2.64545
   R23        2.67213  -0.00013   0.00082   0.00110   0.00193   2.67406
   R24        2.61731   0.00034   0.00113   0.00204   0.00318   2.62050
   R25        2.04846  -0.00004   0.00003   0.00004   0.00008   2.04854
   R26        2.04263  -0.00035  -0.00022  -0.00014  -0.00035   2.04228
   R27        2.69071  -0.00296   0.00135  -0.00110   0.00027   2.69098
   R28        3.39289  -0.00179  -0.00753  -0.02223  -0.02976   3.36313
   R29        2.67426   0.00152  -0.00123  -0.00177  -0.00328   2.67098
   R30        2.65227   0.00067  -0.00054  -0.00009  -0.00063   2.65164
   R31        2.61174  -0.00226   0.00230   0.00087   0.00289   2.61464
   R32        2.65036   0.00159  -0.00120  -0.00096  -0.00218   2.64818
   R33        2.62638  -0.00104   0.00071  -0.00025   0.00048   2.62686
   R34        2.03410   0.00089  -0.00009   0.00140   0.00131   2.03541
   R35        2.64914   0.00223  -0.00102   0.00088  -0.00013   2.64902
   R36        2.04867   0.00021   0.00001   0.00009   0.00010   2.04877
   R37        2.62578  -0.00067   0.00070   0.00037   0.00107   2.62685
   R38        2.67951  -0.00106   0.00023  -0.00137  -0.00113   2.67838
   R39        2.04702   0.00026  -0.00002  -0.00014  -0.00015   2.04687
   R40        2.64795   0.00060   0.00011   0.00134   0.00145   2.64940
   R41        2.64581   0.00095   0.00020   0.00211   0.00231   2.64812
   R42        2.64940   0.00074  -0.00067  -0.00046  -0.00113   2.64827
   R43        2.64949   0.00040  -0.00052  -0.00020  -0.00072   2.64877
   R44        2.64641   0.00117  -0.00024   0.00129   0.00105   2.64746
   R45        2.64609   0.00039  -0.00008   0.00066   0.00059   2.64668
   R46        2.67759   0.00023   0.00012  -0.00005   0.00007   2.67766
   R47        2.63941   0.00052  -0.00008   0.00006  -0.00001   2.63940
   R48        2.73675   0.00043  -0.00010  -0.00029  -0.00039   2.73635
   R49        2.64329   0.00049  -0.00001   0.00029   0.00028   2.64357
   R50        2.67896   0.00014   0.00011   0.00026   0.00037   2.67933
   R51        2.64383   0.00021   0.00001  -0.00004  -0.00003   2.64381
   R52        2.64077   0.00019   0.00001   0.00006   0.00006   2.64083
   R53        2.67781   0.00032  -0.00007  -0.00021  -0.00028   2.67752
   R54        2.64040   0.00023  -0.00001  -0.00001  -0.00002   2.64038
   R55        2.73643   0.00039  -0.00010  -0.00065  -0.00075   2.73568
   R56        2.64475   0.00013  -0.00006  -0.00022  -0.00028   2.64447
   R57        2.68029  -0.00014  -0.00010  -0.00068  -0.00078   2.67952
   R58        2.64356   0.00040  -0.00005   0.00022   0.00017   2.64374
   R59        2.63988   0.00035  -0.00001   0.00033   0.00032   2.64020
   R60        2.67951  -0.00003   0.00003  -0.00046  -0.00043   2.67908
   R61        2.64028   0.00004  -0.00002  -0.00005  -0.00007   2.64021
   R62        2.73535   0.00073  -0.00013  -0.00010  -0.00023   2.73512
   R63        2.64429   0.00023  -0.00006   0.00001  -0.00005   2.64423
   R64        2.67948   0.00008  -0.00004  -0.00042  -0.00046   2.67902
   R65        2.64421   0.00020  -0.00001  -0.00000  -0.00002   2.64419
   R66        2.64082   0.00000  -0.00003  -0.00012  -0.00015   2.64067
   R67        2.62883   0.00062  -0.00006   0.00013   0.00006   2.62890
   R68        2.05253   0.00003   0.00001   0.00003   0.00004   2.05257
   R69        2.65398   0.00025   0.00005  -0.00011  -0.00006   2.65393
   R70        2.05138   0.00000  -0.00003  -0.00007  -0.00011   2.05127
   R71        2.63298   0.00021  -0.00006  -0.00005  -0.00011   2.63287
   R72        2.05324  -0.00035   0.00002  -0.00032  -0.00030   2.05294
   R73        2.04796   0.00033  -0.00001  -0.00013  -0.00014   2.04782
   R74        2.63310   0.00003  -0.00007  -0.00029  -0.00036   2.63274
   R75        2.05028  -0.00044  -0.00002  -0.00004  -0.00006   2.05021
   R76        2.65416   0.00037   0.00003   0.00023   0.00026   2.65442
   R77        2.05206  -0.00000   0.00001   0.00002   0.00002   2.05208
   R78        2.62960   0.00025  -0.00005  -0.00020  -0.00024   2.62936
   R79        2.05143   0.00001  -0.00001  -0.00001  -0.00002   2.05141
   R80        2.05256   0.00002   0.00001   0.00003   0.00004   2.05260
   R81        2.63000   0.00013  -0.00005  -0.00040  -0.00045   2.62956
   R82        2.05388  -0.00041  -0.00003  -0.00013  -0.00016   2.05372
   R83        2.65387   0.00035  -0.00005   0.00009   0.00004   2.65391
   R84        2.05159  -0.00005  -0.00001  -0.00003  -0.00004   2.05155
   R85        2.63252   0.00019  -0.00001   0.00007   0.00007   2.63259
   R86        2.05214  -0.00000  -0.00004   0.00004  -0.00000   2.05214
   R87        2.04853   0.00018  -0.00007  -0.00026  -0.00033   2.04820
   R88        2.63190   0.00023  -0.00002   0.00017   0.00015   2.63205
   R89        2.04875   0.00008  -0.00008  -0.00023  -0.00032   2.04843
   R90        2.65540   0.00013  -0.00009  -0.00059  -0.00069   2.65472
   R91        2.05204   0.00005  -0.00001  -0.00002  -0.00003   2.05201
   R92        2.62845   0.00053  -0.00008   0.00003  -0.00005   2.62840
   R93        2.05151  -0.00000   0.00000  -0.00002  -0.00002   2.05148
   R94        2.05271   0.00001  -0.00001  -0.00004  -0.00005   2.05266
   R95        2.62905   0.00048  -0.00007   0.00010   0.00004   2.62909
   R96        2.05269  -0.00002  -0.00004  -0.00011  -0.00015   2.05253
   R97        2.65453   0.00023  -0.00002  -0.00029  -0.00032   2.65421
   R98        2.05137  -0.00000  -0.00002  -0.00000  -0.00002   2.05135
   R99        2.63267   0.00014  -0.00004   0.00006   0.00002   2.63269
   R100       2.05244  -0.00006  -0.00001  -0.00005  -0.00007   2.05237
   R101       2.04859   0.00030  -0.00004  -0.00006  -0.00010   2.04848
   R102       2.63267   0.00006  -0.00005  -0.00011  -0.00017   2.63250
   R103       2.04840   0.00025  -0.00001   0.00002   0.00001   2.04841
   R104       2.65407   0.00049  -0.00005   0.00010   0.00004   2.65411
   R105       2.05205   0.00001   0.00002   0.00004   0.00006   2.05211
   R106       2.62914   0.00025  -0.00004  -0.00018  -0.00021   2.62892
   R107       2.05126   0.00003  -0.00002  -0.00003  -0.00004   2.05122
   R108       2.05282  -0.00006   0.00001   0.00000   0.00001   2.05283
   R109       2.77432   0.00205   0.00026   0.00255   0.00281   2.77712
   R110       3.02497  -0.00081   0.00279   0.00659   0.00938   3.03435
   R111       3.01315   0.00082  -0.00048  -0.00097  -0.00145   3.01170
   R112       2.79489  -0.00118  -0.00069   0.00044  -0.00026   2.79463
   R113       2.74533  -0.00024   0.00102   0.00212   0.00314   2.74847
   R114       2.85808   0.00074   0.00042   0.00144   0.00186   2.85994
   R115       2.06033  -0.00240   0.00011  -0.00132  -0.00122   2.05911
   R116       2.06565  -0.00025  -0.00006  -0.00001  -0.00007   2.06558
   R117       2.06852   0.00020   0.00000   0.00045   0.00045   2.06897
   R118       2.06844  -0.00041  -0.00007  -0.00054  -0.00060   2.06784
   R119       2.06408   0.00012   0.00006   0.00042   0.00049   2.06457
   R120       2.86648   0.00068   0.00023   0.00261   0.00284   2.86932
   R121       2.06606   0.00041  -0.00005   0.00072   0.00067   2.06673
   R122       2.06518  -0.00011  -0.00039  -0.00115  -0.00154   2.06364
   R123       2.06891  -0.00002   0.00001  -0.00004  -0.00003   2.06888
   R124       2.06501   0.00001  -0.00001  -0.00004  -0.00005   2.06496
   R125       2.06613  -0.00009  -0.00001  -0.00011  -0.00011   2.06602
   R126       5.10983  -0.00075   0.00286  -0.03454  -0.03168   5.07815
    A1        2.09160   0.00028  -0.00015  -0.00072  -0.00087   2.09073
    A2        2.09665  -0.00053  -0.00005  -0.00002  -0.00007   2.09658
    A3        2.09494   0.00024   0.00019   0.00074   0.00093   2.09587
    A4        2.10414  -0.00002  -0.00062  -0.00026  -0.00096   2.10318
    A5        2.07546   0.00006   0.00148   0.00297   0.00448   2.07994
    A6        2.10267  -0.00002  -0.00086  -0.00236  -0.00320   2.09947
    A7        2.07935  -0.00013   0.00098   0.00165   0.00272   2.08207
    A8        2.14891  -0.00053   0.00033  -0.00201  -0.00141   2.14750
    A9        2.05228   0.00063  -0.00143  -0.00038  -0.00225   2.05003
   A10        2.09249  -0.00017  -0.00039  -0.00117  -0.00154   2.09096
   A11        2.08969  -0.00001  -0.00098  -0.00044  -0.00163   2.08806
   A12        2.09801   0.00021   0.00113   0.00160   0.00288   2.10089
   A13        2.10283   0.00003  -0.00026   0.00031  -0.00000   2.10282
   A14        2.07235  -0.00013   0.00038  -0.00024   0.00016   2.07251
   A15        2.10783   0.00010  -0.00012  -0.00001  -0.00010   2.10773
   A16        2.09144   0.00005   0.00021   0.00080   0.00101   2.09245
   A17        2.08730  -0.00015   0.00004  -0.00013  -0.00010   2.08720
   A18        2.10416   0.00011  -0.00026  -0.00049  -0.00076   2.10340
   A19        2.09369   0.00033  -0.00037   0.00127   0.00070   2.09439
   A20        2.09770  -0.00040  -0.00141  -0.00270  -0.00404   2.09366
   A21        2.08581   0.00006   0.00140   0.00083   0.00228   2.08810
   A22        2.07469  -0.00108  -0.00139  -0.00465  -0.00599   2.06870
   A23        2.06093  -0.00012  -0.00068   0.00024  -0.00049   2.06044
   A24        2.13499   0.00122   0.00140   0.00512   0.00648   2.14147
   A25        1.97500   0.00002  -0.00540  -0.00930  -0.01608   1.95892
   A26        2.11215   0.00172  -0.00318  -0.00877  -0.01382   2.09833
   A27        2.05051  -0.00230  -0.00246  -0.00971  -0.01331   2.03721
   A28        2.04027   0.00030  -0.00241  -0.00433  -0.00681   2.03346
   A29        2.08281   0.00011   0.00054   0.00124   0.00147   2.08428
   A30        2.15811  -0.00038   0.00156   0.00329   0.00510   2.16321
   A31        2.11813  -0.00008  -0.00057  -0.00072  -0.00132   2.11680
   A32        2.09014   0.00014  -0.00057  -0.00134  -0.00191   2.08824
   A33        2.07405  -0.00005   0.00106   0.00221   0.00328   2.07733
   A34        2.07934  -0.00000  -0.00036  -0.00080  -0.00116   2.07818
   A35        2.10314  -0.00058  -0.00044  -0.00007  -0.00050   2.10263
   A36        2.09940   0.00059   0.00074   0.00102   0.00177   2.10116
   A37        2.09349   0.00001   0.00036   0.00043   0.00081   2.09430
   A38        2.09130  -0.00009  -0.00001  -0.00007  -0.00009   2.09121
   A39        2.09760   0.00009  -0.00036  -0.00009  -0.00047   2.09713
   A40        2.12452   0.00009  -0.00006  -0.00069  -0.00075   2.12376
   A41        2.10509  -0.00020   0.00095   0.00080   0.00171   2.10680
   A42        2.05095   0.00013  -0.00089   0.00078  -0.00014   2.05080
   A43        2.07642   0.00054   0.00133   0.00482   0.00653   2.08295
   A44        2.07517   0.00361   0.00145   0.00354   0.00462   2.07979
   A45        2.09594  -0.00431  -0.00069  -0.00391  -0.00503   2.09092
   A46        2.06920   0.00074   0.00040   0.00219   0.00259   2.07178
   A47        2.15712  -0.00149  -0.00038  -0.00372  -0.00406   2.15307
   A48        2.05543   0.00078   0.00005   0.00158   0.00159   2.05702
   A49        2.13797   0.00039  -0.00025  -0.00131  -0.00185   2.13612
   A50        2.10359  -0.00061   0.00058   0.00095   0.00161   2.10520
   A51        2.04146   0.00022  -0.00031   0.00045   0.00033   2.04178
   A52        2.06838   0.00105   0.00061   0.00317   0.00364   2.07202
   A53        2.11335  -0.00052  -0.00020  -0.00208  -0.00233   2.11102
   A54        2.11650  -0.00018   0.00058   0.00147   0.00205   2.11854
   A55        2.05171   0.00072  -0.00037   0.00114   0.00077   2.05248
   A56        2.11298   0.00023  -0.00001   0.00109   0.00107   2.11406
   A57        2.08279   0.00006  -0.00022  -0.00033  -0.00055   2.08224
   A58        2.08724  -0.00029   0.00023  -0.00071  -0.00047   2.08677
   A59        2.06788   0.00051  -0.00017  -0.00006  -0.00026   2.06762
   A60        2.10449  -0.00039   0.00063   0.00033   0.00097   2.10546
   A61        2.11073  -0.00011  -0.00045  -0.00026  -0.00069   2.11004
   A62        2.11238  -0.00038  -0.00016  -0.00107  -0.00130   2.11109
   A63        2.05199   0.00012   0.00036   0.00023   0.00062   2.05261
   A64        2.11881   0.00026  -0.00020   0.00084   0.00067   2.11948
   A65        2.19182   0.00040   0.00030   0.00220   0.00249   2.19431
   A66        2.20022  -0.00056  -0.00020  -0.00137  -0.00157   2.19865
   A67        1.89109   0.00016  -0.00010  -0.00084  -0.00093   1.89015
   A68        2.18799   0.00044   0.00029   0.00011   0.00039   2.18838
   A69        2.20323  -0.00053  -0.00050  -0.00002  -0.00052   2.20270
   A70        1.89134   0.00010   0.00014  -0.00006   0.00008   1.89142
   A71        2.19731  -0.00007  -0.00020  -0.00067  -0.00090   2.19641
   A72        2.19300  -0.00000   0.00011   0.00108   0.00116   2.19416
   A73        1.89208   0.00008  -0.00002  -0.00060  -0.00064   1.89144
   A74        1.90122  -0.00030   0.00010   0.00024   0.00034   1.90157
   A75        2.25797   0.00017  -0.00019  -0.00060  -0.00079   2.25718
   A76        2.12345   0.00013   0.00013   0.00035   0.00047   2.12393
   A77        1.86547   0.00023  -0.00017  -0.00011  -0.00028   1.86518
   A78        2.08665  -0.00019  -0.00015  -0.00039  -0.00054   2.08611
   A79        2.33105  -0.00004   0.00033   0.00049   0.00081   2.33186
   A80        1.86718  -0.00002  -0.00010  -0.00005  -0.00015   1.86703
   A81        2.32844   0.00020   0.00022   0.00017   0.00038   2.32883
   A82        2.08729  -0.00018  -0.00013  -0.00013  -0.00026   2.08702
   A83        1.89951  -0.00001   0.00002  -0.00001   0.00001   1.89952
   A84        2.26279  -0.00027  -0.00011   0.00012   0.00001   2.26280
   A85        2.11983   0.00028   0.00012  -0.00001   0.00010   2.11993
   A86        1.90169  -0.00037  -0.00000  -0.00003  -0.00003   1.90166
   A87        2.25884   0.00011   0.00020   0.00068   0.00088   2.25972
   A88        2.12230   0.00026  -0.00021  -0.00078  -0.00099   2.12131
   A89        1.86541   0.00026   0.00006   0.00044   0.00050   1.86591
   A90        2.08678  -0.00025   0.00011   0.00038   0.00049   2.08727
   A91        2.33099  -0.00000  -0.00016  -0.00082  -0.00099   2.33001
   A92        1.86541   0.00016   0.00004   0.00049   0.00053   1.86594
   A93        2.33141  -0.00003  -0.00017  -0.00130  -0.00147   2.32993
   A94        2.08637  -0.00013   0.00013   0.00081   0.00094   2.08731
   A95        1.90116  -0.00020  -0.00000  -0.00006  -0.00006   1.90110
   A96        2.26159  -0.00000   0.00016   0.00085   0.00101   2.26260
   A97        2.12029   0.00020  -0.00015  -0.00091  -0.00106   2.11923
   A98        1.90051  -0.00024   0.00005   0.00001   0.00007   1.90058
   A99        2.26181  -0.00026   0.00004  -0.00048  -0.00044   2.26137
   A100       2.12053   0.00050  -0.00009   0.00040   0.00031   2.12084
   A101       1.86585   0.00011  -0.00003   0.00022   0.00019   1.86603
   A102       2.08703  -0.00022  -0.00001  -0.00015  -0.00016   2.08687
   A103       2.33030   0.00011   0.00005  -0.00008  -0.00003   2.33027
   A104       1.86549   0.00014  -0.00003   0.00017   0.00014   1.86562
   A105       2.33125   0.00009  -0.00002  -0.00028  -0.00030   2.33095
   A106       2.08644  -0.00023   0.00006   0.00011   0.00016   2.08660
   A107       1.90083  -0.00010   0.00003   0.00020   0.00024   1.90107
   A108       2.26135  -0.00032  -0.00000  -0.00034  -0.00035   2.26100
   A109       2.12061   0.00041  -0.00003   0.00008   0.00004   2.12066
   A110       2.08020  -0.00002   0.00006   0.00011   0.00017   2.08037
   A111       2.09978  -0.00001  -0.00004  -0.00006  -0.00010   2.09968
   A112       2.10318   0.00004  -0.00002  -0.00003  -0.00005   2.10313
   A113       2.10346   0.00006   0.00000  -0.00001  -0.00000   2.10345
   A114       2.09204  -0.00001   0.00001   0.00002   0.00003   2.09207
   A115       2.08765  -0.00005  -0.00001  -0.00001  -0.00002   2.08763
   A116       2.11987  -0.00010   0.00004  -0.00000   0.00004   2.11990
   A117       2.08523   0.00011  -0.00002   0.00028   0.00025   2.08548
   A118       2.07802   0.00000  -0.00003  -0.00025  -0.00028   2.07774
   A119       2.05545  -0.00003  -0.00008   0.00006  -0.00002   2.05543
   A120       2.12014  -0.00009  -0.00011  -0.00020  -0.00030   2.11983
   A121       2.10758   0.00012   0.00019   0.00014   0.00033   2.10791
   A122       2.05255  -0.00002  -0.00003  -0.00008  -0.00010   2.05245
   A123       2.11995   0.00003  -0.00022  -0.00048  -0.00070   2.11925
   A124       2.11064  -0.00001   0.00025   0.00056   0.00081   2.11145
   A125       2.12036  -0.00002  -0.00003  -0.00007  -0.00010   2.12026
   A126       2.07688   0.00005   0.00011   0.00055   0.00066   2.07754
   A127       2.08594  -0.00003  -0.00008  -0.00049  -0.00057   2.08538
   A128       2.10459   0.00006   0.00004   0.00008   0.00012   2.10471
   A129       2.08724  -0.00004   0.00001   0.00006   0.00006   2.08731
   A130       2.09132  -0.00002  -0.00005  -0.00014  -0.00018   2.09114
   A131       2.07861   0.00004   0.00005   0.00012   0.00017   2.07877
   A132       2.10136  -0.00008   0.00000  -0.00017  -0.00017   2.10119
   A133       2.10321   0.00004  -0.00005   0.00005  -0.00000   2.10321
   A134       2.08024   0.00006  -0.00003  -0.00011  -0.00015   2.08009
   A135       2.10048  -0.00010  -0.00004  -0.00044  -0.00047   2.10000
   A136       2.10247   0.00004   0.00007   0.00054   0.00061   2.10308
   A137       2.10419  -0.00001   0.00000  -0.00031  -0.00031   2.10388
   A138       2.09135   0.00005   0.00004   0.00048   0.00051   2.09186
   A139       2.08764  -0.00004  -0.00004  -0.00017  -0.00021   2.08744
   A140       2.11879  -0.00003  -0.00005   0.00011   0.00006   2.11886
   A141       2.08690   0.00002   0.00023   0.00053   0.00075   2.08765
   A142       2.07744   0.00001  -0.00019  -0.00061  -0.00079   2.07665
   A143       2.05642  -0.00009   0.00011   0.00035   0.00045   2.05687
   A144       2.11780   0.00011   0.00026   0.00130   0.00156   2.11935
   A145       2.10895  -0.00002  -0.00037  -0.00166  -0.00203   2.10692
   A146       2.05332  -0.00004   0.00011   0.00049   0.00060   2.05392
   A147       2.11837   0.00004  -0.00006   0.00003  -0.00003   2.11834
   A148       2.11135  -0.00000  -0.00006  -0.00051  -0.00057   2.11078
   A149       2.12065  -0.00013   0.00001  -0.00006  -0.00005   2.12060
   A150       2.07817  -0.00003  -0.00004  -0.00052  -0.00056   2.07761
   A151       2.08435   0.00016   0.00003   0.00057   0.00060   2.08495
   A152       2.10397   0.00012  -0.00008  -0.00023  -0.00032   2.10366
   A153       2.08703  -0.00005   0.00004   0.00030   0.00034   2.08737
   A154       2.09217  -0.00007   0.00004  -0.00006  -0.00002   2.09215
   A155       2.07904   0.00003   0.00004   0.00012   0.00016   2.07920
   A156       2.10036  -0.00004  -0.00002   0.00008   0.00006   2.10042
   A157       2.10373   0.00001  -0.00002  -0.00021  -0.00023   2.10351
   A158       2.08026  -0.00005  -0.00005  -0.00017  -0.00022   2.08003
   A159       2.10032  -0.00003  -0.00002  -0.00018  -0.00020   2.10011
   A160       2.10256   0.00008   0.00006   0.00036   0.00042   2.10298
   A161       2.10401   0.00006   0.00000   0.00001   0.00001   2.10401
   A162       2.09219  -0.00006  -0.00002  -0.00026  -0.00029   2.09190
   A163       2.08697  -0.00000   0.00002   0.00026   0.00028   2.08726
   A164       2.11933  -0.00004   0.00004   0.00008   0.00012   2.11945
   A165       2.08494   0.00007  -0.00002   0.00009   0.00007   2.08501
   A166       2.07890  -0.00003  -0.00002  -0.00017  -0.00019   2.07871
   A167       2.05549  -0.00015  -0.00002  -0.00015  -0.00017   2.05532
   A168       2.11814   0.00001   0.00001   0.00019   0.00020   2.11835
   A169       2.10951   0.00014   0.00001  -0.00005  -0.00003   2.10948
   A170       2.05498  -0.00024   0.00005  -0.00040  -0.00034   2.05464
   A171       2.11961   0.00005  -0.00005   0.00023   0.00018   2.11979
   A172       2.10858   0.00019  -0.00000   0.00016   0.00015   2.10874
   A173       2.12017  -0.00005   0.00004   0.00018   0.00022   2.12039
   A174       2.07772  -0.00002  -0.00001  -0.00017  -0.00018   2.07753
   A175       2.08530   0.00008  -0.00003  -0.00001  -0.00004   2.08526
   A176       2.10378   0.00009  -0.00009  -0.00010  -0.00019   2.10358
   A177       2.08741  -0.00004   0.00005  -0.00000   0.00005   2.08746
   A178       2.09198  -0.00005   0.00005   0.00010   0.00015   2.09213
   A179       2.07968  -0.00008   0.00009   0.00002   0.00011   2.07979
   A180       2.10059  -0.00002  -0.00006  -0.00020  -0.00026   2.10033
   A181       2.10290   0.00010  -0.00003   0.00018   0.00015   2.10304
   A182       1.95060   0.00009  -0.00124   0.00115   0.00006   1.95066
   A183       1.86073  -0.00183   0.00473   0.01116   0.01576   1.87649
   A184       1.76150   0.00003  -0.00408  -0.02511  -0.02907   1.73243
   A185       2.03075   0.00236  -0.00359  -0.00522  -0.00880   2.02195
   A186       2.02120   0.00188   0.00644   0.02555   0.03199   2.05319
   A187       1.81228  -0.00321  -0.00238  -0.01094  -0.01317   1.79911
   A188       2.07331   0.00511  -0.00233  -0.00171  -0.00404   2.06928
   A189       2.27661  -0.00761  -0.00430  -0.03645  -0.04075   2.23586
   A190       1.90868  -0.00015   0.00104  -0.00324  -0.00220   1.90648
   A191       1.90399  -0.00296   0.00235  -0.00091   0.00144   1.90543
   A192       1.83451   0.00157  -0.00028   0.00392   0.00365   1.83816
   A193       1.93528   0.00004  -0.00083   0.00082  -0.00002   1.93526
   A194       1.95640  -0.00065  -0.00117  -0.00029  -0.00146   1.95494
   A195       1.92178   0.00211  -0.00092  -0.00025  -0.00118   1.92061
   A196       1.89783   0.00001   0.00001   0.00147   0.00149   1.89931
   A197       1.94961   0.00029   0.00032  -0.00034  -0.00002   1.94959
   A198       1.93274  -0.00036   0.00081  -0.00042   0.00039   1.93313
   A199       1.89289  -0.00016   0.00006  -0.00055  -0.00049   1.89239
   A200       1.87838   0.00034  -0.00047   0.00211   0.00164   1.88002
   A201       1.91054  -0.00012  -0.00077  -0.00215  -0.00292   1.90762
   A202       1.89239   0.00151   0.00156   0.00890   0.01043   1.90282
   A203       1.87402  -0.00133  -0.00270  -0.01376  -0.01645   1.85757
   A204       1.90079  -0.00017   0.00015   0.00206   0.00211   1.90291
   A205       1.93950   0.00045  -0.00004   0.00160   0.00159   1.94108
   A206       1.95333  -0.00033   0.00119   0.00398   0.00511   1.95844
   A207       1.90175  -0.00017  -0.00029  -0.00346  -0.00377   1.89799
   A208       1.91239   0.00041   0.00021   0.00255   0.00276   1.91515
   A209       1.94570  -0.00048   0.00096  -0.00094   0.00002   1.94572
   A210       1.92272   0.00035  -0.00078   0.00110   0.00031   1.92303
   A211       1.89762  -0.00008  -0.00001  -0.00150  -0.00152   1.89610
   A212       1.88988  -0.00026  -0.00035  -0.00140  -0.00175   1.88813
   A213       1.89447   0.00005  -0.00005   0.00011   0.00006   1.89453
   A214       2.37049  -0.01434   0.00979  -0.00025   0.00954   2.38003
    D1        0.00823  -0.00009  -0.00050  -0.00440  -0.00488   0.00335
    D2        3.10409   0.00040  -0.00058   0.00422   0.00371   3.10779
    D3       -3.13347  -0.00026  -0.00098  -0.00897  -0.00994   3.13977
    D4       -0.03762   0.00023  -0.00106  -0.00035  -0.00136  -0.03897
    D5       -0.05772   0.00027  -0.00145   0.00575   0.00430  -0.05342
    D6        3.10934  -0.00005  -0.00109  -0.00248  -0.00359   3.10575
    D7        3.08398   0.00044  -0.00098   0.01032   0.00936   3.09334
    D8       -0.03215   0.00012  -0.00062   0.00209   0.00147  -0.03067
    D9        2.19802   0.00041   0.00445   0.02642   0.03088   2.22890
   D10       -0.95674   0.00038   0.00478   0.02477   0.02956  -0.92718
   D11       -0.94368   0.00024   0.00397   0.02184   0.02580  -0.91788
   D12        2.18474   0.00021   0.00431   0.02019   0.02448   2.20922
   D13        0.07010  -0.00027   0.00251  -0.00167   0.00084   0.07094
   D14       -2.99146   0.00008   0.00457   0.00940   0.01408  -2.97738
   D15       -3.02504  -0.00076   0.00253  -0.01057  -0.00804  -3.03308
   D16        0.19659  -0.00041   0.00459   0.00049   0.00519   0.20178
   D17       -0.09965   0.00042  -0.00256   0.00649   0.00389  -0.09575
   D18        2.95913   0.00079  -0.00634   0.00642   0.00014   2.95926
   D19        2.96632   0.00004  -0.00444  -0.00404  -0.00858   2.95774
   D20       -0.25808   0.00041  -0.00822  -0.00411  -0.01234  -0.27043
   D21       -2.83077  -0.00153   0.01129  -0.01141  -0.00008  -2.83085
   D22        0.42868  -0.00133   0.01537  -0.00561   0.00979   0.43847
   D23        0.38969  -0.00116   0.01323  -0.00059   0.01271   0.40241
   D24       -2.63404  -0.00096   0.01731   0.00520   0.02258  -2.61146
   D25        0.05125  -0.00023   0.00058  -0.00525  -0.00464   0.04661
   D26       -3.11028  -0.00010   0.00077  -0.00243  -0.00164  -3.11192
   D27       -3.00713  -0.00059   0.00445  -0.00509  -0.00063  -3.00776
   D28        0.11453  -0.00046   0.00465  -0.00226   0.00237   0.11690
   D29       -0.28314  -0.00006  -0.00695  -0.00985  -0.01700  -0.30014
   D30        2.92361  -0.00060  -0.00003  -0.01311  -0.01338   2.91023
   D31        2.77537   0.00029  -0.01080  -0.01006  -0.02100   2.75438
   D32       -0.30106  -0.00025  -0.00387  -0.01331  -0.01738  -0.31844
   D33        0.02785  -0.00014   0.00140  -0.00095   0.00042   0.02827
   D34       -3.13946   0.00018   0.00104   0.00737   0.00839  -3.13107
   D35       -3.09341  -0.00026   0.00120  -0.00383  -0.00264  -3.09605
   D36        0.02247   0.00005   0.00084   0.00449   0.00533   0.02780
   D37        0.03895   0.00119  -0.00200   0.02023   0.01839   0.05735
   D38       -2.93688   0.00094   0.00261   0.01509   0.01774  -2.91914
   D39        3.06349   0.00096  -0.00621   0.01423   0.00813   3.07162
   D40        0.08766   0.00072  -0.00160   0.00909   0.00748   0.09514
   D41        2.99890  -0.00064  -0.00232  -0.01139  -0.01374   2.98516
   D42       -0.09745  -0.00084   0.00019  -0.01527  -0.01511  -0.11255
   D43       -0.02536  -0.00046   0.00184  -0.00565  -0.00380  -0.02916
   D44       -3.12171  -0.00067   0.00435  -0.00952  -0.00517  -3.12688
   D45       -0.56361  -0.00044  -0.01200  -0.03143  -0.04315  -0.60675
   D46       -3.13711   0.00134   0.01122   0.02074   0.03150  -3.10561
   D47        2.40484  -0.00033  -0.01700  -0.02659  -0.04324   2.36161
   D48       -0.16866   0.00146   0.00622   0.02557   0.03141  -0.13724
   D49       -0.08679  -0.00044  -0.00008  -0.00540  -0.00546  -0.09224
   D50        2.97497  -0.00004  -0.00005   0.00809   0.00808   2.98304
   D51       -3.05654  -0.00046   0.00494  -0.00973  -0.00484  -3.06138
   D52        0.00522  -0.00006   0.00498   0.00376   0.00869   0.01390
   D53        0.68380   0.00007   0.01640   0.02606   0.04221   0.72600
   D54       -2.52603   0.00066   0.00913   0.02936   0.03823  -2.48781
   D55       -3.00437  -0.00027  -0.00610  -0.02380  -0.02976  -3.03412
   D56        0.06899   0.00032  -0.01337  -0.02049  -0.03373   0.03526
   D57        2.54329  -0.00202  -0.01662  -0.05354  -0.06995   2.47334
   D58       -0.88157  -0.00337  -0.00920  -0.03690  -0.04580  -0.92736
   D59       -0.00680  -0.00096   0.00828   0.00064   0.00877   0.00197
   D60        2.85153  -0.00230   0.01570   0.01728   0.03292   2.88445
   D61        3.03376   0.00077   0.00136   0.02254   0.02398   3.05774
   D62       -0.03802   0.00016   0.00885   0.01936   0.02836  -0.00966
   D63       -0.04125  -0.00009  -0.00033  -0.00166  -0.00199  -0.04324
   D64       -3.12793  -0.00022   0.00084  -0.00498  -0.00414  -3.13208
   D65        3.05550   0.00012  -0.00285   0.00209  -0.00077   3.05474
   D66       -0.03118  -0.00001  -0.00168  -0.00123  -0.00292  -0.03410
   D67        0.04354   0.00038  -0.00143   0.00543   0.00401   0.04755
   D68       -3.05525   0.00014  -0.00126  -0.00185  -0.00311  -3.05836
   D69        3.13034   0.00047  -0.00263   0.00871   0.00609   3.13642
   D70        0.03155   0.00023  -0.00246   0.00143  -0.00103   0.03051
   D71       -2.26861  -0.00013   0.00330   0.00247   0.00577  -2.26284
   D72        0.91544  -0.00043   0.00609   0.00172   0.00781   0.92325
   D73        0.92853  -0.00023   0.00451  -0.00083   0.00368   0.93221
   D74       -2.17061  -0.00054   0.00731  -0.00158   0.00573  -2.16488
   D75        0.02135  -0.00010   0.00166  -0.00188  -0.00022   0.02113
   D76       -3.04277  -0.00047   0.00155  -0.01496  -0.01342  -3.05620
   D77        3.11999   0.00014   0.00150   0.00544   0.00693   3.12691
   D78        0.05586  -0.00023   0.00138  -0.00765  -0.00627   0.04959
   D79       -0.07710   0.00104  -0.00021   0.01749   0.01726  -0.05984
   D80        3.12333   0.00056  -0.00164   0.01639   0.01472   3.13806
   D81       -2.93199   0.00108  -0.00813  -0.00061  -0.00866  -2.94065
   D82        0.26845   0.00060  -0.00956  -0.00171  -0.01120   0.25725
   D83        0.03555  -0.00094   0.00542   0.00420   0.00959   0.04514
   D84       -2.20128  -0.00268   0.00734   0.00180   0.00906  -2.19222
   D85        2.19406   0.00135   0.00996   0.01980   0.02986   2.22392
   D86        2.89064  -0.00148   0.01331   0.02249   0.03578   2.92642
   D87        0.65381  -0.00321   0.01523   0.02010   0.03525   0.68906
   D88       -1.23404   0.00081   0.01785   0.03810   0.05605  -1.17798
   D89        0.11304  -0.00044  -0.00446  -0.01935  -0.02384   0.08919
   D90       -3.04903  -0.00034  -0.00382  -0.01379  -0.01763  -3.06666
   D91       -3.08395  -0.00006  -0.00314  -0.01849  -0.02164  -3.10559
   D92        0.03717   0.00003  -0.00250  -0.01294  -0.01544   0.02174
   D93        3.06887   0.00042   0.00325   0.01188   0.01512   3.08399
   D94       -0.13546   0.00080   0.00334   0.02212   0.02547  -0.10999
   D95       -0.01432  -0.00006   0.00182   0.01077   0.01257  -0.00174
   D96        3.06455   0.00032   0.00191   0.02101   0.02292   3.08746
   D97       -0.05448  -0.00012  -0.00001   0.00057   0.00058  -0.05389
   D98        3.10690  -0.00020  -0.00065  -0.00480  -0.00543   3.10147
   D99       -0.02850  -0.00002   0.00165   0.00554   0.00717  -0.02133
   D100       3.11025   0.00008   0.00072   0.00434   0.00506   3.11530
   D101       3.09372   0.00008   0.00226   0.01077   0.01302   3.10674
   D102      -0.05072   0.00017   0.00133   0.00958   0.01091  -0.03981
   D103      -0.01800   0.00008  -0.00025  -0.00103  -0.00128  -0.01927
   D104       3.10369   0.00025  -0.00030   0.00194   0.00165   3.10534
   D105      -3.09911  -0.00025  -0.00037  -0.01092  -0.01129  -3.11040
   D106       0.02258  -0.00009  -0.00041  -0.00795  -0.00836   0.01421
   D107       0.02725  -0.00007  -0.00068  -0.00671  -0.00738   0.01987
   D108      -3.12825  -0.00013  -0.00003  -0.00529  -0.00531  -3.13356
   D109      -3.09439  -0.00024  -0.00063  -0.00969  -0.01031  -3.10470
   D110       0.03330  -0.00030   0.00003  -0.00827  -0.00824   0.02506
   D111      -0.00404   0.00006  -0.00004   0.00443   0.00439   0.00035
   D112       3.14051  -0.00004   0.00092   0.00567   0.00659  -3.13609
   D113      -3.13168   0.00013  -0.00071   0.00300   0.00230  -3.12937
   D114       0.01287   0.00002   0.00025   0.00424   0.00450   0.01737
   D115      -2.16042  -0.00017   0.00334  -0.00458  -0.00123  -2.16165
   D116       0.93340  -0.00000  -0.00133  -0.01021  -0.01154   0.92186
   D117       0.96692  -0.00023   0.00402  -0.00313   0.00089   0.96781
   D118      -2.22244  -0.00006  -0.00066  -0.00876  -0.00941  -2.23186
   D119       3.12572   0.00007   0.00015   0.00139   0.00153   3.12725
   D120      -0.04457  -0.00005   0.00006  -0.00395  -0.00389  -0.04847
   D121      -0.00466   0.00010  -0.00013   0.00281   0.00267  -0.00199
   D122       3.10824  -0.00002  -0.00022  -0.00253  -0.00276   3.10548
   D123      -3.12424  -0.00006  -0.00009  -0.00098  -0.00108  -3.12532
   D124      -0.00058  -0.00024   0.00031  -0.00804  -0.00773  -0.00831
   D125       0.00607  -0.00009   0.00019  -0.00238  -0.00218   0.00389
   D126       3.12973  -0.00027   0.00060  -0.00944  -0.00884   3.12089
   D127      -3.11641  -0.00012   0.00174  -0.00010   0.00164  -3.11477
   D128       0.06056  -0.00006   0.00051   0.00024   0.00076   0.06132
   D129      -0.01090   0.00012  -0.00065   0.00054  -0.00011  -0.01101
   D130      -3.11711   0.00019  -0.00187   0.00088  -0.00099  -3.11810
   D131       3.11352   0.00017  -0.00162   0.00097  -0.00064   3.11288
   D132       0.02168   0.00002  -0.00217  -0.00136  -0.00352   0.01816
   D133       0.00840  -0.00011   0.00078   0.00032   0.00111   0.00951
   D134      -3.08344  -0.00025   0.00023  -0.00201  -0.00177  -3.08521
   D135       3.10467   0.00009  -0.00318  -0.00357  -0.00674   3.09793
   D136      -0.00901   0.00008  -0.00348  -0.00068  -0.00416  -0.01316
   D137       0.00399  -0.00005   0.00082   0.00121   0.00203   0.00601
   D138      -3.10969  -0.00006   0.00052   0.00410   0.00461  -3.10508
   D139      -3.10711  -0.00008   0.00316   0.00384   0.00701  -3.10011
   D140       0.06464  -0.00005   0.00313   0.00633   0.00947   0.07411
   D141      -0.00630   0.00006  -0.00083  -0.00098  -0.00181  -0.00811
   D142      -3.11774   0.00009  -0.00086   0.00152   0.00065  -3.11709
   D143       0.00907  -0.00009   0.00026  -0.00116  -0.00090   0.00817
   D144      -3.12745   0.00002  -0.00016   0.00133   0.00118  -3.12628
   D145       3.11853  -0.00015   0.00137  -0.00150  -0.00013   3.11840
   D146      -0.01799  -0.00004   0.00095   0.00100   0.00195  -0.01605
   D147       3.12081  -0.00004   0.00059  -0.00057   0.00002   3.12083
   D148      -0.01061  -0.00002   0.00002  -0.00101  -0.00098  -0.01159
   D149       0.01854   0.00004  -0.00077  -0.00019  -0.00096   0.01758
   D150      -3.11288   0.00005  -0.00134  -0.00062  -0.00196  -3.11484
   D151      -0.00386   0.00003   0.00022   0.00134   0.00155  -0.00231
   D152       3.11135   0.00016  -0.00053   0.00077   0.00024   3.11159
   D153       3.13165  -0.00011   0.00072  -0.00166  -0.00095   3.13070
   D154      -0.03632   0.00003  -0.00003  -0.00224  -0.00226  -0.03859
   D155       0.00439   0.00001  -0.00044  -0.00114  -0.00158   0.00281
   D156      -3.14077  -0.00005  -0.00015  -0.00158  -0.00173   3.14068
   D157      -3.13051   0.00015  -0.00099   0.00216   0.00117  -3.12934
   D158       0.00751   0.00009  -0.00070   0.00172   0.00102   0.00853
   D159      -0.00273   0.00005  -0.00061  -0.00103  -0.00164  -0.00438
   D160       3.09395   0.00016  -0.00012   0.00107   0.00095   3.09490
   D161      -3.12229  -0.00007   0.00000  -0.00056  -0.00056  -3.12285
   D162      -0.02560   0.00005   0.00049   0.00155   0.00204  -0.02357
   D163      -3.10190  -0.00023   0.00060  -0.00191  -0.00130  -3.10321
   D164       0.03327  -0.00018   0.00103   0.00066   0.00169   0.03496
   D165       0.01068  -0.00008  -0.00021  -0.00254  -0.00275   0.00793
   D166      -3.13734  -0.00003   0.00021   0.00003   0.00024  -3.13709
   D167       3.10847   0.00018   0.00024   0.00332   0.00356   3.11202
   D168      -0.02717   0.00024  -0.00035   0.00256   0.00221  -0.02496
   D169       0.02208   0.00002  -0.00037   0.00074   0.00037   0.02245
   D170      -3.11355   0.00009  -0.00096  -0.00002  -0.00098  -3.11454
   D171       0.00148  -0.00007   0.00003  -0.00213  -0.00210  -0.00062
   D172      -3.14123  -0.00019   0.00100  -0.00116  -0.00016  -3.14139
   D173      -3.11409   0.00004   0.00010   0.00269   0.00278  -3.11131
   D174       0.02639  -0.00008   0.00107   0.00365   0.00472   0.03111
   D175      -3.13260   0.00018  -0.00066   0.00255   0.00190  -3.13070
   D176      -0.00891   0.00028  -0.00106   0.00290   0.00184  -0.00707
   D177      -0.02287   0.00004  -0.00075  -0.00336  -0.00411  -0.02698
   D178       3.10082   0.00014  -0.00116  -0.00301  -0.00417   3.09666
   D179       0.00219   0.00002   0.00009   0.00067   0.00076   0.00295
   D180      -3.13986   0.00011  -0.00074   0.00238   0.00163  -3.13823
   D181      -3.13806   0.00016  -0.00108  -0.00049  -0.00157  -3.13963
   D182       0.00308   0.00025  -0.00191   0.00122  -0.00070   0.00238
   D183      -0.01073   0.00006  -0.00065  -0.00154  -0.00219  -0.01291
   D184      -3.14140  -0.00002  -0.00016  -0.00111  -0.00128   3.14051
   D185       3.12939  -0.00010   0.00063  -0.00026   0.00037   3.12976
   D186      -0.00129  -0.00017   0.00112   0.00016   0.00128  -0.00000
   D187      -0.00508   0.00004  -0.00017   0.00104   0.00086  -0.00422
   D188      -3.13047   0.00021  -0.00055   0.00740   0.00685  -3.12362
   D189       3.13689  -0.00003   0.00052  -0.00039   0.00013   3.13702
   D190       0.01151   0.00013   0.00015   0.00598   0.00612   0.01762
   D191       3.13968  -0.00018   0.00074  -0.00557  -0.00484   3.13485
   D192       0.00043  -0.00013   0.00087  -0.00297  -0.00210  -0.00167
   D193      -0.00241  -0.00008  -0.00018  -0.00369  -0.00387  -0.00628
   D194       3.14153  -0.00003  -0.00004  -0.00109  -0.00114   3.14038
   D195      -3.13412   0.00012  -0.00048   0.00403   0.00355  -3.13057
   D196       0.00184   0.00006  -0.00066   0.00058  -0.00008   0.00177
   D197      -0.01242  -0.00009  -0.00003  -0.00380  -0.00382  -0.01624
   D198       3.12354  -0.00014  -0.00020  -0.00724  -0.00744   3.11610
   D199      -0.00019   0.00002  -0.00049  -0.00096  -0.00145  -0.00165
   D200      -3.13861   0.00009  -0.00098   0.00009  -0.00089  -3.13950
   D201       3.11617   0.00002  -0.00021  -0.00359  -0.00380   3.11237
   D202      -0.02225   0.00009  -0.00071  -0.00254  -0.00324  -0.02549
   D203       3.12813  -0.00005   0.00065  -0.00127  -0.00062   3.12751
   D204      -0.00902  -0.00003   0.00071   0.00010   0.00081  -0.00821
   D205       0.01751  -0.00004   0.00031   0.00195   0.00226   0.01977
   D206      -3.11964  -0.00003   0.00037   0.00332   0.00368  -3.11596
   D207      -0.00360   0.00001  -0.00002   0.00036   0.00034  -0.00326
   D208       3.14001  -0.00016   0.00140   0.00142   0.00282  -3.14035
   D209       3.13419  -0.00007   0.00057  -0.00091  -0.00034   3.13385
   D210      -0.00538  -0.00024   0.00199   0.00015   0.00215  -0.00324
   D211       0.01128  -0.00008   0.00064   0.00125   0.00189   0.01317
   D212      -3.13706  -0.00004   0.00039   0.00064   0.00103  -3.13603
   D213      -3.12612   0.00001  -0.00001   0.00264   0.00263  -3.12349
   D214       0.00872   0.00005  -0.00026   0.00203   0.00177   0.01049
   D215       0.00610  -0.00005   0.00052   0.00037   0.00090   0.00699
   D216       3.12042  -0.00008   0.00055  -0.00189  -0.00134   3.11909
   D217      -3.13718   0.00010  -0.00066  -0.00051  -0.00117  -3.13835
   D218      -0.02285   0.00006  -0.00063  -0.00278  -0.00341  -0.02626
   D219      -3.13487   0.00014  -0.00107   0.00039  -0.00068  -3.13555
   D220      -0.00457   0.00024  -0.00152   0.00032  -0.00120  -0.00577
   D221       0.00895  -0.00004   0.00049   0.00156   0.00205   0.01100
   D222       3.13924   0.00005   0.00004   0.00149   0.00153   3.14077
   D223       3.12876  -0.00007   0.00041  -0.00058  -0.00017   3.12859
   D224      -0.00337  -0.00008   0.00039  -0.00016   0.00022  -0.00314
   D225       0.02063  -0.00004   0.00037   0.00219   0.00256   0.02319
   D226      -3.11150  -0.00005   0.00035   0.00260   0.00295  -3.10854
   D227       0.00664   0.00005  -0.00017   0.00128   0.00111   0.00775
   D228       3.13972   0.00009  -0.00021   0.00148   0.00127   3.14100
   D229      -3.12852  -0.00000  -0.00060  -0.00129  -0.00189  -3.13041
   D230       0.00457   0.00004  -0.00063  -0.00109  -0.00173   0.00284
   D231      -0.01001   0.00002   0.00029   0.00106   0.00135  -0.00866
   D232       3.11878   0.00015  -0.00024   0.00285   0.00261   3.12139
   D233       3.14007  -0.00002   0.00032   0.00086   0.00119   3.14126
   D234      -0.01433   0.00010  -0.00021   0.00266   0.00245  -0.01188
   D235      -0.00437  -0.00005  -0.00001  -0.00204  -0.00205  -0.00642
   D236       3.13131  -0.00012   0.00057  -0.00129  -0.00072   3.13060
   D237      -3.13321  -0.00018   0.00052  -0.00383  -0.00331  -3.13653
   D238       0.00247  -0.00025   0.00110  -0.00308  -0.00198   0.00049
   D239      -0.00608  -0.00001   0.00011  -0.00047  -0.00035  -0.00644
   D240       3.13834   0.00005  -0.00012   0.00059   0.00047   3.13881
   D241       3.12539  -0.00002   0.00068  -0.00004   0.00063   3.12602
   D242      -0.01337   0.00003   0.00044   0.00101   0.00146  -0.01191
   D243      -0.00703  -0.00002   0.00037   0.00031   0.00069  -0.00634
   D244      -3.13967  -0.00003   0.00025   0.00037   0.00062  -3.13905
   D245       3.13172  -0.00008   0.00060  -0.00074  -0.00014   3.13158
   D246      -0.00093  -0.00008   0.00048  -0.00068  -0.00020  -0.00113
   D247       0.00777   0.00002  -0.00020   0.00051   0.00031   0.00807
   D248      -3.13025   0.00008  -0.00049   0.00095   0.00046  -3.12979
   D249       3.14039   0.00003  -0.00008   0.00045   0.00037   3.14076
   D250       0.00238   0.00009  -0.00037   0.00089   0.00052   0.00290
   D251      -0.00524  -0.00001   0.00010  -0.00053  -0.00043  -0.00567
   D252       3.13869   0.00003   0.00015   0.00165   0.00180   3.14049
   D253       3.13400  -0.00006  -0.00003  -0.00313  -0.00317   3.13083
   D254      -0.00525  -0.00002   0.00001  -0.00095  -0.00094  -0.00619
   D255       0.00420   0.00006   0.00002   0.00272   0.00274   0.00694
   D256       3.13448   0.00025  -0.00059   0.00632   0.00573   3.14021
   D257      -3.13972   0.00001  -0.00003   0.00054   0.00051  -3.13921
   D258      -0.00945   0.00021  -0.00064   0.00414   0.00351  -0.00594
   D259       0.00460  -0.00001  -0.00005  -0.00053  -0.00058   0.00402
   D260      -3.13138   0.00004   0.00012   0.00289   0.00300  -3.12838
   D261      -3.12573  -0.00020   0.00055  -0.00412  -0.00357  -3.12930
   D262       0.02147  -0.00015   0.00072  -0.00070   0.00002   0.02148
   D263       0.00447   0.00001   0.00004   0.00106   0.00110   0.00558
   D264       3.13897   0.00004  -0.00002   0.00116   0.00114   3.14011
   D265      -3.11929  -0.00009   0.00044   0.00071   0.00116  -3.11814
   D266       0.01520  -0.00005   0.00038   0.00081   0.00119   0.01639
   D267       0.01057  -0.00003   0.00036   0.00097   0.00133   0.01190
   D268      -3.13548  -0.00007   0.00061   0.00101   0.00162  -3.13386
   D269      -3.12390  -0.00006   0.00042   0.00088   0.00130  -3.12260
   D270       0.01323  -0.00010   0.00067   0.00092   0.00159   0.01482
   D271      -0.00721  -0.00000  -0.00004  -0.00072  -0.00076  -0.00797
   D272       3.12344   0.00007  -0.00053  -0.00114  -0.00167   3.12177
   D273       3.13885   0.00003  -0.00030  -0.00076  -0.00105   3.13780
   D274      -0.01368   0.00011  -0.00079  -0.00118  -0.00196  -0.01564
   D275       0.00615  -0.00000  -0.00011   0.00011  -0.00000   0.00615
   D276      -3.14147   0.00002   0.00017   0.00138   0.00155  -3.13992
   D277      -3.12412  -0.00010   0.00034   0.00018   0.00052  -3.12361
   D278       0.01144  -0.00008   0.00063   0.00145   0.00208   0.01351
   D279      -0.00821   0.00002  -0.00014  -0.00068  -0.00082  -0.00903
   D280       3.12882   0.00002  -0.00003  -0.00044  -0.00046   3.12835
   D281       3.13939   0.00000  -0.00043  -0.00194  -0.00237   3.13703
   D282      -0.00676   0.00000  -0.00031  -0.00170  -0.00202  -0.00878
   D283      -0.00517  -0.00000   0.00001  -0.00047  -0.00046  -0.00562
   D284       3.12701   0.00001   0.00003  -0.00088  -0.00085   3.12616
   D285       3.14097  -0.00000  -0.00011  -0.00071  -0.00081   3.14016
   D286      -0.01004   0.00001  -0.00008  -0.00112  -0.00120  -0.01124
   D287      -0.00242  -0.00001   0.00014  -0.00014  -0.00000  -0.00243
   D288       3.13823   0.00004   0.00011   0.00122   0.00133   3.13956
   D289       3.13476  -0.00002   0.00008  -0.00150  -0.00142   3.13334
   D290      -0.00778   0.00002   0.00005  -0.00014  -0.00009  -0.00786
   D291      -0.00807   0.00001  -0.00019  -0.00109  -0.00128  -0.00935
   D292       3.13960  -0.00004  -0.00015  -0.00145  -0.00160   3.13799
   D293       3.13447  -0.00003  -0.00016  -0.00246  -0.00262   3.13185
   D294      -0.00105  -0.00008  -0.00012  -0.00282  -0.00294  -0.00399
   D295       0.00344   0.00003  -0.00021   0.00051   0.00030   0.00374
   D296      -3.13140  -0.00001   0.00004   0.00112   0.00116  -3.13023
   D297       3.13894   0.00008  -0.00025   0.00087   0.00062   3.13956
   D298       0.00410   0.00004   0.00000   0.00149   0.00149   0.00559
   D299       1.63807  -0.00335  -0.02080  -0.01892  -0.03969   1.59838
   D300      -0.55091  -0.00367  -0.02050  -0.02585  -0.04632  -0.59723
   D301      -2.79345  -0.00517  -0.02451  -0.04685  -0.07142  -2.86486
   D302       2.20890   0.00016   0.06581   0.18042   0.24653   2.45543
   D303      -1.96509   0.00126   0.06492   0.17790   0.24270  -1.72238
   D304       0.28329   0.00306   0.06285   0.18010   0.24277   0.52606
   D305      -2.24701  -0.00375   0.01377  -0.01003   0.00374  -2.24327
   D306      -0.12770  -0.00564   0.01484  -0.01160   0.00324  -0.12445
   D307       1.93274  -0.00379   0.01477  -0.01023   0.00454   1.93729
   D308       2.27471  -0.00020  -0.04191  -0.08110  -0.12297   2.15174
   D309      -1.91145   0.00041  -0.04262  -0.08205  -0.12472  -2.03617
   D310       0.14532  -0.00062  -0.04439  -0.09265  -0.13704   0.00828
   D311      -3.11418  -0.00152  -0.00344   0.00170  -0.00174  -3.11592
   D312      -1.02579  -0.00153  -0.00316   0.00177  -0.00140  -1.02719
   D313       1.10860  -0.00174  -0.00335  -0.00153  -0.00488   1.10372
   D314       1.06872   0.00223  -0.00651   0.00441  -0.00209   1.06663
   D315      -3.12608   0.00222  -0.00623   0.00448  -0.00175  -3.12782
   D316      -0.99169   0.00202  -0.00642   0.00118  -0.00523  -0.99692
   D317      -1.08688  -0.00007  -0.00382   0.00434   0.00051  -1.08637
   D318       1.00151  -0.00008  -0.00355   0.00440   0.00086   1.00236
   D319       3.13590  -0.00029  -0.00373   0.00111  -0.00263   3.13327
   D320      -1.09818   0.00143  -0.00226   0.02498   0.02272  -1.07546
   D321       1.00488  -0.00065   0.00003   0.02089   0.02091   1.02579
   D322      -3.10295   0.00005  -0.00275   0.02092   0.01818  -3.08477
   D323       2.93141   0.00019  -0.01643   0.00391  -0.01255   2.91886
   D324      -1.25037   0.00006  -0.01570   0.00312  -0.01260  -1.26297
   D325       0.85399   0.00004  -0.01565   0.00338  -0.01230   0.84169
   D326       0.87569   0.00064  -0.01407   0.01430   0.00022   0.87592
   D327       2.97710   0.00050  -0.01334   0.01351   0.00017   2.97727
   D328      -1.20172   0.00048  -0.01329   0.01377   0.00047  -1.20125
   D329      -1.25483   0.00077  -0.01451   0.01480   0.00032  -1.25451
   D330       0.84658   0.00064  -0.01377   0.01401   0.00026   0.84684
   D331       2.95094   0.00062  -0.01373   0.01427   0.00056   2.95151
         Item               Value     Threshold  Converged?
 Maximum Force            0.014337     0.000450     NO 
 RMS     Force            0.001077     0.000300     NO 
 Maximum Displacement     0.601280     0.001800     NO 
 RMS     Displacement     0.075969     0.001200     NO 
 Predicted change in Energy=-1.766789D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.702516    3.192202    0.004431
      2          6           0       -2.832053    1.818944    0.228737
      3          6           0       -1.720025    0.976956    0.136637
      4          6           0       -0.449443    1.536798   -0.099943
      5          6           0       -0.329782    2.907715   -0.353779
      6          6           0       -1.447535    3.730444   -0.319768
      7          6           0       -1.820622   -0.489031    0.161651
      8          6           0       -0.674417   -1.273066    0.442560
      9          6           0        0.591818   -0.580407    0.778936
     10          6           0        0.751829    0.696400    0.029935
     11          6           0       -3.005206   -1.114833   -0.240430
     12          6           0       -3.073831   -2.498804   -0.405002
     13          6           0       -1.918073   -3.264852   -0.212282
     14          6           0       -0.740780   -2.653761    0.192073
     15          7           0        1.751017   -1.315400    1.019271
     16          6           0        3.001093   -0.820158    0.550410
     17          6           0        3.017101    0.370526   -0.211018
     18          7           0        1.878701    1.125967   -0.429468
     19          6           0        4.219084   -1.488063    0.748736
     20          6           0        5.401559   -0.993498    0.210719
     21          6           0        5.412097    0.173918   -0.565213
     22          6           0        4.212079    0.845598   -0.767917
     23          7           0       -3.835862    4.038269    0.097748
     24          7           0       -4.278048   -3.112847   -0.823555
     25          7           0        6.622394    0.663581   -1.116806
     26          6           0       -4.892374   -4.205407   -0.196777
     27          6           0       -6.056635   -4.557895   -0.923422
     28          6           0       -6.144456   -3.645655   -2.044518
     29          6           0       -5.031850   -2.771389   -1.954867
     30          6           0       -3.925731    5.203957    0.871504
     31          6           0       -5.206668    5.780942    0.687510
     32          6           0       -5.923254    4.928940   -0.237865
     33          6           0       -5.051087    3.863937   -0.577931
     34          6           0        7.154204    1.944763   -0.920642
     35          6           0        8.401850    2.031135   -1.588334
     36          6           0        8.635054    0.746483   -2.212947
     37          6           0        7.522182   -0.073103   -1.897351
     38          6           0       -7.039616   -3.516933   -3.111962
     39          6           0       -6.813816   -2.536260   -4.072482
     40          6           0       -5.696503   -1.690533   -3.979282
     41          6           0       -4.790073   -1.796530   -2.926521
     42          6           0       -4.525008   -4.877216    0.971349
     43          6           0       -5.335284   -5.929259    1.392798
     44          6           0       -6.485822   -6.300954    0.677839
     45          6           0       -6.853874   -5.617013   -0.476609
     46          6           0       -7.204942    4.977575   -0.796549
     47          6           0       -7.596529    3.979851   -1.683949
     48          6           0       -6.715877    2.939383   -2.021856
     49          6           0       -5.435109    2.867249   -1.478558
     50          6           0       -2.988947    5.766455    1.742296
     51          6           0       -3.343671    6.939330    2.404473
     52          6           0       -4.600005    7.538454    2.214252
     53          6           0       -5.535917    6.962048    1.361960
     54          6           0        9.674081    0.228652   -2.994075
     55          6           0        9.586810   -1.080281   -3.457394
     56          6           0        8.467557   -1.872294   -3.152861
     57          6           0        7.420938   -1.382534   -2.374650
     58          6           0        6.645796    3.015776   -0.181418
     59          6           0        7.396392    4.188580   -0.139608
     60          6           0        8.624510    4.297959   -0.812191
     61          6           0        9.132402    3.223366   -1.535131
     62          8           0        0.371852   -2.799449    2.797494
     63         15           0        1.714096   -2.623340    2.225599
     64          8           0        2.892692   -2.342328    3.279279
     65          8           0        2.300284   -3.808967    1.336424
     66          6           0        2.584453   -1.552242    4.490794
     67          6           0        3.589132   -0.428018    4.621803
     68          6           0        3.230398   -4.853947    1.734253
     69          6           0        2.598435   -6.207967    1.464573
     70          1           0       -3.798677    1.418659    0.509276
     71          1           0        0.652442    3.315502   -0.561059
     72          1           0       -1.356967    4.791045   -0.525925
     73          1           0       -3.877310   -0.514801   -0.468383
     74          1           0       -1.937984   -4.330162   -0.411941
     75          1           0        0.146121   -3.268553    0.250455
     76          1           0        4.280689   -2.372522    1.360342
     77          1           0        6.332575   -1.512482    0.408887
     78          1           0        4.163994    1.749166   -1.363301
     79          1           0       -7.898186   -4.177655   -3.189937
     80          1           0       -7.501096   -2.427155   -4.905562
     81          1           0       -5.526050   -0.942880   -4.748799
     82          1           0       -3.926090   -1.144788   -2.871004
     83          1           0       -3.646071   -4.587799    1.537718
     84          1           0       -5.069939   -6.469465    2.296666
     85          1           0       -7.096533   -7.124163    1.035329
     86          1           0       -7.749821   -5.898589   -1.022323
     87          1           0       -7.883479    5.787842   -0.543273
     88          1           0       -8.589004    4.006284   -2.123149
     89          1           0       -7.037647    2.167842   -2.715016
     90          1           0       -4.760146    2.066027   -1.756448
     91          1           0       -2.025257    5.300150    1.912252
     92          1           0       -2.632815    7.394627    3.087493
     93          1           0       -4.841430    8.456604    2.740787
     94          1           0       -6.514006    7.415445    1.229105
     95          1           0       10.532268    0.845706   -3.244051
     96          1           0       10.387284   -1.493715   -4.062942
     97          1           0        8.412044   -2.887746   -3.534075
     98          1           0        6.554879   -1.997104   -2.157108
     99          1           0        5.702906    2.940657    0.348023
    100          1           0        7.020301    5.035082    0.427164
    101          1           0        9.182583    5.227594   -0.761670
    102          1           0       10.087364    3.305034   -2.046450
    103          1           0        1.570694   -1.160194    4.414021
    104          1           0        2.650631   -2.259632    5.321454
    105          1           0        3.370843    0.136251    5.534299
    106          1           0        4.613837   -0.806499    4.685987
    107          1           0        3.511062    0.261408    3.777884
    108          1           0        4.132161   -4.711090    1.132159
    109          1           0        3.486731   -4.720426    2.787340
    110          1           0        3.358185   -6.992432    1.541952
    111          1           0        1.798448   -6.425130    2.176553
    112          1           0        2.181652   -6.235175    0.454210
    113         17           0        0.244717    0.493159    2.761906
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0349840           0.0181862           0.0142524
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10680.3294611764 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.72D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999994    0.002029   -0.000440   -0.002750 Ang=   0.39 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.47972088     A.U. after   13 cycles
            NFock= 13  Conv=0.40D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001145876   -0.000186631    0.000316624
      2        6          -0.000578577    0.001145442   -0.000755777
      3        6           0.000433068    0.000572498   -0.000689090
      4        6           0.001519674    0.000044677    0.001946783
      5        6          -0.000706363    0.000982268    0.000009861
      6        6           0.001058323    0.000084500   -0.000268414
      7        6          -0.000560064   -0.000393147    0.000870550
      8        6          -0.001682363   -0.001774331   -0.003270443
      9        6          -0.002785080    0.003377893    0.003339458
     10        6          -0.001388415    0.001570057   -0.000088611
     11        6          -0.000505729   -0.000326147    0.000540125
     12        6          -0.000805308    0.000372488   -0.000546644
     13        6           0.000677773   -0.000236871    0.000527914
     14        6           0.000182781   -0.000663492    0.000376588
     15        7           0.007828745   -0.004371052   -0.002668015
     16        6          -0.001547269   -0.002707487    0.000159824
     17        6          -0.003687322    0.002488302    0.001338729
     18        7           0.003148123   -0.000370036   -0.001767671
     19        6           0.002497910    0.000728800    0.000499973
     20        6          -0.000610011   -0.001417412    0.001370304
     21        6          -0.000966306    0.001760205   -0.001244708
     22        6           0.002294116    0.000254834   -0.000945838
     23        7           0.000737995   -0.000475466    0.000130841
     24        7           0.001071442    0.000252355    0.000088104
     25        7           0.000014173   -0.001054028    0.000747981
     26        6          -0.000048361   -0.000681333    0.000226458
     27        6           0.000142314    0.000394414    0.000106773
     28        6           0.000182758   -0.000237279   -0.000419054
     29        6          -0.000515458    0.000302657   -0.000355536
     30        6           0.000422813    0.000628710    0.000098602
     31        6           0.000116176    0.000865103   -0.000995524
     32        6          -0.000028845   -0.000617456    0.000543209
     33        6          -0.000867855   -0.000663649    0.000204055
     34        6           0.000271085    0.000960636    0.000193161
     35        6          -0.000645976    0.000477908   -0.000620749
     36        6           0.000735852   -0.000494917    0.000753859
     37        6           0.000018570   -0.000087835   -0.000449296
     38        6          -0.000456447   -0.000116631    0.000360049
     39        6          -0.000115460    0.000195964   -0.000219858
     40        6           0.000190940    0.000302902   -0.000632522
     41        6          -0.000382040    0.000358932    0.000595247
     42        6           0.000460793   -0.000055230    0.000603250
     43        6           0.000267062   -0.000116526    0.000215365
     44        6          -0.000257413   -0.000106406    0.000126459
     45        6          -0.000282963   -0.000278550   -0.000087458
     46        6          -0.000367625    0.000520894   -0.000209503
     47        6          -0.000314784    0.000160865   -0.000185160
     48        6          -0.000034544   -0.000454475    0.000142517
     49        6           0.000183107    0.000143877   -0.000432078
     50        6           0.000051038   -0.000429816    0.000250318
     51        6           0.000190074    0.000092262    0.000352163
     52        6           0.000171526    0.000326187    0.000056348
     53        6          -0.000527497   -0.000488261    0.000383809
     54        6          -0.000312007    0.000518198   -0.000605518
     55        6           0.000249545   -0.000143625   -0.000166770
     56        6          -0.000074144   -0.000267919   -0.000061125
     57        6          -0.000150211   -0.000035755   -0.000049078
     58        6          -0.000195938   -0.000040668    0.000078694
     59        6          -0.000296994    0.000126421    0.000219165
     60        6           0.000209567    0.000077100   -0.000012680
     61        6           0.000577264    0.000025042    0.000142579
     62        8          -0.001190611   -0.002091125    0.001492032
     63       15          -0.000754484    0.000104346    0.006231235
     64        8          -0.004683361    0.004271315   -0.003732360
     65        8           0.003937675    0.001405256   -0.005827250
     66        6           0.002919484   -0.000013391    0.000702851
     67        6           0.000989373    0.000136129   -0.000138252
     68        6          -0.003119301   -0.001633493    0.003103014
     69        6           0.000539859    0.000075849   -0.000182951
     70        1          -0.000635663    0.000170256   -0.000706877
     71        1           0.000259811   -0.000033559    0.000115756
     72        1          -0.000098704    0.000055242    0.000057886
     73        1          -0.000444091   -0.000494893    0.000527367
     74        1           0.000019144    0.000151942   -0.000343962
     75        1          -0.000038544    0.000347714    0.000405235
     76        1          -0.000494607   -0.000393806   -0.000407706
     77        1           0.000199570   -0.000081786   -0.000300525
     78        1          -0.000057966    0.000312041   -0.000065462
     79        1           0.000108520   -0.000128401   -0.000120466
     80        1          -0.000049171    0.000041955   -0.000005740
     81        1          -0.000133160   -0.000038516    0.000311824
     82        1           0.000550364    0.000014941   -0.000157380
     83        1          -0.000366405   -0.000157850   -0.000140809
     84        1          -0.000048843    0.000059215    0.000072889
     85        1           0.000081083   -0.000081784   -0.000051080
     86        1          -0.000029999    0.000049146   -0.000009297
     87        1           0.000251135   -0.000268272   -0.000070787
     88        1           0.000005972   -0.000096536    0.000099720
     89        1           0.000048413    0.000221617   -0.000203556
     90        1           0.000146029   -0.000167470   -0.000025685
     91        1           0.000260175    0.000228330   -0.000225591
     92        1           0.000094120    0.000059681   -0.000039280
     93        1          -0.000049849   -0.000138370    0.000151697
     94        1           0.000033842    0.000128946   -0.000190619
     95        1           0.000172498   -0.000065035    0.000207253
     96        1          -0.000041139    0.000031991   -0.000095104
     97        1          -0.000028094    0.000011563    0.000031543
     98        1          -0.000195506   -0.000201626    0.000222288
     99        1          -0.000240706   -0.000099443   -0.000008268
    100        1          -0.000009450   -0.000018709    0.000033676
    101        1          -0.000021295    0.000081817   -0.000060145
    102        1          -0.000035030   -0.000044412    0.000010848
    103        1          -0.000745309   -0.001590380    0.000338618
    104        1          -0.000758259    0.000030998   -0.000112082
    105        1           0.000316175   -0.000257695    0.000275959
    106        1          -0.000234414    0.000186165   -0.000263430
    107        1          -0.000024042   -0.000185251   -0.000190174
    108        1          -0.000229654    0.000738185   -0.000381345
    109        1           0.001203212   -0.000580824   -0.000110125
    110        1          -0.000118696   -0.000190038    0.000748063
    111        1          -0.000492446    0.000459449   -0.000079550
    112        1           0.000582362   -0.000216908   -0.000292670
    113       17          -0.000411378   -0.000924481   -0.000769842
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007828745 RMS     0.001143959

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006841494 RMS     0.000778354
 Search for a local minimum.
 Step number  20 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   19   20
 DE= -2.21D-03 DEPred=-1.77D-03 R= 1.25D+00
 TightC=F SS=  1.41D+00  RLast= 5.37D-01 DXNew= 4.2976D+00 1.6116D+00
 Trust test= 1.25D+00 RLast= 5.37D-01 DXMaxT set to 2.56D+00
 ITU=  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00091   0.00506   0.00740   0.00948   0.01220
     Eigenvalues ---    0.01347   0.01642   0.01911   0.02328   0.02478
     Eigenvalues ---    0.02485   0.02541   0.02556   0.02572   0.02587
     Eigenvalues ---    0.02606   0.02637   0.02678   0.02679   0.02696
     Eigenvalues ---    0.02702   0.02707   0.02712   0.02717   0.02748
     Eigenvalues ---    0.02752   0.02776   0.02787   0.02794   0.02802
     Eigenvalues ---    0.02811   0.02812   0.02813   0.02818   0.02828
     Eigenvalues ---    0.02836   0.02846   0.02861   0.02865   0.02872
     Eigenvalues ---    0.02875   0.02882   0.02892   0.02897   0.02900
     Eigenvalues ---    0.02902   0.02906   0.02915   0.02917   0.02918
     Eigenvalues ---    0.02924   0.02927   0.02940   0.02947   0.02949
     Eigenvalues ---    0.02950   0.02951   0.02952   0.02958   0.02962
     Eigenvalues ---    0.02964   0.02965   0.02966   0.02971   0.02977
     Eigenvalues ---    0.02987   0.02990   0.02992   0.02999   0.03013
     Eigenvalues ---    0.03019   0.03026   0.03030   0.03046   0.03058
     Eigenvalues ---    0.03059   0.03063   0.03067   0.03079   0.03092
     Eigenvalues ---    0.03099   0.03105   0.03117   0.03131   0.03137
     Eigenvalues ---    0.03148   0.03162   0.03168   0.03177   0.03186
     Eigenvalues ---    0.03210   0.03228   0.03245   0.03275   0.03280
     Eigenvalues ---    0.03331   0.03390   0.03587   0.04186   0.05308
     Eigenvalues ---    0.05448   0.05701   0.05767   0.05850   0.05883
     Eigenvalues ---    0.05899   0.06204   0.06612   0.08442   0.11494
     Eigenvalues ---    0.11671   0.12206   0.12752   0.13443   0.13745
     Eigenvalues ---    0.14941   0.15917   0.15951   0.15981   0.15986
     Eigenvalues ---    0.15990   0.15992   0.15996   0.15996   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16004   0.16008
     Eigenvalues ---    0.16010   0.16033   0.16058   0.16104   0.17879
     Eigenvalues ---    0.19748   0.20811   0.21396   0.21567   0.21938
     Eigenvalues ---    0.21998   0.21999   0.22000   0.22001   0.22005
     Eigenvalues ---    0.22251   0.22373   0.22438   0.22522   0.22593
     Eigenvalues ---    0.22599   0.22608   0.22621   0.22666   0.23018
     Eigenvalues ---    0.23236   0.23441   0.23533   0.23682   0.23836
     Eigenvalues ---    0.24264   0.24429   0.24453   0.24472   0.24486
     Eigenvalues ---    0.24519   0.24528   0.24574   0.24697   0.24901
     Eigenvalues ---    0.24917   0.24942   0.24961   0.24968   0.24975
     Eigenvalues ---    0.24983   0.24990   0.24993   0.25000   0.25059
     Eigenvalues ---    0.25107   0.25397   0.25607   0.25779   0.26415
     Eigenvalues ---    0.26674   0.27137   0.27816   0.28525   0.28746
     Eigenvalues ---    0.28854   0.29228   0.29329   0.29646   0.29950
     Eigenvalues ---    0.30078   0.30428   0.30647   0.30718   0.30784
     Eigenvalues ---    0.30914   0.31045   0.31147   0.31260   0.31385
     Eigenvalues ---    0.31392   0.31503   0.31667   0.32135   0.32232
     Eigenvalues ---    0.32534   0.32870   0.33151   0.33539   0.33842
     Eigenvalues ---    0.33970   0.34090   0.34315   0.34497   0.34670
     Eigenvalues ---    0.34937   0.35022   0.35156   0.35478   0.35583
     Eigenvalues ---    0.35949   0.36389   0.36778   0.37135   0.37309
     Eigenvalues ---    0.38995   0.39918   0.41488   0.41556   0.42044
     Eigenvalues ---    0.42722   0.42945   0.43413   0.44441   0.45315
     Eigenvalues ---    0.46486   0.47092   0.47097   0.47181   0.47595
     Eigenvalues ---    0.47718   0.48341   0.49805   0.50063   0.50368
     Eigenvalues ---    0.50508   0.50610   0.51625   0.51786   0.52013
     Eigenvalues ---    0.52096   0.52266   0.52627   0.53100   0.53162
     Eigenvalues ---    0.53413   0.53785   0.54288   0.54329   0.54975
     Eigenvalues ---    0.55004   0.55260   0.55573   0.55647   0.55959
     Eigenvalues ---    0.56129   0.56186   0.56444   0.56595   0.56756
     Eigenvalues ---    0.56929   0.57065   0.57152   0.57890   0.58224
     Eigenvalues ---    0.58269   0.58282   0.58320   0.58505   0.58610
     Eigenvalues ---    0.58755   0.58914   0.59424   0.59649   0.59787
     Eigenvalues ---    0.59812   0.60195   0.60615   0.60877   0.61769
     Eigenvalues ---    0.62337   0.63253   0.63571   0.64363   0.65194
     Eigenvalues ---    0.65797   0.66704   0.67807   0.68316   0.68874
     Eigenvalues ---    0.72004   0.73201   0.74623   0.79300   0.80616
     Eigenvalues ---    0.85434   0.90083   1.79739
 RFO step:  Lambda=-4.30213926D-03 EMin= 9.10470303D-04
 Quartic linear search produced a step of  0.70012.
 Iteration  1 RMS(Cart)=  0.12076064 RMS(Int)=  0.00918630
 Iteration  2 RMS(Cart)=  0.04497076 RMS(Int)=  0.00124439
 Iteration  3 RMS(Cart)=  0.00275476 RMS(Int)=  0.00017242
 Iteration  4 RMS(Cart)=  0.00000941 RMS(Int)=  0.00017239
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00017239
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64084  -0.00037   0.00139  -0.00034   0.00106   2.64190
    R2        2.65221   0.00065   0.00017   0.00177   0.00199   2.65420
    R3        2.67849  -0.00068  -0.00146  -0.00286  -0.00433   2.67416
    R4        2.64159   0.00126  -0.00148   0.00269   0.00118   2.64277
    R5        2.04692   0.00026  -0.00031   0.00030  -0.00001   2.04692
    R6        2.66161   0.00122   0.00032   0.00433   0.00430   2.66591
    R7        2.77723   0.00215   0.00205   0.00800   0.00975   2.78698
    R8        2.64438   0.00085  -0.00006   0.00289   0.00282   2.64720
    R9        2.78130  -0.00016   0.00170   0.00036   0.00209   2.78339
   R10        2.62353  -0.00036   0.00058  -0.00167  -0.00105   2.62248
   R11        2.04756   0.00018   0.00009   0.00065   0.00074   2.04830
   R12        2.04892   0.00005  -0.00019   0.00020   0.00001   2.04893
   R13        2.67742   0.00130  -0.00248   0.00153  -0.00100   2.67642
   R14        2.64328   0.00066  -0.00050   0.00153   0.00098   2.64426
   R15        2.80054   0.00280   0.01217   0.01162   0.02401   2.82455
   R16        2.65469  -0.00019  -0.00287  -0.00321  -0.00604   2.64865
   R17        2.81362   0.00202   0.00965   0.00815   0.01856   2.83219
   R18        2.63325   0.00671   0.00953   0.02294   0.03286   2.66611
   R19        2.43871   0.00160  -0.00252   0.00325   0.00074   2.43946
   R20        2.63694  -0.00001   0.00031   0.00065   0.00090   2.63785
   R21        2.04629   0.00009   0.00016  -0.00010   0.00006   2.04635
   R22        2.64545   0.00075  -0.00153   0.00163   0.00010   2.64555
   R23        2.67406  -0.00044   0.00135  -0.00032   0.00103   2.67509
   R24        2.62050  -0.00017   0.00223  -0.00008   0.00220   2.62269
   R25        2.04854  -0.00004   0.00005  -0.00030  -0.00024   2.04830
   R26        2.04228  -0.00023  -0.00025   0.00059   0.00034   2.04262
   R27        2.69098  -0.00051   0.00019  -0.00148  -0.00130   2.68967
   R28        3.36313   0.00048  -0.02084  -0.01004  -0.03087   3.33225
   R29        2.67098   0.00232  -0.00229   0.00415   0.00143   2.67241
   R30        2.65164   0.00126  -0.00044   0.00415   0.00373   2.65537
   R31        2.61464  -0.00214   0.00203  -0.00508  -0.00343   2.61120
   R32        2.64818   0.00192  -0.00152   0.00458   0.00302   2.65120
   R33        2.62686  -0.00070   0.00033  -0.00302  -0.00265   2.62421
   R34        2.03541   0.00007   0.00092  -0.00024   0.00068   2.03608
   R35        2.64902   0.00148  -0.00009   0.00461   0.00454   2.65355
   R36        2.04877   0.00019   0.00007   0.00066   0.00073   2.04950
   R37        2.62685  -0.00081   0.00075  -0.00283  -0.00210   2.62474
   R38        2.67838  -0.00032  -0.00079  -0.00235  -0.00315   2.67523
   R39        2.04687   0.00031  -0.00011   0.00078   0.00067   2.04754
   R40        2.64940   0.00034   0.00101   0.00247   0.00348   2.65288
   R41        2.64812   0.00063   0.00161   0.00357   0.00519   2.65331
   R42        2.64827   0.00095  -0.00079   0.00302   0.00223   2.65050
   R43        2.64877   0.00048  -0.00050   0.00188   0.00138   2.65015
   R44        2.64746   0.00073   0.00073   0.00378   0.00451   2.65197
   R45        2.64668   0.00011   0.00041   0.00180   0.00221   2.64889
   R46        2.67766   0.00028   0.00005   0.00042   0.00046   2.67812
   R47        2.63940   0.00060  -0.00001   0.00162   0.00161   2.64102
   R48        2.73635   0.00055  -0.00028   0.00115   0.00087   2.73722
   R49        2.64357   0.00046   0.00020   0.00136   0.00156   2.64513
   R50        2.67933   0.00008   0.00026   0.00018   0.00044   2.67977
   R51        2.64381   0.00028  -0.00002   0.00013   0.00011   2.64391
   R52        2.64083   0.00018   0.00004   0.00012   0.00016   2.64099
   R53        2.67752   0.00038  -0.00020   0.00101   0.00081   2.67833
   R54        2.64038   0.00030  -0.00002   0.00053   0.00051   2.64089
   R55        2.73568   0.00056  -0.00052   0.00082   0.00030   2.73598
   R56        2.64447   0.00019  -0.00019   0.00016  -0.00003   2.64444
   R57        2.67952  -0.00001  -0.00054  -0.00092  -0.00146   2.67806
   R58        2.64374   0.00036   0.00012   0.00104   0.00116   2.64490
   R59        2.64020   0.00030   0.00023   0.00082   0.00105   2.64126
   R60        2.67908   0.00015  -0.00030  -0.00023  -0.00053   2.67855
   R61        2.64021   0.00012  -0.00005   0.00005   0.00000   2.64022
   R62        2.73512   0.00070  -0.00016   0.00190   0.00173   2.73685
   R63        2.64423   0.00030  -0.00004   0.00041   0.00037   2.64460
   R64        2.67902   0.00027  -0.00032  -0.00007  -0.00038   2.67864
   R65        2.64419   0.00024  -0.00001   0.00041   0.00040   2.64459
   R66        2.64067   0.00013  -0.00011   0.00006  -0.00005   2.64062
   R67        2.62890   0.00058   0.00004   0.00165   0.00169   2.63059
   R68        2.05257   0.00002   0.00003   0.00013   0.00016   2.05273
   R69        2.65393   0.00033  -0.00004   0.00031   0.00026   2.65419
   R70        2.05127   0.00004  -0.00008  -0.00012  -0.00019   2.05108
   R71        2.63287   0.00028  -0.00008   0.00062   0.00054   2.63341
   R72        2.05294  -0.00023  -0.00021  -0.00067  -0.00088   2.05206
   R73        2.04782   0.00041  -0.00010   0.00115   0.00105   2.04887
   R74        2.63274   0.00013  -0.00025   0.00009  -0.00016   2.63258
   R75        2.05021  -0.00041  -0.00004  -0.00270  -0.00275   2.04747
   R76        2.65442   0.00033   0.00018   0.00069   0.00087   2.65529
   R77        2.05208   0.00000   0.00002   0.00010   0.00011   2.05219
   R78        2.62936   0.00032  -0.00017   0.00028   0.00011   2.62947
   R79        2.05141   0.00002  -0.00001   0.00001  -0.00001   2.05140
   R80        2.05260   0.00002   0.00003   0.00007   0.00010   2.05270
   R81        2.62956   0.00024  -0.00031   0.00004  -0.00028   2.62928
   R82        2.05372  -0.00037  -0.00011  -0.00170  -0.00181   2.05191
   R83        2.65391   0.00031   0.00003   0.00082   0.00084   2.65475
   R84        2.05155  -0.00004  -0.00003  -0.00003  -0.00006   2.05149
   R85        2.63259   0.00017   0.00005   0.00063   0.00068   2.63327
   R86        2.05214  -0.00002  -0.00000   0.00004   0.00004   2.05219
   R87        2.04820   0.00021  -0.00023   0.00076   0.00053   2.04873
   R88        2.63205   0.00024   0.00011   0.00079   0.00089   2.63294
   R89        2.04843   0.00015  -0.00022   0.00048   0.00026   2.04869
   R90        2.65472   0.00031  -0.00048   0.00006  -0.00043   2.65429
   R91        2.05201   0.00006  -0.00002   0.00015   0.00013   2.05214
   R92        2.62840   0.00058  -0.00003   0.00114   0.00110   2.62950
   R93        2.05148  -0.00000  -0.00002  -0.00001  -0.00003   2.05145
   R94        2.05266   0.00001  -0.00003   0.00001  -0.00002   2.05264
   R95        2.62909   0.00047   0.00003   0.00128   0.00130   2.63039
   R96        2.05253   0.00004  -0.00011  -0.00011  -0.00022   2.05231
   R97        2.65421   0.00040  -0.00022   0.00044   0.00022   2.65443
   R98        2.05135   0.00002  -0.00001   0.00012   0.00010   2.05146
   R99        2.63269   0.00016   0.00001   0.00055   0.00057   2.63325
   R100       2.05237  -0.00003  -0.00005  -0.00006  -0.00011   2.05227
   R101       2.04848   0.00031  -0.00007   0.00112   0.00105   2.04953
   R102       2.63250   0.00015  -0.00012  -0.00007  -0.00019   2.63231
   R103       2.04841   0.00022   0.00001   0.00063   0.00063   2.04904
   R104       2.65411   0.00051   0.00003   0.00123   0.00126   2.65537
   R105       2.05211   0.00001   0.00004   0.00018   0.00022   2.05233
   R106       2.62892   0.00034  -0.00015   0.00049   0.00034   2.62927
   R107       2.05122   0.00006  -0.00003  -0.00008  -0.00011   2.05111
   R108       2.05283  -0.00004   0.00001   0.00005   0.00006   2.05289
   R109       2.77712   0.00220   0.00197   0.00384   0.00580   2.78293
   R110       3.03435  -0.00417   0.00657  -0.00746  -0.00089   3.03346
   R111       3.01170   0.00289  -0.00101   0.00850   0.00749   3.01919
   R112       2.79463  -0.00162  -0.00018  -0.00095  -0.00113   2.79350
   R113       2.74847   0.00014   0.00220   0.00157   0.00377   2.75224
   R114       2.85994   0.00049   0.00130   0.00179   0.00309   2.86303
   R115       2.05911   0.00042  -0.00085  -0.00002  -0.00088   2.05823
   R116       2.06558  -0.00023  -0.00005  -0.00062  -0.00067   2.06491
   R117       2.06897   0.00009   0.00032   0.00058   0.00090   2.06986
   R118       2.06784  -0.00026  -0.00042  -0.00147  -0.00189   2.06595
   R119       2.06457   0.00000   0.00034   0.00049   0.00083   2.06540
   R120       2.86932  -0.00034   0.00199   0.00115   0.00314   2.87246
   R121       2.06673   0.00025   0.00047   0.00108   0.00155   2.06827
   R122       2.06364   0.00023  -0.00108   0.00038  -0.00070   2.06294
   R123       2.06888  -0.00001  -0.00002  -0.00023  -0.00025   2.06863
   R124       2.06496   0.00012  -0.00004   0.00041   0.00037   2.06533
   R125       2.06602  -0.00000  -0.00008  -0.00004  -0.00012   2.06590
   R126       5.07815   0.00005  -0.02218   0.02955   0.00737   5.08552
    A1        2.09073   0.00019  -0.00061   0.00027  -0.00037   2.09036
    A2        2.09658  -0.00051  -0.00005  -0.00286  -0.00291   2.09367
    A3        2.09587   0.00032   0.00065   0.00256   0.00321   2.09908
    A4        2.10318   0.00024  -0.00067   0.00240   0.00155   2.10473
    A5        2.07994  -0.00053   0.00313  -0.00291   0.00019   2.08013
    A6        2.09947   0.00030  -0.00224   0.00103  -0.00125   2.09822
    A7        2.08207  -0.00056   0.00190  -0.00223  -0.00020   2.08187
    A8        2.14750   0.00008  -0.00099  -0.00524  -0.00588   2.14162
    A9        2.05003   0.00048  -0.00157   0.00694   0.00472   2.05476
   A10        2.09096  -0.00007  -0.00108  -0.00029  -0.00144   2.08951
   A11        2.08806   0.00023  -0.00114   0.00461   0.00329   2.09135
   A12        2.10089  -0.00013   0.00202  -0.00251  -0.00042   2.10047
   A13        2.10282   0.00021  -0.00000   0.00216   0.00209   2.10491
   A14        2.07251  -0.00026   0.00011  -0.00289  -0.00277   2.06974
   A15        2.10773   0.00005  -0.00007   0.00084   0.00078   2.10851
   A16        2.09245   0.00002   0.00071  -0.00059   0.00007   2.09252
   A17        2.08720  -0.00012  -0.00007  -0.00078  -0.00090   2.08629
   A18        2.10340   0.00010  -0.00053   0.00156   0.00097   2.10437
   A19        2.09439  -0.00013   0.00049   0.00364   0.00385   2.09824
   A20        2.09366   0.00077  -0.00283   0.00274   0.00004   2.09370
   A21        2.08810  -0.00065   0.00160  -0.00579  -0.00409   2.08401
   A22        2.06870  -0.00032  -0.00419   0.00031  -0.00388   2.06482
   A23        2.06044   0.00055  -0.00034   0.00634   0.00583   2.06626
   A24        2.14147  -0.00017   0.00454  -0.00205   0.00224   2.14372
   A25        1.95892   0.00011  -0.01126   0.00189  -0.01095   1.94796
   A26        2.09833   0.00083  -0.00968  -0.01223  -0.02407   2.07426
   A27        2.03721  -0.00085  -0.00932  -0.00430  -0.01512   2.02209
   A28        2.03346   0.00029  -0.00477   0.00190  -0.00257   2.03090
   A29        2.08428  -0.00038   0.00103  -0.00050  -0.00011   2.08418
   A30        2.16321   0.00009   0.00357  -0.00043   0.00340   2.16661
   A31        2.11680  -0.00005  -0.00093   0.00025  -0.00080   2.11600
   A32        2.08824   0.00050  -0.00134   0.00306   0.00174   2.08998
   A33        2.07733  -0.00045   0.00230  -0.00282  -0.00050   2.07682
   A34        2.07818   0.00031  -0.00081   0.00190   0.00103   2.07920
   A35        2.10263  -0.00073  -0.00035  -0.00495  -0.00529   2.09734
   A36        2.10116   0.00043   0.00124   0.00341   0.00465   2.10582
   A37        2.09430  -0.00002   0.00056  -0.00143  -0.00088   2.09342
   A38        2.09121  -0.00003  -0.00006   0.00039   0.00027   2.09148
   A39        2.09713   0.00006  -0.00033   0.00139   0.00100   2.09813
   A40        2.12376  -0.00016  -0.00053  -0.00231  -0.00288   2.12088
   A41        2.10680  -0.00034   0.00120  -0.00513  -0.00410   2.10270
   A42        2.05080   0.00051  -0.00010   0.00846   0.00820   2.05900
   A43        2.08295  -0.00110   0.00457  -0.00187   0.00319   2.08613
   A44        2.07979   0.00251   0.00323  -0.00194   0.00082   2.08061
   A45        2.09092  -0.00166  -0.00352  -0.00603  -0.01009   2.08083
   A46        2.07178   0.00057   0.00181   0.00220   0.00387   2.07566
   A47        2.15307  -0.00014  -0.00284   0.00050  -0.00229   2.15078
   A48        2.05702  -0.00042   0.00111  -0.00209  -0.00098   2.05604
   A49        2.13612   0.00098  -0.00130   0.00264   0.00087   2.13699
   A50        2.10520  -0.00041   0.00113   0.00061   0.00186   2.10706
   A51        2.04178  -0.00057   0.00023  -0.00313  -0.00264   2.03914
   A52        2.07202   0.00032   0.00255   0.00339   0.00579   2.07782
   A53        2.11102   0.00026  -0.00163   0.00047  -0.00126   2.10976
   A54        2.11854  -0.00054   0.00143  -0.00173  -0.00041   2.11813
   A55        2.05248   0.00030   0.00054   0.00211   0.00254   2.05502
   A56        2.11406   0.00025   0.00075   0.00137   0.00211   2.11617
   A57        2.08224   0.00004  -0.00038   0.00173   0.00132   2.08356
   A58        2.08677  -0.00028  -0.00033  -0.00297  -0.00333   2.08344
   A59        2.06762   0.00029  -0.00018   0.00011  -0.00012   2.06750
   A60        2.10546  -0.00028   0.00068  -0.00070   0.00000   2.10547
   A61        2.11004  -0.00002  -0.00048   0.00057   0.00011   2.11015
   A62        2.11109   0.00003  -0.00091  -0.00049  -0.00149   2.10960
   A63        2.05261  -0.00004   0.00043  -0.00107  -0.00059   2.05201
   A64        2.11948   0.00001   0.00047   0.00158   0.00209   2.12157
   A65        2.19431   0.00007   0.00175   0.00293   0.00467   2.19898
   A66        2.19865  -0.00035  -0.00110  -0.00340  -0.00451   2.19413
   A67        1.89015   0.00028  -0.00065   0.00046  -0.00018   1.88998
   A68        2.18838   0.00049   0.00027   0.00390   0.00414   2.19252
   A69        2.20270  -0.00061  -0.00037  -0.00376  -0.00416   2.19854
   A70        1.89142   0.00013   0.00005   0.00037   0.00040   1.89182
   A71        2.19641  -0.00004  -0.00063  -0.00049  -0.00113   2.19528
   A72        2.19416  -0.00009   0.00081   0.00098   0.00178   2.19594
   A73        1.89144   0.00014  -0.00045  -0.00012  -0.00057   1.89087
   A74        1.90157  -0.00040   0.00024  -0.00145  -0.00120   1.90036
   A75        2.25718   0.00036  -0.00055   0.00101   0.00045   2.25763
   A76        2.12393   0.00003   0.00033   0.00029   0.00062   2.12454
   A77        1.86518   0.00028  -0.00020   0.00136   0.00116   1.86634
   A78        2.08611  -0.00013  -0.00038  -0.00066  -0.00105   2.08506
   A79        2.33186  -0.00015   0.00057  -0.00075  -0.00020   2.33166
   A80        1.86703  -0.00000  -0.00010  -0.00010  -0.00021   1.86682
   A81        2.32883   0.00017   0.00027   0.00124   0.00150   2.33032
   A82        2.08702  -0.00016  -0.00018  -0.00099  -0.00118   2.08584
   A83        1.89952  -0.00000   0.00001  -0.00010  -0.00010   1.89942
   A84        2.26280  -0.00029   0.00001  -0.00145  -0.00146   2.26134
   A85        2.11993   0.00030   0.00007   0.00172   0.00179   2.12172
   A86        1.90166  -0.00032  -0.00002  -0.00157  -0.00160   1.90006
   A87        2.25972   0.00003   0.00062   0.00059   0.00118   2.26089
   A88        2.12131   0.00029  -0.00070   0.00079   0.00008   2.12139
   A89        1.86591   0.00015   0.00035   0.00114   0.00149   1.86739
   A90        2.08727  -0.00024   0.00034  -0.00098  -0.00064   2.08663
   A91        2.33001   0.00009  -0.00069  -0.00015  -0.00085   2.32916
   A92        1.86594   0.00006   0.00037   0.00072   0.00111   1.86705
   A93        2.32993   0.00010  -0.00103  -0.00066  -0.00171   2.32822
   A94        2.08731  -0.00016   0.00066  -0.00006   0.00058   2.08789
   A95        1.90110  -0.00017  -0.00004  -0.00074  -0.00081   1.90029
   A96        2.26260  -0.00005   0.00071   0.00002   0.00067   2.26327
   A97        2.11923   0.00022  -0.00075   0.00050  -0.00029   2.11894
   A98        1.90058  -0.00013   0.00005  -0.00075  -0.00070   1.89988
   A99        2.26137  -0.00022  -0.00031  -0.00161  -0.00192   2.25945
   A100       2.12084   0.00035   0.00022   0.00230   0.00252   2.12336
   A101       1.86603  -0.00001   0.00013   0.00064   0.00077   1.86680
   A102       2.08687  -0.00014  -0.00011  -0.00124  -0.00136   2.08551
   A103       2.33027   0.00015  -0.00002   0.00059   0.00056   2.33084
   A104       1.86562   0.00004   0.00009   0.00035   0.00044   1.86607
   A105       2.33095   0.00016  -0.00021   0.00031   0.00009   2.33104
   A106       2.08660  -0.00020   0.00011  -0.00063  -0.00052   2.08608
   A107       1.90107  -0.00004   0.00017  -0.00010   0.00007   1.90114
   A108       2.26100  -0.00028  -0.00024  -0.00154  -0.00179   2.25921
   A109       2.12066   0.00032   0.00003   0.00157   0.00160   2.12226
   A110       2.08037  -0.00003   0.00012  -0.00007   0.00004   2.08041
   A111       2.09968  -0.00000  -0.00007  -0.00031  -0.00039   2.09929
   A112       2.10313   0.00003  -0.00004   0.00039   0.00035   2.10348
   A113       2.10345   0.00006  -0.00000   0.00036   0.00036   2.10381
   A114       2.09207  -0.00001   0.00002  -0.00001   0.00001   2.09209
   A115       2.08763  -0.00004  -0.00002  -0.00035  -0.00037   2.08726
   A116       2.11990  -0.00013   0.00003  -0.00018  -0.00016   2.11974
   A117       2.08548   0.00008   0.00018   0.00070   0.00087   2.08635
   A118       2.07774   0.00004  -0.00019  -0.00047  -0.00067   2.07708
   A119       2.05543  -0.00004  -0.00001  -0.00082  -0.00084   2.05460
   A120       2.11983  -0.00007  -0.00021  -0.00051  -0.00073   2.11911
   A121       2.10791   0.00010   0.00023   0.00131   0.00154   2.10944
   A122       2.05245   0.00002  -0.00007  -0.00013  -0.00020   2.05225
   A123       2.11925   0.00007  -0.00049   0.00074   0.00025   2.11950
   A124       2.11145  -0.00009   0.00057  -0.00063  -0.00006   2.11139
   A125       2.12026  -0.00003  -0.00007   0.00002  -0.00005   2.12021
   A126       2.07754   0.00000   0.00046   0.00078   0.00124   2.07878
   A127       2.08538   0.00002  -0.00040  -0.00081  -0.00121   2.08417
   A128       2.10471   0.00005   0.00008   0.00008   0.00016   2.10487
   A129       2.08731  -0.00006   0.00004   0.00006   0.00011   2.08741
   A130       2.09114   0.00001  -0.00013  -0.00014  -0.00027   2.09087
   A131       2.07877   0.00005   0.00012   0.00035   0.00047   2.07924
   A132       2.10119  -0.00007  -0.00012  -0.00083  -0.00095   2.10024
   A133       2.10321   0.00002  -0.00000   0.00047   0.00047   2.10368
   A134       2.08009   0.00006  -0.00010   0.00000  -0.00010   2.07999
   A135       2.10000  -0.00006  -0.00033  -0.00086  -0.00119   2.09881
   A136       2.10308  -0.00000   0.00043   0.00086   0.00128   2.10436
   A137       2.10388  -0.00002  -0.00022  -0.00012  -0.00034   2.10353
   A138       2.09186   0.00002   0.00036   0.00077   0.00113   2.09299
   A139       2.08744  -0.00000  -0.00014  -0.00066  -0.00080   2.08664
   A140       2.11886  -0.00001   0.00005   0.00009   0.00013   2.11898
   A141       2.08765  -0.00003   0.00053   0.00016   0.00067   2.08832
   A142       2.07665   0.00004  -0.00056  -0.00019  -0.00077   2.07588
   A143       2.05687  -0.00009   0.00032  -0.00051  -0.00019   2.05668
   A144       2.11935   0.00002   0.00109   0.00104   0.00212   2.12147
   A145       2.10692   0.00007  -0.00142  -0.00054  -0.00197   2.10495
   A146       2.05392  -0.00006   0.00042   0.00003   0.00045   2.05437
   A147       2.11834   0.00008  -0.00002   0.00021   0.00018   2.11852
   A148       2.11078  -0.00002  -0.00040  -0.00016  -0.00057   2.11021
   A149       2.12060  -0.00013  -0.00003  -0.00067  -0.00070   2.11990
   A150       2.07761   0.00002  -0.00039  -0.00087  -0.00126   2.07635
   A151       2.08495   0.00011   0.00042   0.00154   0.00197   2.08692
   A152       2.10366   0.00013  -0.00022   0.00057   0.00035   2.10401
   A153       2.08737  -0.00007   0.00024  -0.00026  -0.00002   2.08735
   A154       2.09215  -0.00006  -0.00002  -0.00032  -0.00033   2.09182
   A155       2.07920   0.00001   0.00011   0.00031   0.00042   2.07962
   A156       2.10042  -0.00004   0.00004  -0.00008  -0.00005   2.10037
   A157       2.10351   0.00004  -0.00016  -0.00020  -0.00036   2.10315
   A158       2.08003  -0.00002  -0.00016  -0.00039  -0.00055   2.07949
   A159       2.10011  -0.00000  -0.00014  -0.00044  -0.00058   2.09953
   A160       2.10298   0.00003   0.00029   0.00087   0.00116   2.10413
   A161       2.10401   0.00004   0.00001   0.00044   0.00044   2.10446
   A162       2.09190  -0.00002  -0.00020  -0.00070  -0.00090   2.09100
   A163       2.08726  -0.00002   0.00020   0.00026   0.00046   2.08772
   A164       2.11945  -0.00003   0.00008  -0.00006   0.00002   2.11947
   A165       2.08501   0.00005   0.00005   0.00011   0.00016   2.08518
   A166       2.07871  -0.00002  -0.00013  -0.00005  -0.00018   2.07853
   A167       2.05532  -0.00011  -0.00012  -0.00089  -0.00101   2.05431
   A168       2.11835  -0.00005   0.00014  -0.00004   0.00010   2.11845
   A169       2.10948   0.00015  -0.00002   0.00094   0.00092   2.11039
   A170       2.05464  -0.00014  -0.00024  -0.00137  -0.00160   2.05303
   A171       2.11979  -0.00004   0.00013  -0.00018  -0.00006   2.11974
   A172       2.10874   0.00017   0.00011   0.00155   0.00166   2.11039
   A173       2.12039  -0.00008   0.00015   0.00005   0.00020   2.12059
   A174       2.07753   0.00001  -0.00013  -0.00042  -0.00055   2.07699
   A175       2.08526   0.00007  -0.00002   0.00037   0.00034   2.08560
   A176       2.10358   0.00010  -0.00013   0.00033   0.00019   2.10377
   A177       2.08746  -0.00005   0.00003  -0.00018  -0.00015   2.08731
   A178       2.09213  -0.00006   0.00010  -0.00013  -0.00003   2.09210
   A179       2.07979  -0.00009   0.00007  -0.00003   0.00005   2.07984
   A180       2.10033   0.00001  -0.00018  -0.00077  -0.00096   2.09937
   A181       2.10304   0.00008   0.00010   0.00081   0.00092   2.10396
   A182       1.95066   0.00404   0.00004   0.03128   0.03157   1.98224
   A183       1.87649  -0.00661   0.01104  -0.03888  -0.02850   1.84799
   A184       1.73243   0.00040  -0.02035  -0.01425  -0.03513   1.69730
   A185       2.02195   0.00173  -0.00616   0.01538   0.00944   2.03139
   A186       2.05319  -0.00051   0.02240   0.00965   0.03224   2.08544
   A187       1.79911  -0.00008  -0.00922  -0.01368  -0.02370   1.77541
   A188       2.06928   0.00170  -0.00283   0.01829   0.01547   2.08474
   A189       2.23586  -0.00684  -0.02853  -0.05583  -0.08436   2.15151
   A190       1.90648  -0.00084  -0.00154  -0.00889  -0.01034   1.89614
   A191       1.90543  -0.00267   0.00101  -0.02245  -0.02137   1.88406
   A192       1.83816   0.00112   0.00255   0.00758   0.01013   1.84829
   A193       1.93526   0.00393  -0.00001   0.02020   0.02009   1.95535
   A194       1.95494  -0.00017  -0.00102   0.00414   0.00307   1.95801
   A195       1.92061  -0.00164  -0.00082  -0.00240  -0.00333   1.91727
   A196       1.89931   0.00009   0.00104   0.00252   0.00356   1.90287
   A197       1.94959   0.00008  -0.00002  -0.00141  -0.00143   1.94816
   A198       1.93313  -0.00030   0.00027  -0.00356  -0.00329   1.92984
   A199       1.89239  -0.00009  -0.00034  -0.00113  -0.00148   1.89092
   A200       1.88002   0.00029   0.00115   0.00619   0.00734   1.88736
   A201       1.90762  -0.00005  -0.00204  -0.00225  -0.00431   1.90331
   A202       1.90282   0.00071   0.00730   0.00957   0.01677   1.91959
   A203       1.85757  -0.00059  -0.01152  -0.01253  -0.02404   1.83353
   A204       1.90291   0.00025   0.00148   0.00715   0.00842   1.91133
   A205       1.94108   0.00035   0.00111   0.00360   0.00481   1.94589
   A206       1.95844  -0.00058   0.00358  -0.00251   0.00091   1.95935
   A207       1.89799  -0.00014  -0.00264  -0.00570  -0.00834   1.88965
   A208       1.91515   0.00008   0.00193   0.00200   0.00392   1.91907
   A209       1.94572  -0.00047   0.00002  -0.00619  -0.00617   1.93955
   A210       1.92303   0.00022   0.00022   0.00454   0.00475   1.92778
   A211       1.89610   0.00009  -0.00106  -0.00165  -0.00271   1.89339
   A212       1.88813  -0.00003  -0.00122   0.00013  -0.00111   1.88703
   A213       1.89453   0.00013   0.00004   0.00125   0.00130   1.89583
   A214       2.38003   0.00065   0.00668  -0.01739  -0.01071   2.36932
    D1        0.00335  -0.00004  -0.00342  -0.00345  -0.00684  -0.00349
    D2        3.10779   0.00023   0.00259   0.01251   0.01516   3.12296
    D3        3.13977  -0.00007  -0.00696  -0.00864  -0.01558   3.12419
    D4       -0.03897   0.00020  -0.00095   0.00732   0.00642  -0.03255
    D5       -0.05342   0.00019   0.00301   0.01239   0.01540  -0.03802
    D6        3.10575   0.00003  -0.00251  -0.00047  -0.00299   3.10275
    D7        3.09334   0.00023   0.00655   0.01759   0.02418   3.11753
    D8       -0.03067   0.00006   0.00103   0.00474   0.00579  -0.02488
    D9        2.22890   0.00015   0.02162   0.02505   0.04668   2.27558
   D10       -0.92718   0.00016   0.02069   0.02396   0.04466  -0.88252
   D11       -0.91788   0.00011   0.01806   0.01983   0.03788  -0.88000
   D12        2.20922   0.00012   0.01714   0.01874   0.03587   2.24509
   D13        0.07094  -0.00027   0.00059  -0.01254  -0.01195   0.05899
   D14       -2.97738  -0.00027   0.00986  -0.00604   0.00392  -2.97346
   D15       -3.03308  -0.00053  -0.00563  -0.02859  -0.03421  -3.06729
   D16        0.20178  -0.00053   0.00363  -0.02209  -0.01834   0.18344
   D17       -0.09575   0.00041   0.00273   0.01967   0.02233  -0.07342
   D18        2.95926   0.00083   0.00009   0.04347   0.04365   3.00292
   D19        2.95774   0.00039  -0.00601   0.01291   0.00670   2.96444
   D20       -0.27043   0.00081  -0.00864   0.03672   0.02802  -0.24241
   D21       -2.83085  -0.00136  -0.00006  -0.06285  -0.06288  -2.89373
   D22        0.43847  -0.00123   0.00685  -0.06771  -0.06081   0.37766
   D23        0.40241  -0.00131   0.00890  -0.05602  -0.04701   0.35540
   D24       -2.61146  -0.00117   0.01581  -0.06088  -0.04493  -2.65639
   D25        0.04661  -0.00021  -0.00325  -0.01069  -0.01388   0.03273
   D26       -3.11192  -0.00006  -0.00115  -0.00339  -0.00451  -3.11642
   D27       -3.00776  -0.00066  -0.00044  -0.03503  -0.03550  -3.04326
   D28        0.11690  -0.00051   0.00166  -0.02773  -0.02612   0.09077
   D29       -0.30014  -0.00003  -0.01190  -0.00469  -0.01696  -0.31710
   D30        2.91023  -0.00010  -0.00937  -0.01959  -0.02937   2.88086
   D31        2.75438   0.00040  -0.01470   0.01937   0.00444   2.75882
   D32       -0.31844   0.00033  -0.01217   0.00446  -0.00797  -0.32641
   D33        0.02827  -0.00008   0.00029  -0.00531  -0.00505   0.02322
   D34       -3.13107   0.00008   0.00588   0.00764   0.01352  -3.11755
   D35       -3.09605  -0.00022  -0.00185  -0.01272  -0.01459  -3.11064
   D36        0.02780  -0.00006   0.00373   0.00023   0.00397   0.03178
   D37        0.05735   0.00078   0.01288   0.04022   0.05321   0.11055
   D38       -2.91914   0.00040   0.01242   0.01052   0.02294  -2.89620
   D39        3.07162   0.00075   0.00569   0.04569   0.05144   3.12306
   D40        0.09514   0.00037   0.00523   0.01599   0.02118   0.11631
   D41        2.98516  -0.00043  -0.00962  -0.01073  -0.02036   2.96480
   D42       -0.11255  -0.00056  -0.01058  -0.02375  -0.03433  -0.14688
   D43       -0.02916  -0.00034  -0.00266  -0.01626  -0.01888  -0.04805
   D44       -3.12688  -0.00046  -0.00362  -0.02929  -0.03286   3.12345
   D45       -0.60675   0.00032  -0.03021  -0.00645  -0.03640  -0.64316
   D46       -3.10561   0.00052   0.02205   0.01655   0.03791  -3.06769
   D47        2.36161   0.00079  -0.03027   0.02556  -0.00438   2.35723
   D48       -0.13724   0.00099   0.02199   0.04856   0.06993  -0.06731
   D49       -0.09224  -0.00008  -0.00382  -0.00052  -0.00426  -0.09651
   D50        2.98304   0.00011   0.00565   0.01859   0.02425   3.00729
   D51       -3.06138  -0.00046  -0.00339  -0.03182  -0.03539  -3.09678
   D52        0.01390  -0.00028   0.00608  -0.01272  -0.00688   0.00702
   D53        0.72600  -0.00050   0.02955  -0.01192   0.01752   0.74353
   D54       -2.48781  -0.00044   0.02676   0.00373   0.03041  -2.45739
   D55       -3.03412  -0.00004  -0.02083  -0.03731  -0.05801  -3.09213
   D56        0.03526   0.00002  -0.02362  -0.02166  -0.04512  -0.00986
   D57        2.47334   0.00049  -0.04897  -0.00593  -0.05410   2.41924
   D58       -0.92736  -0.00082  -0.03206  -0.04915  -0.08058  -1.00795
   D59        0.00197   0.00033   0.00614   0.01608   0.02201   0.02398
   D60        2.88445  -0.00098   0.02305  -0.02713  -0.00447   2.87998
   D61        3.05774  -0.00040   0.01679   0.02115   0.03834   3.09608
   D62       -0.00966  -0.00048   0.01986   0.00498   0.02518   0.01552
   D63       -0.04324   0.00004  -0.00139   0.00105  -0.00030  -0.04354
   D64       -3.13208  -0.00009  -0.00290  -0.00692  -0.00978   3.14133
   D65        3.05474   0.00019  -0.00054   0.01414   0.01363   3.06836
   D66       -0.03410   0.00006  -0.00204   0.00617   0.00415  -0.02995
   D67        0.04755   0.00028   0.00281   0.01470   0.01750   0.06504
   D68       -3.05836   0.00011  -0.00218   0.00320   0.00095  -3.05741
   D69        3.13642   0.00038   0.00426   0.02241   0.02672  -3.12004
   D70        0.03051   0.00021  -0.00072   0.01091   0.01017   0.04069
   D71       -2.26284  -0.00010   0.00404  -0.00471  -0.00066  -2.26350
   D72        0.92325  -0.00045   0.00547  -0.02127  -0.01579   0.90746
   D73        0.93221  -0.00023   0.00258  -0.01274  -0.01017   0.92204
   D74       -2.16488  -0.00057   0.00401  -0.02930  -0.02530  -2.19019
   D75        0.02113  -0.00026  -0.00016  -0.01524  -0.01544   0.00569
   D76       -3.05620  -0.00041  -0.00940  -0.03327  -0.04282  -3.09902
   D77        3.12691  -0.00010   0.00485  -0.00371   0.00115   3.12807
   D78        0.04959  -0.00025  -0.00439  -0.02175  -0.02623   0.02336
   D79       -0.05984  -0.00018   0.01208   0.00360   0.01569  -0.04415
   D80        3.13806  -0.00039   0.01031  -0.00934   0.00090   3.13896
   D81       -2.94065   0.00051  -0.00606   0.04647   0.04053  -2.90011
   D82        0.25725   0.00029  -0.00784   0.03353   0.02575   0.28300
   D83        0.04514   0.00111   0.00671   0.04463   0.05130   0.09644
   D84       -2.19222   0.00098   0.00634   0.03176   0.03844  -2.15378
   D85        2.22392   0.00267   0.02091   0.06235   0.08290   2.30682
   D86        2.92642  -0.00011   0.02505   0.00184   0.02689   2.95331
   D87        0.68906  -0.00025   0.02468  -0.01103   0.01404   0.70309
   D88       -1.17798   0.00145   0.03924   0.01956   0.05849  -1.11949
   D89        0.08919  -0.00019  -0.01669  -0.02123  -0.03808   0.05111
   D90       -3.06666  -0.00001  -0.01235  -0.01052  -0.02294  -3.08961
   D91       -3.10559   0.00002  -0.01515  -0.00893  -0.02415  -3.12974
   D92        0.02174   0.00021  -0.01081   0.00178  -0.00901   0.01272
   D93        3.08399   0.00012   0.01059   0.01263   0.02322   3.10721
   D94       -0.10999   0.00047   0.01783   0.03233   0.05016  -0.05984
   D95       -0.00174  -0.00013   0.00880  -0.00034   0.00844   0.00670
   D96        3.08746   0.00022   0.01604   0.01936   0.03538   3.12284
   D97       -0.05389   0.00058   0.00041   0.01687   0.01732  -0.03657
   D98        3.10147   0.00040  -0.00380   0.00649   0.00271   3.10418
   D99       -0.02133  -0.00017   0.00502  -0.00379   0.00120  -0.02013
   D100       3.11530  -0.00006   0.00354  -0.00044   0.00307   3.11838
   D101       3.10674   0.00001   0.00912   0.00641   0.01554   3.12229
   D102      -0.03981   0.00012   0.00764   0.00975   0.01742  -0.02239
   D103      -0.01927   0.00001  -0.00089   0.00085  -0.00005  -0.01932
   D104       3.10534   0.00021   0.00116   0.00978   0.01096   3.11630
   D105      -3.11040  -0.00030  -0.00790  -0.01802  -0.02595  -3.13636
   D106       0.01421  -0.00010  -0.00586  -0.00909  -0.01495  -0.00073
   D107       0.01987   0.00003  -0.00517  -0.00273  -0.00789   0.01197
   D108      -3.13356  -0.00001  -0.00372  -0.00464  -0.00836   3.14127
   D109      -3.10470  -0.00017  -0.00722  -0.01173  -0.01895  -3.12365
   D110       0.02506  -0.00021  -0.00577  -0.01364  -0.01941   0.00565
   D111       0.00035   0.00006   0.00308   0.00420   0.00728   0.00763
   D112      -3.13609  -0.00006   0.00461   0.00073   0.00534  -3.13075
   D113      -3.12937   0.00010   0.00161   0.00612   0.00774  -3.12163
   D114       0.01737  -0.00001   0.00315   0.00265   0.00580   0.02317
   D115      -2.16165  -0.00012  -0.00086  -0.01384  -0.01470  -2.17635
   D116       0.92186   0.00011  -0.00808  -0.00462  -0.01270   0.90916
   D117       0.96781  -0.00016   0.00062  -0.01580  -0.01517   0.95264
   D118      -2.23186   0.00007  -0.00659  -0.00659  -0.01318  -2.24503
   D119       3.12725   0.00006   0.00107   0.00256   0.00362   3.13087
   D120      -0.04847   0.00001  -0.00273  -0.00389  -0.00663  -0.05510
   D121      -0.00199   0.00006   0.00187   0.00352   0.00538   0.00339
   D122       3.10548   0.00001  -0.00193  -0.00293  -0.00487   3.10061
   D123      -3.12532  -0.00007  -0.00075  -0.00250  -0.00326  -3.12858
   D124      -0.00831  -0.00019  -0.00541  -0.01359  -0.01902  -0.02733
   D125       0.00389  -0.00006  -0.00153  -0.00340  -0.00493  -0.00105
   D126       3.12089  -0.00018  -0.00619  -0.01449  -0.02069   3.10020
   D127      -3.11477  -0.00015   0.00115  -0.00721  -0.00609  -3.12086
   D128       0.06132  -0.00007   0.00053  -0.00226  -0.00175   0.05957
   D129      -0.01101   0.00012  -0.00008   0.00676   0.00669  -0.00432
   D130      -3.11810   0.00020  -0.00069   0.01171   0.01103  -3.10707
   D131       3.11288   0.00018  -0.00045   0.00824   0.00775   3.12063
   D132       0.01816   0.00006  -0.00246   0.00402   0.00153   0.01969
   D133       0.00951  -0.00012   0.00077  -0.00609  -0.00531   0.00419
   D134      -3.08521  -0.00025  -0.00124  -0.01031  -0.01154  -3.09675
   D135       3.09793   0.00011  -0.00472   0.00509   0.00037   3.09830
   D136      -0.01316   0.00006  -0.00291   0.00700   0.00408  -0.00908
   D137       0.00601  -0.00008   0.00142  -0.00283  -0.00141   0.00461
   D138      -3.10508  -0.00013   0.00323  -0.00092   0.00230  -3.10277
   D139      -3.10011  -0.00011   0.00490  -0.00448   0.00042  -3.09969
   D140       0.07411  -0.00011   0.00663  -0.00220   0.00443   0.07853
   D141      -0.00811   0.00008  -0.00127   0.00336   0.00210  -0.00602
   D142      -3.11709   0.00008   0.00046   0.00565   0.00610  -3.11099
   D143       0.00817  -0.00007  -0.00063  -0.00477  -0.00541   0.00276
   D144      -3.12628   0.00000   0.00082   0.00095   0.00177  -3.12451
   D145       3.11840  -0.00014  -0.00009  -0.00925  -0.00935   3.10905
   D146      -0.01605  -0.00006   0.00136  -0.00353  -0.00217  -0.01822
   D147       3.12083  -0.00005   0.00001  -0.00229  -0.00228   3.11855
   D148      -0.01159  -0.00002  -0.00069  -0.00087  -0.00156  -0.01315
   D149       0.01758   0.00004  -0.00067   0.00324   0.00258   0.02016
   D150      -3.11484   0.00007  -0.00137   0.00466   0.00330  -3.11154
   D151      -0.00231  -0.00001   0.00109   0.00102   0.00212  -0.00019
   D152       3.11159   0.00017   0.00017   0.00721   0.00739   3.11898
   D153       3.13070  -0.00009  -0.00066  -0.00585  -0.00652   3.12418
   D154      -0.03859   0.00008  -0.00159   0.00034  -0.00125  -0.03983
   D155       0.00281   0.00003  -0.00111   0.00096  -0.00014   0.00267
   D156       3.14068  -0.00001  -0.00121  -0.00168  -0.00289   3.13779
   D157      -3.12934   0.00013   0.00082   0.00851   0.00934  -3.12000
   D158       0.00853   0.00008   0.00071   0.00587   0.00658   0.01512
   D159      -0.00438   0.00008  -0.00115   0.00309   0.00193  -0.00244
   D160       3.09490   0.00017   0.00067   0.00680   0.00746   3.10237
   D161      -3.12285  -0.00007  -0.00039  -0.00212  -0.00251  -3.12536
   D162      -0.02357   0.00002   0.00143   0.00159   0.00302  -0.02054
   D163      -3.10321  -0.00022  -0.00091  -0.00966  -0.01057  -3.11378
   D164       0.03496  -0.00023   0.00118  -0.00834  -0.00716   0.02780
   D165       0.00793  -0.00003  -0.00192  -0.00283  -0.00476   0.00317
   D166      -3.13709  -0.00004   0.00017  -0.00152  -0.00134  -3.13844
   D167       3.11202   0.00011   0.00249   0.00499   0.00748   3.11950
   D168      -0.02496   0.00024   0.00155   0.00993   0.01147  -0.01350
   D169       0.02245  -0.00002   0.00026   0.00036   0.00062   0.02307
   D170      -3.11454   0.00012  -0.00069   0.00530   0.00461  -3.10993
   D171      -0.00062  -0.00003  -0.00147  -0.00227  -0.00373  -0.00435
   D172      -3.14139  -0.00019  -0.00011  -0.00784  -0.00795   3.13384
   D173      -3.11131   0.00002   0.00195   0.00358   0.00552  -3.10579
   D174       0.03111  -0.00014   0.00330  -0.00200   0.00130   0.03241
   D175      -3.13070   0.00016   0.00133   0.00790   0.00924  -3.12146
   D176      -0.00707   0.00027   0.00129   0.01234   0.01364   0.00657
   D177      -0.02698   0.00009  -0.00288   0.00070  -0.00217  -0.02915
   D178       3.09666   0.00020  -0.00292   0.00514   0.00222   3.09888
   D179       0.00295  -0.00000   0.00053   0.00018   0.00070   0.00365
   D180      -3.13823   0.00010   0.00114   0.00627   0.00740  -3.13082
   D181      -3.13963   0.00018  -0.00110   0.00687   0.00576  -3.13387
   D182       0.00238   0.00029  -0.00049   0.01296   0.01246   0.01484
   D183      -0.01291   0.00008  -0.00153   0.00171   0.00019  -0.01273
   D184       3.14051   0.00001  -0.00089  -0.00069  -0.00158   3.13892
   D185       3.12976  -0.00012   0.00026  -0.00564  -0.00537   3.12439
   D186      -0.00000  -0.00020   0.00090  -0.00805  -0.00714  -0.00715
   D187      -0.00422   0.00004   0.00061   0.00197   0.00259  -0.00163
   D188      -3.12362   0.00015   0.00479   0.01199   0.01678  -3.10684
   D189       3.13702  -0.00005   0.00009  -0.00311  -0.00301   3.13401
   D190       0.01762   0.00007   0.00428   0.00691   0.01118   0.02880
   D191       3.13485  -0.00012  -0.00339  -0.00927  -0.01265   3.12220
   D192      -0.00167  -0.00013  -0.00147  -0.00849  -0.00996  -0.01163
   D193      -0.00628  -0.00001  -0.00271  -0.00257  -0.00528  -0.01156
   D194       3.14038  -0.00002  -0.00080  -0.00179  -0.00259   3.13779
   D195      -3.13057   0.00006   0.00248   0.00611   0.00860  -3.12197
   D196       0.00177   0.00008  -0.00005   0.00450   0.00444   0.00621
   D197      -0.01624  -0.00008  -0.00268  -0.00621  -0.00887  -0.02511
   D198       3.11610  -0.00007  -0.00521  -0.00782  -0.01303   3.10307
   D199      -0.00165   0.00004  -0.00102   0.00120   0.00019  -0.00146
   D200      -3.13950   0.00010  -0.00062   0.00467   0.00405  -3.13546
   D201       3.11237   0.00008  -0.00266  -0.00060  -0.00326   3.10911
   D202      -0.02549   0.00014  -0.00227   0.00287   0.00059  -0.02489
   D203       3.12751  -0.00002  -0.00043  -0.00265  -0.00308   3.12443
   D204      -0.00821  -0.00005   0.00057  -0.00303  -0.00246  -0.01068
   D205       0.01977  -0.00007   0.00158  -0.00047   0.00111   0.02088
   D206      -3.11596  -0.00010   0.00258  -0.00086   0.00172  -3.11423
   D207      -0.00326   0.00001   0.00024   0.00084   0.00107  -0.00218
   D208      -3.14035  -0.00020   0.00198  -0.00700  -0.00502   3.13781
   D209       3.13385  -0.00006  -0.00024  -0.00332  -0.00357   3.13029
   D210      -0.00324  -0.00027   0.00150  -0.01116  -0.00966  -0.01290
   D211       0.01317  -0.00011   0.00132  -0.00359  -0.00227   0.01090
   D212      -3.13603  -0.00005   0.00072  -0.00155  -0.00083  -3.13686
   D213      -3.12349  -0.00004   0.00184   0.00098   0.00282  -3.12067
   D214       0.01049   0.00003   0.00124   0.00302   0.00426   0.01475
   D215       0.00699  -0.00006   0.00063  -0.00258  -0.00195   0.00505
   D216       3.11909  -0.00006  -0.00094  -0.00471  -0.00565   3.11343
   D217      -3.13835   0.00012  -0.00082   0.00395   0.00313  -3.13522
   D218      -0.02626   0.00011  -0.00238   0.00182  -0.00057  -0.02683
   D219      -3.13555   0.00016  -0.00048   0.00710   0.00663  -3.12892
   D220      -0.00577   0.00026  -0.00084   0.01077   0.00993   0.00416
   D221       0.01100  -0.00008   0.00144  -0.00151  -0.00007   0.01092
   D222       3.14077   0.00002   0.00107   0.00215   0.00322  -3.13919
   D223       3.12859  -0.00007  -0.00012  -0.00354  -0.00365   3.12494
   D224      -0.00314  -0.00009   0.00016  -0.00401  -0.00385  -0.00700
   D225       0.02319  -0.00007   0.00179  -0.00097   0.00083   0.02402
   D226      -3.10854  -0.00009   0.00207  -0.00144   0.00063  -3.10791
   D227       0.00775   0.00002   0.00078   0.00214   0.00293   0.01068
   D228       3.14100   0.00004   0.00089   0.00279   0.00368  -3.13851
   D229      -3.13041   0.00003  -0.00132   0.00082  -0.00050  -3.13090
   D230       0.00284   0.00006  -0.00121   0.00147   0.00026   0.00310
   D231      -0.00866  -0.00001   0.00094  -0.00017   0.00077  -0.00789
   D232       3.12139   0.00009   0.00183   0.00498   0.00681   3.12820
   D233       3.14126  -0.00004   0.00083  -0.00082   0.00002   3.14127
   D234      -0.01188   0.00006   0.00171   0.00434   0.00606  -0.00582
   D235      -0.00642   0.00002  -0.00144  -0.00106  -0.00250  -0.00892
   D236       3.13060  -0.00012  -0.00050  -0.00596  -0.00647   3.12413
   D237      -3.13653  -0.00008  -0.00232  -0.00620  -0.00852   3.13814
   D238       0.00049  -0.00022  -0.00138  -0.01110  -0.01249  -0.01199
   D239      -0.00644   0.00000  -0.00025  -0.00048  -0.00073  -0.00717
   D240       3.13881   0.00004   0.00033   0.00185   0.00218   3.14099
   D241       3.12602  -0.00002   0.00044  -0.00189  -0.00144   3.12458
   D242      -0.01191   0.00001   0.00102   0.00045   0.00147  -0.01045
   D243      -0.00634  -0.00003   0.00048  -0.00200  -0.00152  -0.00787
   D244      -3.13905  -0.00004   0.00044  -0.00147  -0.00103  -3.14008
   D245       3.13158  -0.00006  -0.00010  -0.00434  -0.00444   3.12714
   D246      -0.00113  -0.00008  -0.00014  -0.00381  -0.00395  -0.00508
   D247       0.00807   0.00001   0.00021   0.00173   0.00194   0.01002
   D248      -3.12979   0.00006   0.00032   0.00438   0.00470  -3.12509
   D249       3.14076   0.00002   0.00026   0.00119   0.00145  -3.14097
   D250       0.00290   0.00007   0.00037   0.00384   0.00421   0.00711
   D251      -0.00567  -0.00003  -0.00030  -0.00216  -0.00246  -0.00814
   D252       3.14049  -0.00003   0.00126  -0.00081   0.00045   3.14094
   D253       3.13083  -0.00002  -0.00222  -0.00295  -0.00517   3.12567
   D254      -0.00619  -0.00002  -0.00066  -0.00159  -0.00225  -0.00844
   D255       0.00694   0.00002   0.00192   0.00282   0.00473   0.01167
   D256       3.14021   0.00016   0.00401   0.01123   0.01525  -3.12773
   D257      -3.13921   0.00002   0.00036   0.00147   0.00182  -3.13739
   D258      -0.00594   0.00016   0.00246   0.00988   0.01234   0.00641
   D259       0.00402   0.00003  -0.00041   0.00137   0.00096   0.00499
   D260      -3.12838   0.00002   0.00210   0.00296   0.00506  -3.12332
   D261      -3.12930  -0.00011  -0.00250  -0.00700  -0.00949  -3.13879
   D262       0.02148  -0.00012   0.00001  -0.00541  -0.00540   0.01609
   D263       0.00558  -0.00000   0.00077   0.00083   0.00160   0.00718
   D264       3.14011   0.00003   0.00080   0.00210   0.00289  -3.14018
   D265      -3.11814  -0.00011   0.00081  -0.00360  -0.00278  -3.12092
   D266       0.01639  -0.00008   0.00083  -0.00233  -0.00149   0.01490
   D267       0.01190  -0.00005   0.00093  -0.00110  -0.00017   0.01173
   D268      -3.13386  -0.00009   0.00113  -0.00259  -0.00146  -3.13532
   D269      -3.12260  -0.00009   0.00091  -0.00236  -0.00145  -3.12406
   D270       0.01482  -0.00012   0.00111  -0.00386  -0.00274   0.01208
   D271      -0.00797   0.00001  -0.00053  -0.00021  -0.00074  -0.00872
   D272       3.12177   0.00009  -0.00117   0.00220   0.00103   3.12280
   D273       3.13780   0.00004  -0.00074   0.00129   0.00055   3.13835
   D274      -0.01564   0.00012  -0.00137   0.00370   0.00232  -0.01332
   D275       0.00615   0.00000  -0.00000   0.00040   0.00040   0.00655
   D276      -3.13992  -0.00001   0.00109   0.00104   0.00213  -3.13779
   D277      -3.12361  -0.00010   0.00036  -0.00326  -0.00290  -3.12650
   D278       0.01351  -0.00011   0.00145  -0.00262  -0.00117   0.01234
   D279      -0.00903   0.00003  -0.00057   0.00045  -0.00013  -0.00916
   D280       3.12835   0.00002  -0.00032   0.00048   0.00015   3.12851
   D281       3.13703   0.00004  -0.00166  -0.00019  -0.00185   3.13518
   D282      -0.00878   0.00003  -0.00141  -0.00016  -0.00157  -0.01034
   D283      -0.00562   0.00000  -0.00032  -0.00015  -0.00047  -0.00609
   D284       3.12616   0.00002  -0.00059   0.00032  -0.00027   3.12589
   D285       3.14016   0.00001  -0.00057  -0.00018  -0.00075   3.13941
   D286      -0.01124   0.00003  -0.00084   0.00028  -0.00055  -0.01179
   D287      -0.00243  -0.00001  -0.00000  -0.00115  -0.00115  -0.00358
   D288       3.13956   0.00000   0.00093   0.00080   0.00173   3.14129
   D289       3.13334   0.00001  -0.00099  -0.00078  -0.00177   3.13157
   D290      -0.00786   0.00003  -0.00006   0.00117   0.00111  -0.00675
   D291      -0.00935   0.00004  -0.00090   0.00042  -0.00047  -0.00982
   D292       3.13799  -0.00002  -0.00112  -0.00163  -0.00276   3.13524
   D293       3.13185   0.00002  -0.00183  -0.00154  -0.00337   3.12848
   D294      -0.00399  -0.00004  -0.00206  -0.00359  -0.00565  -0.00964
   D295       0.00374   0.00003   0.00021   0.00198   0.00219   0.00593
   D296      -3.13023  -0.00004   0.00081  -0.00005   0.00076  -3.12947
   D297       3.13956   0.00008   0.00043   0.00405   0.00448  -3.13914
   D298       0.00559   0.00002   0.00104   0.00201   0.00305   0.00864
   D299       1.59838   0.00262  -0.02779   0.05845   0.03036   1.62874
   D300      -0.59723   0.00139  -0.03243   0.03742   0.00497  -0.59227
   D301      -2.86486   0.00091  -0.05000   0.02511  -0.02457  -2.88943
   D302       2.45543  -0.00223   0.17260   0.11549   0.28872   2.74415
   D303      -1.72238   0.00278   0.16992   0.14887   0.31872  -1.40366
   D304       0.52606   0.00467   0.16997   0.16465   0.33406   0.86012
   D305      -2.24327   0.00116   0.00262  -0.01156  -0.00905  -2.25232
   D306      -0.12445   0.00381   0.00227  -0.00623  -0.00384  -0.12830
   D307       1.93729   0.00117   0.00318  -0.01609  -0.01293   1.92436
   D308       2.15174  -0.00027  -0.08610  -0.01115  -0.09709   2.05465
   D309      -2.03617   0.00019  -0.08732  -0.00883  -0.09624  -2.13241
   D310       0.00828  -0.00015  -0.09594  -0.01864  -0.11464  -0.10636
   D311      -3.11592  -0.00050  -0.00122   0.01097   0.00974  -3.10619
   D312      -1.02719  -0.00052  -0.00098   0.01034   0.00934  -1.01785
   D313       1.10372  -0.00074  -0.00342   0.00396   0.00053   1.10424
   D314       1.06663   0.00089  -0.00146   0.03191   0.03050   1.09713
   D315      -3.12782   0.00088  -0.00122   0.03127   0.03010  -3.09772
   D316      -0.99692   0.00066  -0.00366   0.02489   0.02129  -0.97562
   D317      -1.08637   0.00025   0.00036   0.01718   0.01751  -1.06886
   D318       1.00236   0.00024   0.00060   0.01655   0.01711   1.01947
   D319       3.13327   0.00002  -0.00184   0.01017   0.00830   3.14157
   D320      -1.07546   0.00122   0.01591  -0.00236   0.01364  -1.06182
   D321       1.02579   0.00091   0.01464  -0.01524  -0.00066   1.02514
   D322      -3.08477   0.00230   0.01273   0.00259   0.01528  -3.06949
   D323       2.91886   0.00037  -0.00879   0.05902   0.05020   2.96906
   D324      -1.26297   0.00023  -0.00882   0.05428   0.04543  -1.21755
   D325       0.84169   0.00023  -0.00861   0.05483   0.04618   0.88787
   D326       0.87592   0.00045   0.00016   0.06637   0.06652   0.94244
   D327       2.97727   0.00031   0.00012   0.06163   0.06174   3.03902
   D328      -1.20125   0.00031   0.00033   0.06218   0.06250  -1.13875
   D329      -1.25451   0.00079   0.00022   0.07292   0.07319  -1.18132
   D330       0.84684   0.00065   0.00019   0.06818   0.06841   0.91525
   D331       2.95151   0.00065   0.00040   0.06873   0.06916   3.02067
         Item               Value     Threshold  Converged?
 Maximum Force            0.006841     0.000450     NO 
 RMS     Force            0.000778     0.000300     NO 
 Maximum Displacement     0.729358     0.001800     NO 
 RMS     Displacement     0.132825     0.001200     NO 
 Predicted change in Energy=-3.432580D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.694592    3.199639    0.093655
      2          6           0       -2.823422    1.820743    0.284823
      3          6           0       -1.703470    0.985640    0.220900
      4          6           0       -0.427142    1.556236    0.032249
      5          6           0       -0.307311    2.936248   -0.176439
      6          6           0       -1.429047    3.753150   -0.160829
      7          6           0       -1.806138   -0.485535    0.208064
      8          6           0       -0.659173   -1.282253    0.443916
      9          6           0        0.608392   -0.598830    0.844295
     10          6           0        0.775434    0.712374    0.137873
     11          6           0       -2.999076   -1.099338   -0.189591
     12          6           0       -3.065501   -2.475581   -0.413299
     13          6           0       -1.901935   -3.243608   -0.286229
     14          6           0       -0.720819   -2.647592    0.133187
     15          7           0        1.779847   -1.370659    0.994123
     16          6           0        3.019302   -0.865665    0.509818
     17          6           0        3.035554    0.379417   -0.160564
     18          7           0        1.901652    1.154380   -0.312347
     19          6           0        4.232284   -1.566306    0.620512
     20          6           0        5.407004   -1.045115    0.094392
     21          6           0        5.418825    0.184366   -0.583851
     22          6           0        4.225043    0.883469   -0.707676
     23          7           0       -3.839826    4.029572    0.140281
     24          7           0       -4.284410   -3.073048   -0.814816
     25          7           0        6.624012    0.703783   -1.114756
     26          6           0       -4.878609   -4.195878   -0.220319
     27          6           0       -6.072188   -4.506729   -0.918316
     28          6           0       -6.204280   -3.533127   -1.982616
     29          6           0       -5.085660   -2.666340   -1.891529
     30          6           0       -3.973428    5.209886    0.888469
     31          6           0       -5.260702    5.755924    0.657083
     32          6           0       -5.933307    4.874193   -0.273687
     33          6           0       -5.032474    3.821295   -0.570791
     34          6           0        7.166572    1.967377   -0.834792
     35          6           0        8.405944    2.093752   -1.510871
     36          6           0        8.624000    0.854781   -2.228448
     37          6           0        7.510086    0.020580   -1.959125
     38          6           0       -7.145149   -3.339482   -2.999840
     39          6           0       -6.960903   -2.299165   -3.906254
     40          6           0       -5.838399   -1.460297   -3.811360
     41          6           0       -4.884233   -1.632851   -2.810488
     42          6           0       -4.470923   -4.925579    0.899733
     43          6           0       -5.269788   -5.994805    1.298854
     44          6           0       -6.448454   -6.327301    0.609981
     45          6           0       -6.857356   -5.584841   -0.493513
     46          6           0       -7.197470    4.893316   -0.874076
     47          6           0       -7.540551    3.881221   -1.765045
     48          6           0       -6.627662    2.857158   -2.067506
     49          6           0       -5.364733    2.813335   -1.480278
     50          6           0       -3.077021    5.803623    1.781182
     51          6           0       -3.476720    6.977920    2.415634
     52          6           0       -4.738889    7.546525    2.177959
     53          6           0       -5.635687    6.938163    1.305122
     54          6           0        9.647880    0.390350   -3.061786
     55          6           0        9.543385   -0.880239   -3.620521
     56          6           0        8.422357   -1.685474   -3.359804
     57          6           0        7.390456   -1.248514   -2.531570
     58          6           0        6.673488    2.982769   -0.011473
     59          6           0        7.432368    4.144942    0.105965
     60          6           0        8.653370    4.296255   -0.572810
     61          6           0        9.145792    3.274243   -1.378330
     62          8           0        0.469995   -2.973426    2.746459
     63         15           0        1.784906   -2.714309    2.136048
     64          8           0        2.997050   -2.426067    3.148179
     65          8           0        2.428103   -3.804724    1.161420
     66          6           0        2.732728   -1.707479    4.412699
     67          6           0        3.717415   -0.562458    4.533957
     68          6           0        3.126372   -4.990320    1.638864
     69          6           0        2.396898   -6.242668    1.180591
     70          1           0       -3.801193    1.406128    0.497758
     71          1           0        0.679827    3.351831   -0.342923
     72          1           0       -1.338449    4.817889   -0.344444
     73          1           0       -3.883878   -0.497361   -0.355071
     74          1           0       -1.922720   -4.298827   -0.533107
     75          1           0        0.167507   -3.261503    0.181646
     76          1           0        4.288916   -2.511625    1.134381
     77          1           0        6.333850   -1.595395    0.214352
     78          1           0        4.174728    1.831740   -1.229453
     79          1           0       -8.008253   -3.994206   -3.079510
     80          1           0       -7.685577   -2.137306   -4.697903
     81          1           0       -5.704324   -0.661500   -4.534642
     82          1           0       -4.013018   -0.989799   -2.755804
     83          1           0       -3.571931   -4.666730    1.446292
     84          1           0       -4.975844   -6.579057    2.165792
     85          1           0       -7.048851   -7.166013    0.948382
     86          1           0       -7.776695   -5.833438   -1.015949
     87          1           0       -7.896990    5.693268   -0.651003
     88          1           0       -8.518098    3.883851   -2.237202
     89          1           0       -6.905504    2.081355   -2.774802
     90          1           0       -4.664185    2.026410   -1.735888
     91          1           0       -2.108174    5.362221    1.985676
     92          1           0       -2.795578    7.457293    3.112427
     93          1           0       -5.016867    8.465609    2.684418
     94          1           0       -6.618144    7.369174    1.135228
     95          1           0       10.508111    1.018142   -3.274753
     96          1           0       10.333076   -1.252623   -4.265663
     97          1           0        8.353551   -2.669111   -3.814940
     98          1           0        6.521892   -1.871426   -2.347560
     99          1           0        5.737056    2.872406    0.523908
    100          1           0        7.069846    4.948726    0.740000
    101          1           0        9.216712    5.217579   -0.463716
    102          1           0       10.095177    3.386627   -1.894254
    103          1           0        1.701134   -1.358704    4.391243
    104          1           0        2.858355   -2.445743    5.208429
    105          1           0        3.550842   -0.047580    5.486265
    106          1           0        4.751557   -0.916295    4.510459
    107          1           0        3.568769    0.159029    3.726537
    108          1           0        4.127337   -4.926391    1.200826
    109          1           0        3.224509   -4.942988    2.725073
    110          1           0        3.008560   -7.127193    1.385018
    111          1           0        1.441681   -6.354415    1.699778
    112          1           0        2.206841   -6.201981    0.104780
    113         17           0        0.255195    0.288529    2.829790
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0352706           0.0181672           0.0142157
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10689.7649353336 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.69D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    0.999951   -0.009700   -0.001635   -0.000534 Ang=  -1.13 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48295405     A.U. after   13 cycles
            NFock= 13  Conv=0.48D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000418105   -0.000690249    0.000152484
      2        6           0.000572196    0.001143072   -0.000907018
      3        6           0.001401528   -0.000932848   -0.000857354
      4        6           0.001053273   -0.000392778    0.002978576
      5        6          -0.000374727    0.000010413    0.000056491
      6        6           0.000266567   -0.000057560   -0.000557148
      7        6          -0.001149379    0.000966581    0.000108536
      8        6           0.000868613    0.001831862   -0.000289750
      9        6          -0.000027018    0.001306909   -0.000483402
     10        6          -0.000955987    0.000168601   -0.000307839
     11        6           0.000512327   -0.000503915    0.000924991
     12        6          -0.001094448    0.000473541    0.000054372
     13        6           0.000032053   -0.000451130    0.000621999
     14        6           0.000124191   -0.001261301    0.001701666
     15        7          -0.000910672    0.000599914   -0.002359870
     16        6           0.000915485   -0.000767693    0.000178881
     17        6          -0.001409364    0.000640872    0.001575146
     18        7          -0.000963917   -0.000325799   -0.000545638
     19        6           0.002200581    0.001177992   -0.000367845
     20        6           0.000013822    0.000539760   -0.000402091
     21        6          -0.000767141   -0.000066120    0.000141377
     22        6           0.000874641   -0.000238152   -0.000219788
     23        7          -0.000732620    0.000388153   -0.000137858
     24        7           0.000984267   -0.000063320   -0.000538094
     25        7           0.001832121    0.000663739   -0.000108789
     26        6           0.000344569    0.000042953   -0.000117321
     27        6          -0.000148259    0.000086261    0.000576308
     28        6           0.000489771   -0.000074062   -0.000431791
     29        6          -0.000014895   -0.000206403    0.000372699
     30        6          -0.000101100   -0.000890447   -0.000043446
     31        6           0.000410107    0.000799180   -0.000473175
     32        6          -0.000535700   -0.000415956    0.000436286
     33        6           0.000546143    0.000144749    0.000224375
     34        6          -0.000372650   -0.001450084   -0.000212545
     35        6          -0.000296059    0.000264794   -0.000329998
     36        6           0.000624631   -0.000042899    0.000481241
     37        6          -0.001202895    0.000495558    0.000387771
     38        6          -0.000492886    0.000318814    0.000152874
     39        6          -0.000068969   -0.000269331    0.000185999
     40        6           0.000092220    0.000213934   -0.000056663
     41        6          -0.000257177    0.000036289    0.000288923
     42        6          -0.000489273   -0.000135770   -0.000441815
     43        6          -0.000139421   -0.000174694    0.000057738
     44        6          -0.000116687    0.000078080    0.000019392
     45        6          -0.000066083    0.000160858   -0.000238207
     46        6           0.000469921    0.000138474   -0.000140845
     47        6           0.000000244   -0.000180555   -0.000331142
     48        6           0.000208485    0.000156795    0.000015748
     49        6          -0.000156953    0.000069754   -0.000354350
     50        6          -0.000019352   -0.000209319   -0.000075619
     51        6           0.000316301   -0.000225913   -0.000006999
     52        6          -0.000061808    0.000225363   -0.000033845
     53        6          -0.000217556   -0.000261443    0.000363299
     54        6          -0.000512140    0.000007654   -0.000314379
     55        6           0.000425060    0.000272494    0.000130306
     56        6          -0.000191829   -0.000149392    0.000080971
     57        6           0.000090174   -0.000204363   -0.000204357
     58        6           0.000071924    0.000034618   -0.000077109
     59        6           0.000029806    0.000278563    0.000273448
     60        6          -0.000189337   -0.000069941    0.000007186
     61        6           0.000374735   -0.000032295   -0.000091394
     62        8           0.001689835   -0.002231829   -0.000278486
     63       15           0.000677260    0.004246374    0.003966075
     64        8          -0.003805742    0.000785068    0.001559712
     65        8          -0.000658141   -0.004867917   -0.001979135
     66        6           0.002205962   -0.000566741   -0.003585796
     67        6          -0.001162128    0.000235420    0.000616994
     68        6          -0.000706333   -0.001296033   -0.001052517
     69        6           0.000021674    0.001392733    0.000496226
     70        1          -0.000174070    0.000858691    0.000283075
     71        1          -0.000042552   -0.000037324    0.000038539
     72        1           0.000118826   -0.000020174    0.000211822
     73        1          -0.000076438   -0.000818330   -0.000304168
     74        1          -0.000004202   -0.000006810   -0.000228048
     75        1          -0.000473065    0.000388328   -0.000833412
     76        1          -0.000276238    0.001392699   -0.000600357
     77        1          -0.000072828    0.000020374    0.000191587
     78        1          -0.000018690   -0.000047643   -0.000124580
     79        1           0.000106008   -0.000022937   -0.000189012
     80        1          -0.000113175    0.000006389   -0.000030088
     81        1           0.000026202   -0.000021148   -0.000264824
     82        1           0.000021814   -0.000129457   -0.000219999
     83        1           0.000471851    0.000168999    0.000266498
     84        1           0.000101200    0.000105646   -0.000007957
     85        1           0.000052982   -0.000043825    0.000014180
     86        1           0.000049190   -0.000059846   -0.000022900
     87        1          -0.000258004    0.000101754    0.000053792
     88        1          -0.000012956    0.000030601    0.000106861
     89        1          -0.000074554   -0.000168837    0.000230680
     90        1          -0.000087604    0.000067449    0.000217464
     91        1           0.000029990    0.000190158   -0.000067328
     92        1          -0.000093774    0.000111790    0.000005664
     93        1          -0.000046474   -0.000087914    0.000100863
     94        1           0.000021277    0.000065864   -0.000103701
     95        1           0.000192455   -0.000043824   -0.000020049
     96        1          -0.000121727    0.000005355   -0.000130649
     97        1          -0.000004867   -0.000010201   -0.000016888
     98        1           0.000144381    0.000083712    0.000079833
     99        1           0.000042335    0.000041162   -0.000154863
    100        1           0.000023057    0.000072055   -0.000114605
    101        1           0.000082717    0.000056610    0.000070887
    102        1          -0.000037758    0.000078435    0.000075013
    103        1          -0.000261974    0.000407168    0.002918974
    104        1          -0.000204368   -0.000339290   -0.000142637
    105        1           0.000187937    0.000036455   -0.000209004
    106        1           0.000123097   -0.000448860   -0.000252318
    107        1          -0.000003882   -0.000117777    0.000389808
    108        1           0.000222246   -0.001148650    0.000269540
    109        1           0.000498200   -0.000943519    0.000529939
    110        1           0.000185302    0.000183215    0.000713631
    111        1          -0.000371097    0.000380958   -0.000084799
    112        1           0.000341729    0.000091787   -0.000184462
    113       17          -0.000166235   -0.001119227   -0.002696673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004867917 RMS     0.000800062

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.009890271 RMS     0.001057249
 Search for a local minimum.
 Step number  21 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   20   21
 DE= -3.23D-03 DEPred=-3.43D-03 R= 9.42D-01
 TightC=F SS=  1.41D+00  RLast= 7.02D-01 DXNew= 4.2976D+00 2.1071D+00
 Trust test= 9.42D-01 RLast= 7.02D-01 DXMaxT set to 2.56D+00
 ITU=  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1
 ITU=  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00121   0.00421   0.00764   0.00954   0.01143
     Eigenvalues ---    0.01231   0.01592   0.01887   0.02390   0.02477
     Eigenvalues ---    0.02485   0.02539   0.02554   0.02568   0.02588
     Eigenvalues ---    0.02607   0.02636   0.02679   0.02683   0.02697
     Eigenvalues ---    0.02703   0.02708   0.02717   0.02718   0.02747
     Eigenvalues ---    0.02753   0.02774   0.02790   0.02794   0.02802
     Eigenvalues ---    0.02811   0.02812   0.02813   0.02819   0.02827
     Eigenvalues ---    0.02839   0.02850   0.02864   0.02870   0.02873
     Eigenvalues ---    0.02878   0.02879   0.02890   0.02898   0.02902
     Eigenvalues ---    0.02902   0.02907   0.02913   0.02917   0.02917
     Eigenvalues ---    0.02925   0.02927   0.02938   0.02947   0.02949
     Eigenvalues ---    0.02951   0.02952   0.02952   0.02957   0.02961
     Eigenvalues ---    0.02964   0.02965   0.02969   0.02976   0.02979
     Eigenvalues ---    0.02986   0.02991   0.02992   0.02999   0.03013
     Eigenvalues ---    0.03018   0.03020   0.03030   0.03045   0.03059
     Eigenvalues ---    0.03060   0.03062   0.03068   0.03079   0.03093
     Eigenvalues ---    0.03101   0.03111   0.03119   0.03132   0.03142
     Eigenvalues ---    0.03158   0.03164   0.03172   0.03178   0.03186
     Eigenvalues ---    0.03224   0.03240   0.03245   0.03278   0.03301
     Eigenvalues ---    0.03344   0.03440   0.03590   0.04273   0.05204
     Eigenvalues ---    0.05345   0.05722   0.05752   0.05855   0.05885
     Eigenvalues ---    0.05919   0.06179   0.06677   0.08500   0.11473
     Eigenvalues ---    0.11702   0.12030   0.12915   0.13730   0.14516
     Eigenvalues ---    0.15585   0.15878   0.15957   0.15987   0.15993
     Eigenvalues ---    0.15995   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16009   0.16011
     Eigenvalues ---    0.16033   0.16045   0.16061   0.16296   0.17858
     Eigenvalues ---    0.19678   0.19923   0.21111   0.21548   0.21996
     Eigenvalues ---    0.21997   0.21999   0.22000   0.22002   0.22014
     Eigenvalues ---    0.22223   0.22397   0.22468   0.22524   0.22592
     Eigenvalues ---    0.22599   0.22612   0.22620   0.22666   0.22729
     Eigenvalues ---    0.23039   0.23422   0.23481   0.23651   0.23940
     Eigenvalues ---    0.24225   0.24380   0.24464   0.24468   0.24486
     Eigenvalues ---    0.24519   0.24523   0.24560   0.24730   0.24822
     Eigenvalues ---    0.24909   0.24945   0.24964   0.24975   0.24979
     Eigenvalues ---    0.24981   0.24985   0.24987   0.24997   0.25038
     Eigenvalues ---    0.25140   0.25544   0.25608   0.25880   0.26514
     Eigenvalues ---    0.27129   0.27202   0.27826   0.28743   0.28755
     Eigenvalues ---    0.28856   0.29274   0.29329   0.29658   0.30018
     Eigenvalues ---    0.30151   0.30474   0.30655   0.30718   0.30833
     Eigenvalues ---    0.30940   0.31145   0.31162   0.31267   0.31384
     Eigenvalues ---    0.31481   0.31574   0.31742   0.32137   0.32233
     Eigenvalues ---    0.32638   0.32911   0.33155   0.33536   0.33964
     Eigenvalues ---    0.34055   0.34127   0.34315   0.34498   0.34671
     Eigenvalues ---    0.34938   0.35120   0.35159   0.35483   0.35584
     Eigenvalues ---    0.35854   0.36389   0.36778   0.37135   0.37309
     Eigenvalues ---    0.39017   0.40004   0.41530   0.41561   0.42040
     Eigenvalues ---    0.42730   0.43281   0.43471   0.44428   0.45318
     Eigenvalues ---    0.46528   0.47092   0.47099   0.47182   0.47603
     Eigenvalues ---    0.47717   0.48293   0.49802   0.50097   0.50445
     Eigenvalues ---    0.50532   0.50591   0.51479   0.51768   0.52079
     Eigenvalues ---    0.52193   0.52308   0.52651   0.53100   0.53231
     Eigenvalues ---    0.53399   0.53785   0.54290   0.54338   0.54983
     Eigenvalues ---    0.55038   0.55334   0.55624   0.55660   0.55973
     Eigenvalues ---    0.56130   0.56188   0.56445   0.56534   0.56739
     Eigenvalues ---    0.56929   0.57066   0.57204   0.57872   0.58181
     Eigenvalues ---    0.58242   0.58284   0.58320   0.58485   0.58618
     Eigenvalues ---    0.58686   0.58912   0.59372   0.59547   0.59719
     Eigenvalues ---    0.59810   0.60107   0.60611   0.60887   0.61715
     Eigenvalues ---    0.62315   0.63264   0.63581   0.64561   0.65228
     Eigenvalues ---    0.66056   0.66782   0.67805   0.68872   0.70037
     Eigenvalues ---    0.72100   0.73252   0.74622   0.80225   0.80554
     Eigenvalues ---    0.85854   0.89103   1.85342
 RFO step:  Lambda=-3.03491490D-03 EMin= 1.20944906D-03
 Quartic linear search produced a step of  0.16591.
 Iteration  1 RMS(Cart)=  0.10683692 RMS(Int)=  0.00381752
 Iteration  2 RMS(Cart)=  0.00711503 RMS(Int)=  0.00006608
 Iteration  3 RMS(Cart)=  0.00006712 RMS(Int)=  0.00005809
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00005809
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64190  -0.00074   0.00018  -0.00104  -0.00087   2.64103
    R2        2.65420  -0.00013   0.00033   0.00082   0.00117   2.65537
    R3        2.67416   0.00036  -0.00072  -0.00189  -0.00261   2.67155
    R4        2.64277   0.00101   0.00020   0.00276   0.00294   2.64570
    R5        2.04692  -0.00021  -0.00000  -0.00146  -0.00146   2.04545
    R6        2.66591  -0.00069   0.00071   0.00127   0.00185   2.66776
    R7        2.78698   0.00024   0.00162   0.00391   0.00539   2.79238
    R8        2.64720   0.00000   0.00047   0.00124   0.00171   2.64891
    R9        2.78339  -0.00152   0.00035  -0.00429  -0.00391   2.77948
   R10        2.62248  -0.00044  -0.00017  -0.00176  -0.00191   2.62057
   R11        2.04830  -0.00006   0.00012  -0.00034  -0.00021   2.04809
   R12        2.04893  -0.00004   0.00000  -0.00102  -0.00101   2.04792
   R13        2.67642   0.00082  -0.00017   0.00337   0.00316   2.67959
   R14        2.64426   0.00064   0.00016   0.00159   0.00172   2.64598
   R15        2.82455  -0.00075   0.00398   0.00568   0.00976   2.83431
   R16        2.64865   0.00064  -0.00100  -0.00011  -0.00110   2.64756
   R17        2.83219  -0.00130   0.00308  -0.00003   0.00323   2.83542
   R18        2.66611   0.00157   0.00545   0.01538   0.02093   2.68703
   R19        2.43946  -0.00183   0.00012   0.00043   0.00050   2.43996
   R20        2.63785  -0.00010   0.00015   0.00010   0.00023   2.63808
   R21        2.04635  -0.00032   0.00001  -0.00093  -0.00092   2.04543
   R22        2.64555  -0.00018   0.00002  -0.00011  -0.00008   2.64547
   R23        2.67509  -0.00053   0.00017  -0.00164  -0.00147   2.67362
   R24        2.62269  -0.00030   0.00036  -0.00047  -0.00008   2.62261
   R25        2.04830   0.00008  -0.00004  -0.00040  -0.00044   2.04785
   R26        2.04262  -0.00055   0.00006  -0.00195  -0.00190   2.04072
   R27        2.68967   0.00444  -0.00022   0.00380   0.00363   2.69331
   R28        3.33225   0.00478  -0.00512   0.01472   0.00960   3.34186
   R29        2.67241   0.00165   0.00024   0.00499   0.00519   2.67760
   R30        2.65537   0.00124   0.00062   0.00444   0.00508   2.66045
   R31        2.61120  -0.00042  -0.00057  -0.00600  -0.00666   2.60454
   R32        2.65120   0.00102   0.00050   0.00417   0.00466   2.65586
   R33        2.62421   0.00029  -0.00044  -0.00133  -0.00176   2.62244
   R34        2.03608  -0.00154   0.00011  -0.00358  -0.00347   2.03262
   R35        2.65355  -0.00084   0.00075   0.00176   0.00250   2.65605
   R36        2.04950  -0.00007   0.00012   0.00008   0.00020   2.04969
   R37        2.62474  -0.00074  -0.00035  -0.00337  -0.00374   2.62100
   R38        2.67523   0.00103  -0.00052  -0.00010  -0.00062   2.67461
   R39        2.04754   0.00001   0.00011   0.00031   0.00042   2.04796
   R40        2.65288  -0.00056   0.00058   0.00000   0.00058   2.65346
   R41        2.65331  -0.00041   0.00086   0.00109   0.00194   2.65525
   R42        2.65050  -0.00013   0.00037   0.00062   0.00099   2.65149
   R43        2.65015   0.00023   0.00023   0.00104   0.00127   2.65142
   R44        2.65197  -0.00072   0.00075   0.00062   0.00136   2.65333
   R45        2.64889  -0.00068   0.00037  -0.00054  -0.00017   2.64871
   R46        2.67812  -0.00003   0.00008  -0.00009  -0.00001   2.67811
   R47        2.64102  -0.00015   0.00027   0.00002   0.00029   2.64131
   R48        2.73722  -0.00003   0.00014   0.00022   0.00036   2.73758
   R49        2.64513  -0.00010   0.00026   0.00021   0.00046   2.64559
   R50        2.67977  -0.00006   0.00007  -0.00006   0.00001   2.67978
   R51        2.64391   0.00026   0.00002   0.00084   0.00086   2.64477
   R52        2.64099   0.00018   0.00003   0.00046   0.00049   2.64148
   R53        2.67833   0.00001   0.00013  -0.00004   0.00009   2.67842
   R54        2.64089  -0.00002   0.00009   0.00011   0.00019   2.64108
   R55        2.73598   0.00014   0.00005   0.00065   0.00070   2.73669
   R56        2.64444   0.00006  -0.00000   0.00009   0.00009   2.64453
   R57        2.67806   0.00017  -0.00024   0.00004  -0.00019   2.67787
   R58        2.64490  -0.00008   0.00019   0.00008   0.00027   2.64517
   R59        2.64126  -0.00004   0.00017   0.00046   0.00063   2.64189
   R60        2.67855   0.00018  -0.00009   0.00002  -0.00007   2.67848
   R61        2.64022   0.00016   0.00000   0.00034   0.00034   2.64055
   R62        2.73685  -0.00020   0.00029   0.00025   0.00054   2.73739
   R63        2.64460   0.00021   0.00006   0.00094   0.00100   2.64561
   R64        2.67864   0.00026  -0.00006   0.00076   0.00070   2.67934
   R65        2.64459   0.00005   0.00007   0.00013   0.00020   2.64479
   R66        2.64062   0.00017  -0.00001   0.00011   0.00010   2.64072
   R67        2.63059  -0.00026   0.00028  -0.00025   0.00003   2.63061
   R68        2.05273  -0.00005   0.00003  -0.00026  -0.00023   2.05250
   R69        2.65419   0.00012   0.00004   0.00057   0.00062   2.65480
   R70        2.05108   0.00010  -0.00003   0.00009   0.00006   2.05114
   R71        2.63341   0.00023   0.00009   0.00059   0.00068   2.63408
   R72        2.05206   0.00014  -0.00015  -0.00109  -0.00123   2.05083
   R73        2.04887  -0.00008   0.00017  -0.00005   0.00013   2.04900
   R74        2.63258   0.00006  -0.00003   0.00002  -0.00000   2.63257
   R75        2.04747   0.00057  -0.00046   0.00064   0.00018   2.04765
   R76        2.65529   0.00003   0.00014   0.00052   0.00066   2.65594
   R77        2.05219  -0.00003   0.00002  -0.00035  -0.00033   2.05186
   R78        2.62947   0.00004   0.00002   0.00024   0.00026   2.62972
   R79        2.05140   0.00002  -0.00000  -0.00000  -0.00001   2.05140
   R80        2.05270  -0.00002   0.00002  -0.00013  -0.00011   2.05259
   R81        2.62928   0.00016  -0.00005   0.00034   0.00029   2.62957
   R82        2.05191   0.00026  -0.00030  -0.00041  -0.00071   2.05120
   R83        2.65475  -0.00009   0.00014   0.00016   0.00030   2.65505
   R84        2.05149  -0.00003  -0.00001  -0.00052  -0.00053   2.05096
   R85        2.63327  -0.00021   0.00011  -0.00045  -0.00034   2.63293
   R86        2.05219  -0.00003   0.00001  -0.00054  -0.00053   2.05166
   R87        2.04873  -0.00018   0.00009  -0.00097  -0.00088   2.04785
   R88        2.63294   0.00002   0.00015   0.00015   0.00030   2.63324
   R89        2.04869  -0.00004   0.00004  -0.00085  -0.00081   2.04788
   R90        2.65429   0.00019  -0.00007   0.00049   0.00042   2.65471
   R91        2.05214  -0.00001   0.00002  -0.00008  -0.00006   2.05207
   R92        2.62950   0.00005   0.00018   0.00059   0.00078   2.63028
   R93        2.05145   0.00000  -0.00001   0.00000  -0.00000   2.05145
   R94        2.05264   0.00001  -0.00000  -0.00008  -0.00008   2.05256
   R95        2.63039  -0.00015   0.00022  -0.00003   0.00019   2.63058
   R96        2.05231   0.00011  -0.00004   0.00002  -0.00001   2.05230
   R97        2.65443   0.00021   0.00004   0.00073   0.00076   2.65519
   R98        2.05146  -0.00000   0.00002  -0.00031  -0.00030   2.05116
   R99        2.63325  -0.00004   0.00009  -0.00006   0.00003   2.63329
   R100       2.05227   0.00002  -0.00002  -0.00041  -0.00043   2.05184
   R101       2.04953  -0.00015   0.00017  -0.00060  -0.00043   2.04910
   R102       2.63231   0.00028  -0.00003   0.00073   0.00070   2.63301
   R103       2.04904  -0.00013   0.00011  -0.00012  -0.00002   2.04902
   R104       2.65537  -0.00007   0.00021   0.00025   0.00046   2.65583
   R105       2.05233  -0.00004   0.00004  -0.00023  -0.00019   2.05213
   R106       2.62927   0.00008   0.00006   0.00034   0.00040   2.62967
   R107       2.05111   0.00010  -0.00002   0.00058   0.00056   2.05167
   R108       2.05289  -0.00005   0.00001  -0.00069  -0.00068   2.05221
   R109       2.78293  -0.00087   0.00096   0.00165   0.00261   2.78554
   R110       3.03346  -0.00345  -0.00015  -0.00442  -0.00457   3.02889
   R111       3.01919   0.00429   0.00124   0.01834   0.01958   3.03877
   R112       2.79350  -0.00354  -0.00019  -0.00063  -0.00082   2.79269
   R113       2.75224   0.00132   0.00063   0.00433   0.00495   2.75720
   R114       2.86303  -0.00067   0.00051  -0.00104  -0.00053   2.86250
   R115       2.05823   0.00027  -0.00015   0.00268   0.00253   2.06076
   R116       2.06491   0.00011  -0.00011   0.00012   0.00001   2.06492
   R117       2.06986  -0.00021   0.00015  -0.00013   0.00002   2.06988
   R118       2.06595   0.00025  -0.00031  -0.00074  -0.00105   2.06490
   R119       2.06540  -0.00034   0.00014  -0.00117  -0.00104   2.06436
   R120       2.87246  -0.00212   0.00052  -0.00570  -0.00518   2.86728
   R121       2.06827  -0.00014   0.00026   0.00063   0.00088   2.06916
   R122       2.06294   0.00064  -0.00012   0.00171   0.00159   2.06453
   R123       2.06863   0.00003  -0.00004  -0.00028  -0.00032   2.06831
   R124       2.06533   0.00017   0.00006   0.00081   0.00087   2.06619
   R125       2.06590   0.00011  -0.00002  -0.00028  -0.00030   2.06560
   R126       5.08552   0.00072   0.00122   0.02838   0.02960   5.11513
    A1        2.09036  -0.00028  -0.00006  -0.00159  -0.00168   2.08868
    A2        2.09367   0.00011  -0.00048   0.00011  -0.00036   2.09331
    A3        2.09908   0.00017   0.00053   0.00151   0.00205   2.10113
    A4        2.10473   0.00079   0.00026   0.00562   0.00579   2.11052
    A5        2.08013  -0.00127   0.00003  -0.00856  -0.00851   2.07163
    A6        2.09822   0.00047  -0.00021   0.00294   0.00276   2.10098
    A7        2.08187  -0.00094  -0.00003  -0.00578  -0.00572   2.07615
    A8        2.14162   0.00100  -0.00098   0.00055  -0.00019   2.14143
    A9        2.05476  -0.00004   0.00078   0.00526   0.00569   2.06045
   A10        2.08951   0.00023  -0.00024   0.00128   0.00096   2.09047
   A11        2.09135   0.00037   0.00055   0.00343   0.00368   2.09503
   A12        2.10047  -0.00058  -0.00007  -0.00332  -0.00339   2.09708
   A13        2.10491   0.00039   0.00035   0.00269   0.00302   2.10793
   A14        2.06974  -0.00021  -0.00046  -0.00180  -0.00225   2.06748
   A15        2.10851  -0.00018   0.00013  -0.00087  -0.00074   2.10777
   A16        2.09252  -0.00020   0.00001  -0.00151  -0.00151   2.09101
   A17        2.08629   0.00018  -0.00015   0.00167   0.00151   2.08780
   A18        2.10437   0.00002   0.00016  -0.00016  -0.00001   2.10436
   A19        2.09824  -0.00090   0.00064  -0.00016   0.00020   2.09843
   A20        2.09370   0.00170   0.00001   0.00566   0.00585   2.09955
   A21        2.08401  -0.00079  -0.00068  -0.00515  -0.00574   2.07826
   A22        2.06482   0.00068  -0.00064   0.00281   0.00196   2.06678
   A23        2.06626   0.00007   0.00097   0.00185   0.00271   2.06897
   A24        2.14372  -0.00070   0.00037  -0.00194  -0.00165   2.14207
   A25        1.94796  -0.00036  -0.00182   0.00031  -0.00175   1.94621
   A26        2.07426  -0.00013  -0.00399   0.00422   0.00001   2.07427
   A27        2.02209   0.00129  -0.00251   0.00167  -0.00094   2.02115
   A28        2.03090   0.00061  -0.00043   0.00394   0.00358   2.03448
   A29        2.08418  -0.00085  -0.00002  -0.00413  -0.00425   2.07993
   A30        2.16661   0.00022   0.00056   0.00046   0.00102   2.16764
   A31        2.11600   0.00046  -0.00013   0.00305   0.00284   2.11884
   A32        2.08998   0.00060   0.00029   0.00424   0.00456   2.09454
   A33        2.07682  -0.00106  -0.00008  -0.00726  -0.00731   2.06951
   A34        2.07920   0.00018   0.00017   0.00015   0.00028   2.07948
   A35        2.09734   0.00043  -0.00088   0.00267   0.00180   2.09915
   A36        2.10582  -0.00061   0.00077  -0.00260  -0.00182   2.10400
   A37        2.09342  -0.00012  -0.00015  -0.00125  -0.00139   2.09203
   A38        2.09148   0.00002   0.00004  -0.00008  -0.00005   2.09143
   A39        2.09813   0.00010   0.00017   0.00128   0.00144   2.09957
   A40        2.12088   0.00025  -0.00048   0.00107   0.00059   2.12147
   A41        2.10270   0.00007  -0.00068  -0.00048  -0.00119   2.10151
   A42        2.05900  -0.00034   0.00136  -0.00093   0.00040   2.05940
   A43        2.08613  -0.00122   0.00053  -0.00541  -0.00499   2.08114
   A44        2.08061  -0.00664   0.00014  -0.02014  -0.02036   2.06025
   A45        2.08083   0.00749  -0.00167   0.01448   0.01218   2.09301
   A46        2.07566  -0.00195   0.00064  -0.00178  -0.00107   2.07459
   A47        2.15078   0.00430  -0.00038   0.01132   0.01085   2.16163
   A48        2.05604  -0.00234  -0.00016  -0.00936  -0.00954   2.04650
   A49        2.13699   0.00125   0.00014   0.00590   0.00597   2.14295
   A50        2.10706   0.00050   0.00031   0.00272   0.00306   2.11011
   A51        2.03914  -0.00175  -0.00044  -0.00862  -0.00906   2.03008
   A52        2.07782   0.00041   0.00096  -0.00057   0.00031   2.07813
   A53        2.10976   0.00129  -0.00021   0.00602   0.00581   2.11557
   A54        2.11813  -0.00067  -0.00007  -0.00452  -0.00466   2.11348
   A55        2.05502  -0.00062   0.00042  -0.00129  -0.00094   2.05408
   A56        2.11617   0.00041   0.00035   0.00114   0.00149   2.11765
   A57        2.08356  -0.00030   0.00022  -0.00083  -0.00062   2.08294
   A58        2.08344  -0.00011  -0.00055  -0.00029  -0.00085   2.08259
   A59        2.06750  -0.00062  -0.00002  -0.00362  -0.00367   2.06383
   A60        2.10547   0.00016   0.00000   0.00047   0.00048   2.10595
   A61        2.11015   0.00046   0.00002   0.00317   0.00319   2.11335
   A62        2.10960   0.00076  -0.00025   0.00299   0.00273   2.11232
   A63        2.05201  -0.00037  -0.00010  -0.00161  -0.00170   2.05031
   A64        2.12157  -0.00039   0.00035  -0.00137  -0.00102   2.12055
   A65        2.19898  -0.00051   0.00077  -0.00094  -0.00017   2.19881
   A66        2.19413   0.00047  -0.00075   0.00096   0.00021   2.19434
   A67        1.88998   0.00004  -0.00003   0.00001  -0.00001   1.88996
   A68        2.19252  -0.00041   0.00069  -0.00290  -0.00224   2.19028
   A69        2.19854   0.00053  -0.00069   0.00340   0.00268   2.20122
   A70        1.89182  -0.00012   0.00007  -0.00027  -0.00022   1.89161
   A71        2.19528   0.00019  -0.00019   0.00075   0.00054   2.19582
   A72        2.19594  -0.00020   0.00030   0.00023   0.00051   2.19645
   A73        1.89087   0.00002  -0.00009  -0.00053  -0.00063   1.89024
   A74        1.90036   0.00008  -0.00020  -0.00020  -0.00039   1.89997
   A75        2.25763   0.00002   0.00007   0.00039   0.00045   2.25808
   A76        2.12454  -0.00010   0.00010  -0.00037  -0.00027   2.12428
   A77        1.86634   0.00003   0.00019   0.00053   0.00072   1.86707
   A78        2.08506   0.00016  -0.00017   0.00054   0.00036   2.08543
   A79        2.33166  -0.00019  -0.00003  -0.00108  -0.00112   2.33054
   A80        1.86682  -0.00005  -0.00003  -0.00024  -0.00028   1.86654
   A81        2.33032  -0.00015   0.00025  -0.00063  -0.00039   2.32993
   A82        2.08584   0.00020  -0.00020   0.00096   0.00076   2.08661
   A83        1.89942   0.00005  -0.00002   0.00017   0.00016   1.89958
   A84        2.26134   0.00027  -0.00024   0.00134   0.00109   2.26243
   A85        2.12172  -0.00032   0.00030  -0.00144  -0.00114   2.12057
   A86        1.90006   0.00023  -0.00027   0.00021  -0.00006   1.90001
   A87        2.26089  -0.00019   0.00020  -0.00026  -0.00008   2.26082
   A88        2.12139  -0.00004   0.00001  -0.00002  -0.00001   2.12138
   A89        1.86739  -0.00020   0.00025  -0.00011   0.00014   1.86753
   A90        2.08663   0.00011  -0.00011   0.00045   0.00034   2.08697
   A91        2.32916   0.00009  -0.00014  -0.00037  -0.00053   2.32862
   A92        1.86705  -0.00015   0.00018   0.00021   0.00039   1.86744
   A93        2.32822   0.00020  -0.00028  -0.00008  -0.00038   2.32785
   A94        2.08789  -0.00005   0.00010  -0.00015  -0.00006   2.08783
   A95        1.90029   0.00009  -0.00014  -0.00032  -0.00046   1.89982
   A96        2.26327  -0.00004   0.00011   0.00044   0.00054   2.26380
   A97        2.11894  -0.00005  -0.00005  -0.00023  -0.00028   2.11865
   A98        1.89988   0.00022  -0.00012   0.00053   0.00042   1.90029
   A99        2.25945   0.00013  -0.00032   0.00008  -0.00024   2.25921
   A100       2.12336  -0.00035   0.00042  -0.00060  -0.00018   2.12318
   A101       1.86680  -0.00022   0.00013  -0.00026  -0.00013   1.86667
   A102       2.08551   0.00021  -0.00023   0.00061   0.00038   2.08589
   A103       2.33084   0.00001   0.00009  -0.00036  -0.00027   2.33056
   A104       1.86607  -0.00017   0.00007  -0.00022  -0.00016   1.86591
   A105       2.33104   0.00012   0.00001   0.00021   0.00020   2.33124
   A106       2.08608   0.00005  -0.00009   0.00000  -0.00009   2.08599
   A107       1.90114   0.00015   0.00001   0.00050   0.00052   1.90165
   A108       2.25921   0.00005  -0.00030  -0.00031  -0.00062   2.25859
   A109       2.12226  -0.00020   0.00027  -0.00021   0.00005   2.12231
   A110       2.08041   0.00003   0.00001  -0.00006  -0.00005   2.08036
   A111       2.09929   0.00007  -0.00006   0.00077   0.00070   2.09999
   A112       2.10348  -0.00010   0.00006  -0.00071  -0.00065   2.10283
   A113       2.10381  -0.00002   0.00006  -0.00022  -0.00016   2.10365
   A114       2.09209  -0.00003   0.00000  -0.00029  -0.00029   2.09180
   A115       2.08726   0.00005  -0.00006   0.00051   0.00045   2.08771
   A116       2.11974  -0.00007  -0.00003  -0.00030  -0.00032   2.11942
   A117       2.08635  -0.00006   0.00014  -0.00032  -0.00017   2.08618
   A118       2.07708   0.00014  -0.00011   0.00062   0.00051   2.07758
   A119       2.05460   0.00019  -0.00014   0.00102   0.00088   2.05548
   A120       2.11911  -0.00001  -0.00012   0.00010  -0.00003   2.11908
   A121       2.10944  -0.00018   0.00026  -0.00116  -0.00091   2.10853
   A122       2.05225   0.00005  -0.00003   0.00021   0.00018   2.05243
   A123       2.11950  -0.00004   0.00004  -0.00050  -0.00046   2.11904
   A124       2.11139  -0.00001  -0.00001   0.00028   0.00027   2.11166
   A125       2.12021  -0.00000  -0.00001  -0.00000  -0.00001   2.12020
   A126       2.07878  -0.00015   0.00021  -0.00134  -0.00113   2.07765
   A127       2.08417   0.00015  -0.00020   0.00133   0.00113   2.08530
   A128       2.10487  -0.00004   0.00003  -0.00008  -0.00005   2.10481
   A129       2.08741  -0.00003   0.00002  -0.00046  -0.00045   2.08696
   A130       2.09087   0.00008  -0.00004   0.00057   0.00052   2.09139
   A131       2.07924  -0.00007   0.00008  -0.00032  -0.00024   2.07900
   A132       2.10024   0.00007  -0.00016   0.00035   0.00019   2.10044
   A133       2.10368  -0.00000   0.00008  -0.00003   0.00004   2.10372
   A134       2.07999   0.00000  -0.00002   0.00033   0.00032   2.08030
   A135       2.09881   0.00010  -0.00020   0.00026   0.00006   2.09887
   A136       2.10436  -0.00010   0.00021  -0.00058  -0.00037   2.10400
   A137       2.10353  -0.00002  -0.00006  -0.00032  -0.00038   2.10315
   A138       2.09299  -0.00008   0.00019  -0.00066  -0.00048   2.09252
   A139       2.08664   0.00010  -0.00013   0.00100   0.00087   2.08750
   A140       2.11898   0.00002   0.00002   0.00005   0.00006   2.11905
   A141       2.08832  -0.00001   0.00011   0.00016   0.00027   2.08858
   A142       2.07588  -0.00001  -0.00013  -0.00021  -0.00034   2.07555
   A143       2.05668   0.00009  -0.00003   0.00030   0.00027   2.05695
   A144       2.12147  -0.00015   0.00035  -0.00006   0.00029   2.12177
   A145       2.10495   0.00006  -0.00033  -0.00021  -0.00054   2.10441
   A146       2.05437   0.00001   0.00007  -0.00000   0.00007   2.05445
   A147       2.11852   0.00009   0.00003   0.00140   0.00142   2.11994
   A148       2.11021  -0.00010  -0.00009  -0.00135  -0.00145   2.10876
   A149       2.11990   0.00003  -0.00012   0.00004  -0.00007   2.11983
   A150       2.07635   0.00013  -0.00021   0.00084   0.00063   2.07699
   A151       2.08692  -0.00016   0.00033  -0.00088  -0.00056   2.08636
   A152       2.10401  -0.00004   0.00006  -0.00003   0.00003   2.10404
   A153       2.08735   0.00003  -0.00000   0.00026   0.00026   2.08761
   A154       2.09182   0.00001  -0.00006  -0.00024  -0.00030   2.09152
   A155       2.07962  -0.00007   0.00007  -0.00035  -0.00027   2.07935
   A156       2.10037   0.00001  -0.00001  -0.00025  -0.00026   2.10012
   A157       2.10315   0.00006  -0.00006   0.00062   0.00056   2.10371
   A158       2.07949   0.00008  -0.00009   0.00024   0.00016   2.07964
   A159       2.09953   0.00008  -0.00010   0.00081   0.00071   2.10024
   A160       2.10413  -0.00016   0.00019  -0.00104  -0.00085   2.10328
   A161       2.10446  -0.00004   0.00007  -0.00024  -0.00017   2.10429
   A162       2.09100   0.00010  -0.00015   0.00056   0.00041   2.09142
   A163       2.08772  -0.00005   0.00008  -0.00033  -0.00025   2.08747
   A164       2.11947   0.00001   0.00000   0.00007   0.00008   2.11955
   A165       2.08518  -0.00001   0.00003   0.00055   0.00058   2.08575
   A166       2.07853  -0.00000  -0.00003  -0.00063  -0.00066   2.07787
   A167       2.05431   0.00010  -0.00017   0.00021   0.00004   2.05435
   A168       2.11845  -0.00010   0.00002  -0.00049  -0.00048   2.11797
   A169       2.11039  -0.00000   0.00015   0.00028   0.00043   2.11083
   A170       2.05303   0.00024  -0.00027   0.00058   0.00031   2.05335
   A171       2.11974  -0.00015  -0.00001  -0.00045  -0.00046   2.11928
   A172       2.11039  -0.00008   0.00027  -0.00013   0.00014   2.11054
   A173       2.12059  -0.00008   0.00003  -0.00036  -0.00033   2.12026
   A174       2.07699   0.00013  -0.00009   0.00075   0.00066   2.07764
   A175       2.08560  -0.00005   0.00006  -0.00038  -0.00033   2.08528
   A176       2.10377   0.00005   0.00003   0.00028   0.00031   2.10409
   A177       2.08731  -0.00003  -0.00003  -0.00024  -0.00026   2.08704
   A178       2.09210  -0.00002  -0.00001  -0.00004  -0.00005   2.09205
   A179       2.07984  -0.00006   0.00001  -0.00043  -0.00042   2.07942
   A180       2.09937   0.00014  -0.00016   0.00103   0.00087   2.10024
   A181       2.10396  -0.00007   0.00015  -0.00061  -0.00046   2.10350
   A182       1.98224  -0.00070   0.00524   0.02006   0.02541   2.00765
   A183       1.84799  -0.00307  -0.00473  -0.00567  -0.01045   1.83754
   A184       1.69730   0.00828  -0.00583   0.02168   0.01574   1.71304
   A185       2.03139  -0.00066   0.00157  -0.00550  -0.00403   2.02736
   A186       2.08544  -0.00543   0.00535  -0.02762  -0.02251   2.06293
   A187       1.77541   0.00305  -0.00393   0.00072  -0.00339   1.77201
   A188       2.08474  -0.00989   0.00257   0.00691   0.00948   2.09422
   A189       2.15151  -0.00230  -0.01400  -0.04462  -0.05861   2.09289
   A190       1.89614   0.00119  -0.00172  -0.00058  -0.00228   1.89386
   A191       1.88406  -0.00475  -0.00355   0.00445   0.00092   1.88498
   A192       1.84829   0.00157   0.00168  -0.00435  -0.00267   1.84562
   A193       1.95535   0.00244   0.00333  -0.00084   0.00248   1.95783
   A194       1.95801  -0.00087   0.00051   0.00162   0.00212   1.96013
   A195       1.91727   0.00018  -0.00055  -0.00036  -0.00094   1.91634
   A196       1.90287   0.00038   0.00059   0.00540   0.00599   1.90886
   A197       1.94816  -0.00072  -0.00024  -0.00682  -0.00707   1.94109
   A198       1.92984   0.00018  -0.00055  -0.00067  -0.00123   1.92860
   A199       1.89092   0.00015  -0.00024   0.00008  -0.00016   1.89076
   A200       1.88736  -0.00020   0.00122   0.00331   0.00452   1.89188
   A201       1.90331   0.00022  -0.00071  -0.00096  -0.00170   1.90161
   A202       1.91959  -0.00199   0.00278  -0.00275   0.00002   1.91961
   A203       1.83353   0.00181  -0.00399   0.01161   0.00762   1.84115
   A204       1.91133   0.00097   0.00140   0.00549   0.00686   1.91819
   A205       1.94589  -0.00016   0.00080   0.00074   0.00152   1.94741
   A206       1.95935  -0.00035   0.00015  -0.00880  -0.00868   1.95067
   A207       1.88965  -0.00009  -0.00138  -0.00485  -0.00627   1.88338
   A208       1.91907  -0.00068   0.00065  -0.00163  -0.00099   1.91808
   A209       1.93955  -0.00015  -0.00102  -0.00476  -0.00578   1.93377
   A210       1.92778  -0.00011   0.00079   0.00214   0.00293   1.93071
   A211       1.89339   0.00037  -0.00045   0.00021  -0.00026   1.89313
   A212       1.88703   0.00044  -0.00018   0.00291   0.00272   1.88974
   A213       1.89583   0.00017   0.00022   0.00134   0.00157   1.89739
   A214       2.36932  -0.00574  -0.00178  -0.02566  -0.02744   2.34189
    D1       -0.00349   0.00006  -0.00113   0.00011  -0.00101  -0.00450
    D2        3.12296  -0.00015   0.00252  -0.00009   0.00243   3.12539
    D3        3.12419   0.00021  -0.00258   0.00226  -0.00031   3.12388
    D4       -0.03255   0.00000   0.00107   0.00206   0.00313  -0.02942
    D5       -0.03802  -0.00010   0.00255   0.00604   0.00860  -0.02942
    D6        3.10275   0.00010  -0.00050   0.00321   0.00271   3.10546
    D7        3.11753  -0.00026   0.00401   0.00390   0.00792   3.12544
    D8       -0.02488  -0.00005   0.00096   0.00107   0.00203  -0.02285
    D9        2.27558  -0.00014   0.00774   0.01158   0.01933   2.29490
   D10       -0.88252  -0.00002   0.00741   0.01378   0.02119  -0.86133
   D11       -0.88000   0.00001   0.00629   0.01371   0.02000  -0.86000
   D12        2.24509   0.00013   0.00595   0.01591   0.02186   2.26695
   D13        0.05899   0.00005  -0.00198  -0.00835  -0.01032   0.04867
   D14       -2.97346  -0.00017   0.00065  -0.00895  -0.00829  -2.98175
   D15       -3.06729   0.00028  -0.00568  -0.00805  -0.01372  -3.08102
   D16        0.18344   0.00006  -0.00304  -0.00865  -0.01168   0.17175
   D17       -0.07342  -0.00012   0.00371   0.01040   0.01408  -0.05934
   D18        3.00292   0.00031   0.00724   0.03467   0.04197   3.04489
   D19        2.96444   0.00016   0.00111   0.01073   0.01181   2.97625
   D20       -0.24241   0.00058   0.00465   0.03499   0.03971  -0.20270
   D21       -2.89373  -0.00037  -0.01043  -0.04385  -0.05427  -2.94800
   D22        0.37766  -0.00034  -0.01009  -0.04652  -0.05660   0.32106
   D23        0.35540  -0.00053  -0.00780  -0.04380  -0.05158   0.30382
   D24       -2.65639  -0.00050  -0.00746  -0.04647  -0.05391  -2.71030
   D25        0.03273   0.00013  -0.00230  -0.00403  -0.00635   0.02638
   D26       -3.11642   0.00013  -0.00075  -0.00016  -0.00093  -3.11736
   D27       -3.04326  -0.00033  -0.00589  -0.02868  -0.03455  -3.07781
   D28        0.09077  -0.00033  -0.00433  -0.02481  -0.02913   0.06164
   D29       -0.31710  -0.00052  -0.00281  -0.01111  -0.01394  -0.33105
   D30        2.88086  -0.00018  -0.00487  -0.01617  -0.02113   2.85973
   D31        2.75882  -0.00006   0.00074   0.01348   0.01423   2.77304
   D32       -0.32641   0.00027  -0.00132   0.00842   0.00704  -0.31937
   D33        0.02322   0.00003  -0.00084  -0.00401  -0.00485   0.01837
   D34       -3.11755  -0.00018   0.00224  -0.00115   0.00109  -3.11646
   D35       -3.11064   0.00003  -0.00242  -0.00796  -0.01039  -3.12104
   D36        0.03178  -0.00018   0.00066  -0.00510  -0.00445   0.02733
   D37        0.11055  -0.00008   0.00883   0.02472   0.03358   0.14413
   D38       -2.89620  -0.00044   0.00381   0.00307   0.00684  -2.88936
   D39        3.12306   0.00008   0.00854   0.02817   0.03675  -3.12338
   D40        0.11631  -0.00028   0.00351   0.00653   0.01000   0.12631
   D41        2.96480  -0.00006  -0.00338  -0.00956  -0.01293   2.95187
   D42       -0.14688   0.00014  -0.00570  -0.01063  -0.01633  -0.16322
   D43       -0.04805  -0.00002  -0.00313  -0.01257  -0.01567  -0.06372
   D44        3.12345   0.00018  -0.00545  -0.01364  -0.01907   3.10438
   D45       -0.64316   0.00057  -0.00604   0.00189  -0.00414  -0.64730
   D46       -3.06769  -0.00097   0.00629  -0.00652  -0.00033  -3.06802
   D47        2.35723   0.00102  -0.00073   0.02489   0.02416   2.38139
   D48       -0.06731  -0.00053   0.01160   0.01648   0.02798  -0.03933
   D49       -0.09651   0.00029  -0.00071   0.00304   0.00234  -0.09417
   D50        3.00729  -0.00023   0.00402  -0.00784  -0.00382   3.00347
   D51       -3.09678  -0.00021  -0.00587  -0.02006  -0.02594  -3.12272
   D52        0.00702  -0.00072  -0.00114  -0.03093  -0.03210  -0.02508
   D53        0.74353  -0.00022   0.00291  -0.00905  -0.00614   0.73739
   D54       -2.45739  -0.00060   0.00505  -0.00387   0.00126  -2.45613
   D55       -3.09213   0.00068  -0.00962   0.00023  -0.00940  -3.10153
   D56       -0.00986   0.00029  -0.00749   0.00541  -0.00200  -0.01186
   D57        2.41924   0.00129  -0.00898   0.01035   0.00135   2.42059
   D58       -1.00795   0.00105  -0.01337  -0.03056  -0.04351  -1.05146
   D59        0.02398   0.00035   0.00365   0.00207   0.00562   0.02960
   D60        2.87998   0.00012  -0.00074  -0.03884  -0.03924   2.84074
   D61        3.09608  -0.00103   0.00636  -0.00763  -0.00116   3.09493
   D62        0.01552  -0.00068   0.00418  -0.01321  -0.00900   0.00652
   D63       -0.04354   0.00026  -0.00005   0.00873   0.00870  -0.03484
   D64        3.14133   0.00027  -0.00162   0.00272   0.00111  -3.14074
   D65        3.06836   0.00010   0.00226   0.00998   0.01225   3.08062
   D66       -0.02995   0.00010   0.00069   0.00398   0.00466  -0.02529
   D67        0.06504  -0.00020   0.00290   0.00127   0.00418   0.06922
   D68       -3.05741   0.00007   0.00016   0.00407   0.00423  -3.05318
   D69       -3.12004  -0.00018   0.00443   0.00744   0.01188  -3.10816
   D70        0.04069   0.00009   0.00169   0.01024   0.01193   0.05262
   D71       -2.26350   0.00005  -0.00011  -0.00443  -0.00454  -2.26804
   D72        0.90746  -0.00010  -0.00262  -0.01610  -0.01872   0.88874
   D73        0.92204   0.00003  -0.00169  -0.01060  -0.01229   0.90975
   D74       -2.19019  -0.00012  -0.00420  -0.02227  -0.02647  -2.21666
   D75        0.00569  -0.00008  -0.00256  -0.00725  -0.00981  -0.00412
   D76       -3.09902   0.00042  -0.00711   0.00336  -0.00377  -3.10279
   D77        3.12807  -0.00035   0.00019  -0.01008  -0.00988   3.11819
   D78        0.02336   0.00014  -0.00435   0.00053  -0.00383   0.01952
   D79       -0.04415  -0.00053   0.00260  -0.00117   0.00142  -0.04274
   D80        3.13896  -0.00080   0.00015  -0.00638  -0.00634   3.13263
   D81       -2.90011   0.00203   0.00673   0.04543   0.05253  -2.84758
   D82        0.28300   0.00176   0.00427   0.04022   0.04478   0.32778
   D83        0.09644   0.00057   0.00851   0.02080   0.02917   0.12561
   D84       -2.15378   0.00435   0.00638   0.01806   0.02447  -2.12931
   D85        2.30682  -0.00095   0.01375   0.01138   0.02519   2.33201
   D86        2.95331  -0.00109   0.00446  -0.02324  -0.01889   2.93442
   D87        0.70309   0.00269   0.00233  -0.02598  -0.02359   0.67951
   D88       -1.11949  -0.00262   0.00970  -0.03266  -0.02286  -1.14235
   D89        0.05111   0.00022  -0.00632  -0.00646  -0.01275   0.03836
   D90       -3.08961   0.00002  -0.00381  -0.00076  -0.00455  -3.09415
   D91       -3.12974   0.00063  -0.00401  -0.00104  -0.00504  -3.13478
   D92        0.01272   0.00043  -0.00150   0.00465   0.00317   0.01589
   D93        3.10721  -0.00010   0.00385   0.00502   0.00888   3.11609
   D94       -0.05984   0.00008   0.00832   0.01472   0.02305  -0.03679
   D95        0.00670  -0.00037   0.00140  -0.00030   0.00106   0.00777
   D96        3.12284  -0.00020   0.00587   0.00940   0.01523   3.13807
   D97       -0.03657   0.00036   0.00287   0.01374   0.01661  -0.01996
   D98        3.10418   0.00056   0.00045   0.00826   0.00876   3.11294
   D99       -0.02013  -0.00024   0.00020  -0.00742  -0.00724  -0.02737
   D100       3.11838  -0.00016   0.00051  -0.00312  -0.00261   3.11577
   D101       3.12229  -0.00043   0.00258  -0.00204   0.00045   3.12274
   D102      -0.02239  -0.00035   0.00289   0.00226   0.00508  -0.01731
   D103      -0.01932   0.00009  -0.00001  -0.00151  -0.00150  -0.02082
   D104       3.11630   0.00006   0.00182   0.00153   0.00337   3.11967
   D105      -3.13636  -0.00008  -0.00431  -0.01082  -0.01514   3.13169
   D106      -0.00073  -0.00010  -0.00248  -0.00777  -0.01027  -0.01100
   D107       0.01197   0.00012  -0.00131  -0.00111  -0.00242   0.00956
   D108       3.14127   0.00010  -0.00139  -0.00035  -0.00175   3.13952
   D109      -3.12365   0.00014  -0.00314  -0.00415  -0.00729  -3.13093
   D110       0.00565   0.00012  -0.00322  -0.00340  -0.00662  -0.00097
   D111       0.00763  -0.00005   0.00121   0.00547   0.00666   0.01429
   D112      -3.13075  -0.00014   0.00089   0.00100   0.00184  -3.12891
   D113      -3.12163  -0.00003   0.00128   0.00473   0.00601  -3.11562
   D114       0.02317  -0.00011   0.00096   0.00026   0.00120   0.02437
   D115      -2.17635   0.00007  -0.00244  -0.01054  -0.01297  -2.18933
   D116       0.90916   0.00027  -0.00211   0.00108  -0.00102   0.90814
   D117       0.95264   0.00004  -0.00252  -0.00981  -0.01234   0.94030
   D118      -2.24503   0.00024  -0.00219   0.00181  -0.00038  -2.24542
   D119       3.13087   0.00003   0.00060   0.00267   0.00327   3.13415
   D120      -0.05510   0.00010  -0.00110   0.00083  -0.00027  -0.05537
   D121       0.00339  -0.00008   0.00089   0.00078   0.00167   0.00507
   D122       3.10061  -0.00001  -0.00081  -0.00106  -0.00187   3.09874
   D123      -3.12858  -0.00005  -0.00054  -0.00330  -0.00384  -3.13242
   D124      -0.02733   0.00003  -0.00316  -0.00637  -0.00953  -0.03686
   D125      -0.00105   0.00005  -0.00082  -0.00143  -0.00225  -0.00330
   D126       3.10020   0.00013  -0.00343  -0.00450  -0.00794   3.09226
   D127      -3.12086  -0.00023  -0.00101  -0.01217  -0.01316  -3.13403
   D128       0.05957  -0.00015  -0.00029  -0.00707  -0.00735   0.05222
   D129      -0.00432  -0.00010   0.00111  -0.00215  -0.00104  -0.00536
   D130      -3.10707  -0.00001   0.00183   0.00294   0.00477  -3.10230
   D131       3.12063   0.00019   0.00129   0.01133   0.01263   3.13326
   D132       0.01969   0.00021   0.00025   0.00914   0.00941   0.02909
   D133       0.00419   0.00007  -0.00088   0.00139   0.00050   0.00470
   D134      -3.09675   0.00009  -0.00191  -0.00080  -0.00272  -3.09947
   D135       3.09830   0.00012   0.00006   0.00741   0.00747   3.10577
   D136      -0.00908   0.00005   0.00068   0.00710   0.00777  -0.00131
   D137       0.00461  -0.00005  -0.00023  -0.00253  -0.00276   0.00185
   D138      -3.10277  -0.00012   0.00038  -0.00284  -0.00246  -3.10523
   D139      -3.09969  -0.00013   0.00007  -0.00724  -0.00717  -3.10686
   D140       0.07853  -0.00014   0.00073  -0.00640  -0.00567   0.07287
   D141      -0.00602   0.00005   0.00035   0.00272   0.00306  -0.00295
   D142      -3.11099   0.00004   0.00101   0.00356   0.00457  -3.10642
   D143       0.00276   0.00009  -0.00090   0.00206   0.00116   0.00392
   D144      -3.12451   0.00004   0.00029   0.00290   0.00319  -3.12132
   D145       3.10905   0.00001  -0.00155  -0.00255  -0.00410   3.10495
   D146      -0.01822  -0.00004  -0.00036  -0.00172  -0.00207  -0.02029
   D147       3.11855  -0.00008  -0.00038  -0.00440  -0.00478   3.11376
   D148      -0.01315  -0.00006  -0.00026  -0.00323  -0.00349  -0.01664
   D149       0.02016   0.00001   0.00043   0.00126   0.00168   0.02184
   D150      -3.11154   0.00003   0.00055   0.00244   0.00298  -3.10855
   D151      -0.00019  -0.00004   0.00035  -0.00119  -0.00084  -0.00103
   D152       3.11898   0.00005   0.00123   0.00376   0.00498   3.12396
   D153       3.12418   0.00002  -0.00108  -0.00218  -0.00325   3.12093
   D154      -0.03983   0.00011  -0.00021   0.00277   0.00257  -0.03726
   D155       0.00267   0.00005  -0.00002   0.00187   0.00184   0.00451
   D156       3.13779   0.00007  -0.00048   0.00165   0.00117   3.13896
   D157      -3.12000  -0.00002   0.00155   0.00295   0.00449  -3.11551
   D158       0.01512   0.00000   0.00109   0.00273   0.00382   0.01894
   D159      -0.00244  -0.00001   0.00032  -0.00011   0.00022  -0.00223
   D160       3.10237  -0.00002   0.00124   0.00195   0.00319   3.10555
   D161      -3.12536  -0.00009  -0.00042  -0.00421  -0.00462  -3.12998
   D162      -0.02054  -0.00009   0.00050  -0.00216  -0.00165  -0.02220
   D163      -3.11378   0.00001  -0.00175  -0.00403  -0.00579  -3.11957
   D164       0.02780  -0.00013  -0.00119  -0.00693  -0.00812   0.01968
   D165       0.00317   0.00011  -0.00079   0.00139   0.00060   0.00377
   D166      -3.13844  -0.00003  -0.00022  -0.00151  -0.00173  -3.14017
   D167       3.11950  -0.00003   0.00124   0.00342   0.00467   3.12417
   D168      -0.01350   0.00015   0.00190   0.00861   0.01052  -0.00298
   D169       0.02307  -0.00002   0.00010   0.00095   0.00105   0.02413
   D170      -3.10993   0.00016   0.00077   0.00614   0.00690  -3.10302
   D171      -0.00435   0.00008  -0.00062   0.00015  -0.00046  -0.00482
   D172       3.13384  -0.00008  -0.00132  -0.00647  -0.00779   3.12605
   D173      -3.10579   0.00002   0.00092   0.00183   0.00275  -3.10304
   D174       0.03241  -0.00014   0.00022  -0.00479  -0.00458   0.02782
   D175      -3.12146   0.00001   0.00153   0.00424   0.00577  -3.11569
   D176       0.00657   0.00006   0.00226   0.00844   0.01070   0.01727
   D177      -0.02915   0.00010  -0.00036   0.00220   0.00184  -0.02731
   D178       3.09888   0.00014   0.00037   0.00639   0.00677   3.10565
   D179       0.00365  -0.00005   0.00012  -0.00102  -0.00090   0.00275
   D180      -3.13082  -0.00001   0.00123   0.00352   0.00474  -3.12608
   D181      -3.13387   0.00014   0.00096   0.00692   0.00787  -3.12600
   D182       0.01484   0.00018   0.00207   0.01145   0.01351   0.02835
   D183      -0.01273   0.00009   0.00003   0.00416   0.00420  -0.00853
   D184       3.13892   0.00005  -0.00026   0.00079   0.00053   3.13945
   D185       3.12439  -0.00012  -0.00089  -0.00456  -0.00545   3.11894
   D186      -0.00715  -0.00016  -0.00118  -0.00794  -0.00912  -0.01626
   D187      -0.00163   0.00000   0.00043   0.00151   0.00194   0.00031
   D188      -3.10684  -0.00007   0.00278   0.00426   0.00704  -3.09980
   D189       3.13401  -0.00003  -0.00050  -0.00228  -0.00278   3.13123
   D190       0.02880  -0.00010   0.00185   0.00047   0.00232   0.03112
   D191       3.12220   0.00008  -0.00210  -0.00382  -0.00592   3.11628
   D192      -0.01163  -0.00003  -0.00165  -0.00537  -0.00702  -0.01865
   D193      -0.01156   0.00013  -0.00088   0.00117   0.00029  -0.01127
   D194       3.13779   0.00001  -0.00043  -0.00038  -0.00081   3.13698
   D195      -3.12197  -0.00011   0.00143   0.00113   0.00256  -3.11941
   D196       0.00621   0.00006   0.00074   0.00380   0.00454   0.01075
   D197      -0.02511  -0.00002  -0.00147  -0.00228  -0.00375  -0.02886
   D198       3.10307   0.00015  -0.00216   0.00040  -0.00177   3.10130
   D199      -0.00146   0.00003   0.00003   0.00137   0.00140  -0.00006
   D200      -3.13546   0.00004   0.00067   0.00321   0.00388  -3.13158
   D201       3.10911   0.00010  -0.00054   0.00166   0.00112   3.11023
   D202      -0.02489   0.00011   0.00010   0.00350   0.00360  -0.02129
   D203       3.12443   0.00001  -0.00051  -0.00319  -0.00370   3.12073
   D204      -0.01068  -0.00003  -0.00041  -0.00253  -0.00294  -0.01361
   D205       0.02088  -0.00008   0.00018  -0.00356  -0.00337   0.01750
   D206      -3.11423  -0.00012   0.00029  -0.00290  -0.00261  -3.11684
   D207      -0.00218   0.00000   0.00018   0.00029   0.00047  -0.00172
   D208       3.13781  -0.00015  -0.00083  -0.00789  -0.00873   3.12908
   D209       3.13029  -0.00001  -0.00059  -0.00191  -0.00251   3.12778
   D210      -0.01290  -0.00017  -0.00160  -0.01010  -0.01170  -0.02460
   D211       0.01090  -0.00006  -0.00038  -0.00057  -0.00095   0.00996
   D212      -3.13686  -0.00004  -0.00014  -0.00152  -0.00166  -3.13852
   D213      -3.12067  -0.00004   0.00047   0.00185   0.00232  -3.11835
   D214       0.01475  -0.00002   0.00071   0.00091   0.00161   0.01636
   D215       0.00505  -0.00003  -0.00032  -0.00184  -0.00217   0.00288
   D216       3.11343  -0.00001  -0.00094  -0.00261  -0.00355   3.10989
   D217      -3.13522   0.00010   0.00052   0.00497   0.00549  -3.12973
   D218      -0.02683   0.00012  -0.00010   0.00421   0.00411  -0.02272
   D219      -3.12892   0.00009   0.00110   0.00566   0.00677  -3.12215
   D220       0.00416   0.00013   0.00165   0.00773   0.00938   0.01354
   D221       0.01092  -0.00008  -0.00001  -0.00334  -0.00335   0.00758
   D222      -3.13919  -0.00004   0.00053  -0.00127  -0.00073  -3.13992
   D223       3.12494  -0.00005  -0.00061  -0.00354  -0.00414   3.12080
   D224      -0.00700  -0.00005  -0.00064  -0.00352  -0.00416  -0.01115
   D225       0.02402  -0.00007   0.00014  -0.00262  -0.00248   0.02154
   D226      -3.10791  -0.00008   0.00010  -0.00259  -0.00249  -3.11040
   D227       0.01068  -0.00003   0.00049   0.00052   0.00100   0.01168
   D228      -3.13851  -0.00009   0.00061  -0.00011   0.00051  -3.13800
   D229      -3.13090   0.00012  -0.00008   0.00342   0.00334  -3.12756
   D230       0.00310   0.00006   0.00004   0.00280   0.00284   0.00594
   D231      -0.00789  -0.00009   0.00013  -0.00176  -0.00163  -0.00952
   D232       3.12820  -0.00014   0.00113  -0.00071   0.00042   3.12862
   D233       3.14127  -0.00002   0.00000  -0.00113  -0.00113   3.14014
   D234      -0.00582  -0.00008   0.00100  -0.00008   0.00092  -0.00490
   D235      -0.00892   0.00010  -0.00041   0.00098   0.00057  -0.00835
   D236       3.12413  -0.00007  -0.00107  -0.00417  -0.00524   3.11888
   D237       3.13814   0.00016  -0.00141  -0.00006  -0.00147   3.13667
   D238      -0.01199  -0.00002  -0.00207  -0.00521  -0.00728  -0.01927
   D239      -0.00717   0.00001  -0.00012  -0.00102  -0.00114  -0.00830
   D240       3.14099  -0.00000   0.00036   0.00016   0.00052   3.14151
   D241       3.12458  -0.00001  -0.00024  -0.00219  -0.00243   3.12214
   D242      -0.01045  -0.00003   0.00024  -0.00102  -0.00078  -0.01123
   D243      -0.00787   0.00000  -0.00025   0.00124   0.00099  -0.00688
   D244      -3.14008  -0.00004  -0.00017  -0.00176  -0.00193   3.14118
   D245       3.12714   0.00001  -0.00074   0.00005  -0.00068   3.12646
   D246      -0.00508  -0.00003  -0.00065  -0.00294  -0.00360  -0.00867
   D247       0.01002  -0.00003   0.00032  -0.00165  -0.00133   0.00869
   D248      -3.12509  -0.00005   0.00078  -0.00143  -0.00065  -3.12574
   D249      -3.14097   0.00001   0.00024   0.00135   0.00159  -3.13938
   D250       0.00711  -0.00001   0.00070   0.00156   0.00226   0.00937
   D251      -0.00814  -0.00004  -0.00041  -0.00096  -0.00137  -0.00951
   D252       3.14094  -0.00014   0.00008  -0.00404  -0.00396   3.13698
   D253       3.12567   0.00008  -0.00086   0.00059  -0.00026   3.12541
   D254      -0.00844  -0.00002  -0.00037  -0.00248  -0.00285  -0.01129
   D255       0.01167  -0.00008   0.00078  -0.00091  -0.00013   0.01154
   D256      -3.12773  -0.00018   0.00253  -0.00085   0.00168  -3.12605
   D257      -3.13739   0.00002   0.00030   0.00215   0.00245  -3.13494
   D258       0.00641  -0.00008   0.00205   0.00221   0.00426   0.01067
   D259       0.00499   0.00011   0.00016   0.00250   0.00266   0.00764
   D260      -3.12332  -0.00006   0.00084  -0.00015   0.00069  -3.12263
   D261      -3.13879   0.00021  -0.00157   0.00243   0.00086  -3.13793
   D262       0.01609   0.00005  -0.00090  -0.00022  -0.00111   0.01498
   D263       0.00718  -0.00001   0.00027   0.00094   0.00120   0.00838
   D264      -3.14018  -0.00000   0.00048   0.00154   0.00202  -3.13816
   D265      -3.12092  -0.00006  -0.00046  -0.00326  -0.00371  -3.12463
   D266       0.01490  -0.00005  -0.00025  -0.00266  -0.00290   0.01200
   D267       0.01173  -0.00004  -0.00003  -0.00149  -0.00152   0.01022
   D268      -3.13532  -0.00007  -0.00024  -0.00287  -0.00311  -3.13843
   D269      -3.12406  -0.00005  -0.00024  -0.00210  -0.00234  -3.12639
   D270       0.01208  -0.00008  -0.00046  -0.00348  -0.00394   0.00814
   D271      -0.00872  -0.00000  -0.00012  -0.00113  -0.00125  -0.00997
   D272       3.12280   0.00004   0.00017   0.00225   0.00242   3.12522
   D273       3.13835   0.00003   0.00009   0.00026   0.00035   3.13870
   D274      -0.01332   0.00007   0.00039   0.00364   0.00402  -0.00930
   D275       0.00655   0.00002   0.00007   0.00106   0.00113   0.00768
   D276      -3.13779  -0.00005   0.00035  -0.00147  -0.00112  -3.13891
   D277      -3.12650  -0.00002  -0.00048  -0.00102  -0.00150  -3.12800
   D278       0.01234  -0.00009  -0.00019  -0.00355  -0.00374   0.00860
   D279      -0.00916   0.00002  -0.00002   0.00050   0.00048  -0.00867
   D280       3.12851  -0.00001   0.00003  -0.00118  -0.00116   3.12735
   D281       3.13518   0.00009  -0.00031   0.00303   0.00272   3.13790
   D282      -0.01034   0.00006  -0.00026   0.00134   0.00108  -0.00926
   D283      -0.00609   0.00000  -0.00008   0.00026   0.00018  -0.00591
   D284       3.12589   0.00000  -0.00005   0.00024   0.00019   3.12608
   D285       3.13941   0.00003  -0.00012   0.00194   0.00181   3.14123
   D286      -0.01179   0.00004  -0.00009   0.00191   0.00182  -0.00997
   D287      -0.00358  -0.00000  -0.00019   0.00079   0.00060  -0.00298
   D288       3.14129  -0.00003   0.00029  -0.00004   0.00025   3.14153
   D289       3.13157   0.00003  -0.00029   0.00013  -0.00016   3.13141
   D290      -0.00675   0.00000   0.00018  -0.00070  -0.00051  -0.00727
   D291      -0.00982   0.00005  -0.00008   0.00205   0.00197  -0.00785
   D292       3.13524   0.00004  -0.00046  -0.00014  -0.00060   3.13464
   D293       3.12848   0.00008  -0.00056   0.00288   0.00233   3.13081
   D294      -0.00964   0.00007  -0.00094   0.00070  -0.00024  -0.00988
   D295       0.00593  -0.00001   0.00036  -0.00212  -0.00175   0.00418
   D296      -3.12947  -0.00003   0.00013  -0.00117  -0.00105  -3.13052
   D297      -3.13914  -0.00000   0.00074   0.00007   0.00082  -3.13832
   D298       0.00864  -0.00003   0.00051   0.00102   0.00152   0.01017
   D299       1.62874  -0.00545   0.00504   0.04998   0.05498   1.68371
   D300      -0.59227  -0.00147   0.00082   0.03198   0.03278  -0.55948
   D301      -2.88943   0.00362  -0.00408   0.07198   0.06796  -2.82147
   D302       2.74415   0.00075   0.04790   0.10768   0.15580   2.89995
   D303      -1.40366   0.00332   0.05288   0.13510   0.18770  -1.21596
   D304       0.86012   0.00118   0.05543   0.10782   0.16331   1.02344
   D305      -2.25232   0.00109  -0.00150  -0.05907  -0.06058  -2.31290
   D306      -0.12830   0.00191  -0.00064  -0.05777  -0.05838  -0.18668
   D307       1.92436   0.00060  -0.00215  -0.05824  -0.06039   1.86397
   D308       2.05465  -0.00048  -0.01611  -0.00246  -0.01856   2.03609
   D309      -2.13241  -0.00066  -0.01597   0.00366  -0.01232  -2.14473
   D310      -0.10636   0.00065  -0.01902   0.00674  -0.01228  -0.11864
   D311      -3.10619  -0.00181   0.00162   0.02020   0.02182  -3.08437
   D312      -1.01785  -0.00182   0.00155   0.01957   0.02110  -0.99675
   D313       1.10424  -0.00191   0.00009   0.01321   0.01330   1.11754
   D314       1.09713   0.00182   0.00506   0.01557   0.02065   1.11778
   D315      -3.09772   0.00181   0.00499   0.01493   0.01993  -3.07779
   D316      -0.97562   0.00172   0.00353   0.00858   0.01213  -0.96350
   D317      -1.06886   0.00037   0.00290   0.01545   0.01835  -1.05051
   D318       1.01947   0.00035   0.00284   0.01481   0.01763   1.03711
   D319       3.14157   0.00027   0.00138   0.00846   0.00983  -3.13179
   D320      -1.06182   0.00290   0.00226   0.07422   0.07650  -0.98532
   D321       1.02514   0.00276  -0.00011   0.07590   0.07578   1.10092
   D322      -3.06949   0.00356   0.00253   0.07713   0.07965  -2.98983
   D323       2.96906   0.00077   0.00833   0.05899   0.06732   3.03638
   D324      -1.21755   0.00069   0.00754   0.05511   0.06265  -1.15489
   D325       0.88787   0.00073   0.00766   0.05509   0.06275   0.95062
   D326       0.94244  -0.00013   0.01104   0.04596   0.05700   0.99944
   D327       3.03902  -0.00022   0.01024   0.04208   0.05234   3.09136
   D328      -1.13875  -0.00018   0.01037   0.04206   0.05243  -1.08632
   D329      -1.18132   0.00035   0.01214   0.05801   0.07015  -1.11118
   D330       0.91525   0.00027   0.01135   0.05413   0.06548   0.98074
   D331       3.02067   0.00030   0.01148   0.05411   0.06558   3.08625
         Item               Value     Threshold  Converged?
 Maximum Force            0.009890     0.000450     NO 
 RMS     Force            0.001057     0.000300     NO 
 Maximum Displacement     0.765235     0.001800     NO 
 RMS     Displacement     0.109842     0.001200     NO 
 Predicted change in Energy=-1.916303D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.623055    3.226030    0.150814
      2          6           0       -2.777624    1.844739    0.296950
      3          6           0       -1.671791    0.987623    0.245872
      4          6           0       -0.382102    1.543712    0.103015
      5          6           0       -0.234921    2.928542   -0.056569
      6          6           0       -1.340468    3.765611   -0.044893
      7          6           0       -1.803618   -0.483351    0.197486
      8          6           0       -0.665530   -1.308628    0.382769
      9          6           0        0.620029   -0.665926    0.811518
     10          6           0        0.804651    0.677321    0.168926
     11          6           0       -3.016420   -1.071754   -0.181242
     12          6           0       -3.108666   -2.438130   -0.452079
     13          6           0       -1.953865   -3.226424   -0.382755
     14          6           0       -0.755701   -2.661987    0.031825
     15          7           0        1.788635   -1.469697    0.912312
     16          6           0        3.031955   -0.952132    0.445856
     17          6           0        3.056753    0.331334   -0.153961
     18          7           0        1.934816    1.123773   -0.267569
     19          6           0        4.248233   -1.658436    0.507881
     20          6           0        5.422898   -1.112869    0.009548
     21          6           0        5.439962    0.154328   -0.598244
     22          6           0        4.248350    0.859392   -0.679757
     23          7           0       -3.756524    4.070267    0.184406
     24          7           0       -4.346250   -3.007577   -0.833954
     25          7           0        6.646668    0.698254   -1.099444
     26          6           0       -4.929163   -4.148460   -0.261839
     27          6           0       -6.158198   -4.412142   -0.916349
     28          6           0       -6.324584   -3.391517   -1.930879
     29          6           0       -5.190283   -2.543904   -1.854359
     30          6           0       -3.889952    5.242320    0.946067
     31          6           0       -5.166090    5.807078    0.698211
     32          6           0       -5.831720    4.946312   -0.257445
     33          6           0       -4.938089    3.887171   -0.553620
     34          6           0        7.187811    1.948531   -0.759708
     35          6           0        8.425150    2.110652   -1.431795
     36          6           0        8.643158    0.909143   -2.211016
     37          6           0        7.530541    0.060930   -1.981022
     38          6           0       -7.311554   -3.139007   -2.890502
     39          6           0       -7.156710   -2.059880   -3.756145
     40          6           0       -6.017840   -1.240927   -3.679153
     41          6           0       -5.018861   -1.471915   -2.734889
     42          6           0       -4.484619   -4.929284    0.808822
     43          6           0       -5.282413   -6.002224    1.200035
     44          6           0       -6.496488   -6.288515    0.552430
     45          6           0       -6.941534   -5.495576   -0.500995
     46          6           0       -7.082365    4.992168   -0.884444
     47          6           0       -7.419322    4.000022   -1.800086
     48          6           0       -6.512381    2.970243   -2.101763
     49          6           0       -5.262567    2.900955   -1.489876
     50          6           0       -3.004826    5.811046    1.866063
     51          6           0       -3.404646    6.978410    2.513445
     52          6           0       -4.656938    7.563595    2.262813
     53          6           0       -5.543066    6.979976    1.361978
     54          6           0        9.661140    0.491912   -3.076117
     55          6           0        9.554374   -0.747291   -3.701224
     56          6           0        8.435781   -1.567194   -3.475999
     57          6           0        7.408866   -1.176395   -2.618971
     58          6           0        6.694808    2.921540    0.113624
     59          6           0        7.453613    4.076841    0.289306
     60          6           0        8.674360    4.262286   -0.381926
     61          6           0        9.165550    3.283304   -1.240277
     62          8           0        0.459752   -3.102511    2.665575
     63         15           0        1.767633   -2.829278    2.043000
     64          8           0        2.986723   -2.561404    3.048527
     65          8           0        2.393572   -3.945360    1.069148
     66          6           0        2.740034   -1.908499    4.351151
     67          6           0        3.764520   -0.808735    4.539517
     68          6           0        2.871634   -5.208098    1.622105
     69          6           0        2.050967   -6.359260    1.071173
     70          1           0       -3.770867    1.447513    0.462137
     71          1           0        0.763200    3.330153   -0.187284
     72          1           0       -1.225126    4.833112   -0.191758
     73          1           0       -3.902836   -0.460772   -0.293258
     74          1           0       -1.995808   -4.270441   -0.670200
     75          1           0        0.123966   -3.288344    0.039175
     76          1           0        4.300690   -2.636245    0.952946
     77          1           0        6.346789   -1.675155    0.091572
     78          1           0        4.198912    1.835584   -1.147822
     79          1           0       -8.186099   -3.779427   -2.959248
     80          1           0       -7.917243   -1.852291   -4.502216
     81          1           0       -5.907953   -0.411226   -4.370019
     82          1           0       -4.134101   -0.846205   -2.698044
     83          1           0       -3.558805   -4.705007    1.325244
     84          1           0       -4.959395   -6.624451    2.029161
     85          1           0       -7.093734   -7.132754    0.882550
     86          1           0       -7.887055   -5.708964   -0.991153
     87          1           0       -7.776543    5.796422   -0.661977
     88          1           0       -8.387697    4.022116   -2.289664
     89          1           0       -6.783683    2.211199   -2.829065
     90          1           0       -4.566674    2.110599   -1.745649
     91          1           0       -2.042804    5.359760    2.078770
     92          1           0       -2.731839    7.439890    3.230081
     93          1           0       -4.936659    8.475038    2.781957
     94          1           0       -6.517275    7.424359    1.179767
     95          1           0       10.520102    1.130345   -3.260642
     96          1           0       10.338708   -1.082837   -4.372328
     97          1           0        8.363849   -2.524695   -3.982898
     98          1           0        6.542433   -1.809225   -2.462086
     99          1           0        5.758766    2.783748    0.643283
    100          1           0        7.091653    4.847899    0.962898
    101          1           0        9.237423    5.177564   -0.227129
    102          1           0       10.113884    3.422721   -1.750751
    103          1           0        1.719512   -1.524143    4.347579
    104          1           0        2.835769   -2.697416    5.101125
    105          1           0        3.631479   -0.353544    5.526867
    106          1           0        4.782281   -1.201369    4.476392
    107          1           0        3.636084   -0.032355    3.781818
    108          1           0        3.921455   -5.280986    1.319647
    109          1           0        2.838136   -5.172606    2.713516
    110          1           0        2.476855   -7.311895    1.401380
    111          1           0        1.017055   -6.301863    1.422195
    112          1           0        2.051591   -6.344041   -0.021792
    113         17           0        0.347196    0.169462    2.742815
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0352312           0.0181914           0.0141603
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10688.3290037273 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.65D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999927   -0.010456   -0.001049    0.005898 Ang=  -1.38 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48404959     A.U. after   13 cycles
            NFock= 13  Conv=0.35D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000819009   -0.000849142   -0.000019081
      2        6           0.000727771    0.000373096   -0.000294932
      3        6           0.000980612   -0.000553554   -0.000904440
      4        6          -0.001104956   -0.000452657    0.001077887
      5        6          -0.000043911   -0.000545854   -0.000031363
      6        6          -0.000357981   -0.000500097   -0.000456596
      7        6          -0.000149494    0.001043844   -0.000352744
      8        6           0.001221125    0.001624709    0.001189919
      9        6           0.002009128    0.003368873    0.000345435
     10        6           0.002534721    0.001247911   -0.007148306
     11        6           0.000409042   -0.000356923    0.000446208
     12        6          -0.000236125    0.000366429    0.000549725
     13        6          -0.000186906   -0.000005241    0.000167240
     14        6           0.000096810   -0.000407116    0.001497366
     15        7          -0.004301234   -0.003145334   -0.002053180
     16        6           0.003483237    0.002381336   -0.000715837
     17        6           0.002515106   -0.001542989    0.000082463
     18        7          -0.005590091    0.000191740    0.001416498
     19        6          -0.002622507    0.000582802    0.000017076
     20        6           0.000794234    0.001901120   -0.001322054
     21        6           0.000146962   -0.002465791    0.001131596
     22        6          -0.000939582   -0.000462704    0.000709226
     23        7          -0.001450038    0.000740436   -0.000481105
     24        7           0.000435280   -0.000189187   -0.000896409
     25        7           0.002137646    0.001574337   -0.000354688
     26        6          -0.000119720    0.000411909    0.000029965
     27        6          -0.000236227   -0.000169569    0.000393144
     28        6           0.000295119   -0.000052450   -0.000215338
     29        6          -0.000104166   -0.000067553    0.000500653
     30        6          -0.000206157   -0.001240342    0.000033398
     31        6           0.000143020    0.000278380   -0.000019374
     32        6          -0.000437316   -0.000093370    0.000138657
     33        6           0.000967113    0.000540001    0.000184872
     34        6          -0.000596415   -0.001863234   -0.000204296
     35        6           0.000198096    0.000199593   -0.000240675
     36        6           0.000109706    0.000170070    0.000135087
     37        6          -0.001097993    0.000559096    0.000442704
     38        6          -0.000018058    0.000341422    0.000107590
     39        6           0.000151187   -0.000218674    0.000258088
     40        6          -0.000016391   -0.000435399    0.000550473
     41        6          -0.000027777   -0.000103868   -0.000083401
     42        6          -0.000530543   -0.000041983   -0.000524531
     43        6          -0.000370762    0.000035401   -0.000068344
     44        6           0.000236074    0.000036692   -0.000090340
     45        6           0.000195331    0.000188955   -0.000069355
     46        6           0.000614926   -0.000188510   -0.000111935
     47        6           0.000292413   -0.000260869    0.000035214
     48        6           0.000072361    0.000555137    0.000044099
     49        6          -0.000269581    0.000182471    0.000099685
     50        6          -0.000255537    0.000316676   -0.000118198
     51        6          -0.000045579   -0.000159729   -0.000135270
     52        6          -0.000169211   -0.000042150   -0.000133478
     53        6           0.000238266    0.000013061    0.000166175
     54        6          -0.000278273   -0.000297490   -0.000085620
     55        6          -0.000001448    0.000159698    0.000244509
     56        6          -0.000137025    0.000174653    0.000155135
     57        6           0.000318109   -0.000063359   -0.000226903
     58        6           0.000277955    0.000220812    0.000054266
     59        6           0.000110651   -0.000056819   -0.000033256
     60        6          -0.000298767    0.000046737   -0.000129933
     61        6          -0.000172768   -0.000283682    0.000221125
     62        8           0.000433486    0.000190992   -0.001262674
     63       15           0.003725978    0.003061014   -0.002164167
     64        8          -0.001685051    0.001291720    0.003110421
     65        8          -0.001431487   -0.000192365    0.001301966
     66        6           0.000883623   -0.000946714   -0.004517400
     67        6          -0.000933691   -0.000369149    0.000372473
     68        6           0.001128088   -0.000856894   -0.001169245
     69        6          -0.000809898    0.000946507    0.000259056
     70        1          -0.000274697    0.000269668    0.000614763
     71        1          -0.000022242   -0.000092663   -0.000040608
     72        1           0.000118648    0.000277118    0.000098077
     73        1          -0.000023124   -0.000145679   -0.000547447
     74        1           0.000092539   -0.000178708   -0.000068654
     75        1           0.000831433   -0.000027703   -0.000125475
     76        1          -0.000808748   -0.001707826    0.000782308
     77        1          -0.000163214   -0.000029574    0.000400470
     78        1          -0.000236313   -0.000236346   -0.000056729
     79        1           0.000028313   -0.000056225   -0.000045815
     80        1          -0.000065871    0.000033753   -0.000025374
     81        1           0.000148984    0.000288005   -0.000640659
     82        1          -0.000117283   -0.000046251   -0.000013450
     83        1           0.000373264    0.000054224    0.000229407
     84        1           0.000051200   -0.000075403    0.000030634
     85        1          -0.000028697    0.000008993    0.000041390
     86        1           0.000015281   -0.000041787   -0.000022022
     87        1          -0.000410729    0.000305251    0.000103637
     88        1          -0.000120372    0.000061326   -0.000102272
     89        1          -0.000200917   -0.000357791    0.000199850
     90        1           0.000106432   -0.000051092    0.000132657
     91        1           0.000116178   -0.000100277    0.000080954
     92        1          -0.000049947    0.000049128    0.000028935
     93        1           0.000009720   -0.000029547    0.000042667
     94        1          -0.000012623    0.000032226    0.000018128
     95        1           0.000111082    0.000072504   -0.000032944
     96        1           0.000016027   -0.000012411   -0.000138042
     97        1           0.000091914   -0.000145813   -0.000099711
     98        1           0.000040601    0.000002158    0.000006090
     99        1           0.000077254    0.000047919   -0.000131123
    100        1          -0.000036895    0.000071562   -0.000038465
    101        1           0.000039968   -0.000126848    0.000061573
    102        1           0.000141622    0.000060767   -0.000091112
    103        1           0.000623190   -0.000029829    0.002914367
    104        1          -0.000250533    0.000032757    0.000420836
    105        1          -0.000106885   -0.000037551   -0.000314997
    106        1           0.000576241   -0.000208514   -0.000149451
    107        1           0.000019260    0.000266186    0.000212593
    108        1          -0.000571339   -0.000458971    0.000184072
    109        1          -0.000112154   -0.000386574    0.000449699
    110        1           0.000230149   -0.000004159    0.000358843
    111        1           0.000003788    0.000176476   -0.000124132
    112        1           0.000128227   -0.000004121   -0.000280520
    113       17          -0.001848260   -0.003355220    0.004842126
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007148306 RMS     0.001037901

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.026355409 RMS     0.002220293
 Search for a local minimum.
 Step number  22 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   21   22
 DE= -1.10D-03 DEPred=-1.92D-03 R= 5.72D-01
 TightC=F SS=  1.41D+00  RLast= 4.68D-01 DXNew= 4.2976D+00 1.4036D+00
 Trust test= 5.72D-01 RLast= 4.68D-01 DXMaxT set to 2.56D+00
 ITU=  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0
 ITU=  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00108   0.00419   0.00754   0.00961   0.01156
     Eigenvalues ---    0.01253   0.01722   0.01876   0.02424   0.02429
     Eigenvalues ---    0.02485   0.02540   0.02554   0.02576   0.02591
     Eigenvalues ---    0.02608   0.02636   0.02679   0.02681   0.02697
     Eigenvalues ---    0.02701   0.02709   0.02717   0.02717   0.02748
     Eigenvalues ---    0.02755   0.02772   0.02790   0.02793   0.02802
     Eigenvalues ---    0.02806   0.02811   0.02813   0.02817   0.02827
     Eigenvalues ---    0.02847   0.02851   0.02862   0.02871   0.02871
     Eigenvalues ---    0.02876   0.02887   0.02890   0.02898   0.02902
     Eigenvalues ---    0.02904   0.02908   0.02914   0.02917   0.02918
     Eigenvalues ---    0.02924   0.02927   0.02935   0.02947   0.02949
     Eigenvalues ---    0.02950   0.02951   0.02952   0.02955   0.02961
     Eigenvalues ---    0.02964   0.02965   0.02966   0.02969   0.02976
     Eigenvalues ---    0.02984   0.02991   0.02991   0.02996   0.03000
     Eigenvalues ---    0.03014   0.03019   0.03030   0.03045   0.03059
     Eigenvalues ---    0.03059   0.03063   0.03069   0.03078   0.03093
     Eigenvalues ---    0.03102   0.03111   0.03116   0.03132   0.03140
     Eigenvalues ---    0.03158   0.03164   0.03175   0.03178   0.03183
     Eigenvalues ---    0.03225   0.03242   0.03248   0.03277   0.03319
     Eigenvalues ---    0.03364   0.03472   0.03670   0.04297   0.05186
     Eigenvalues ---    0.05329   0.05732   0.05748   0.05857   0.05911
     Eigenvalues ---    0.05933   0.06148   0.06783   0.08508   0.11371
     Eigenvalues ---    0.11552   0.11877   0.12492   0.13723   0.14110
     Eigenvalues ---    0.15013   0.15856   0.15942   0.15974   0.15992
     Eigenvalues ---    0.15995   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16001   0.16003   0.16004   0.16010
     Eigenvalues ---    0.16028   0.16048   0.16062   0.16104   0.17830
     Eigenvalues ---    0.19596   0.19983   0.21206   0.21587   0.21952
     Eigenvalues ---    0.21997   0.21999   0.22000   0.22001   0.22004
     Eigenvalues ---    0.22236   0.22421   0.22471   0.22516   0.22592
     Eigenvalues ---    0.22598   0.22607   0.22619   0.22667   0.22686
     Eigenvalues ---    0.23278   0.23434   0.23546   0.23675   0.23845
     Eigenvalues ---    0.24209   0.24396   0.24466   0.24483   0.24515
     Eigenvalues ---    0.24519   0.24525   0.24554   0.24717   0.24883
     Eigenvalues ---    0.24911   0.24961   0.24964   0.24978   0.24978
     Eigenvalues ---    0.24982   0.24984   0.24986   0.24996   0.25044
     Eigenvalues ---    0.25113   0.25498   0.25773   0.26279   0.26550
     Eigenvalues ---    0.26915   0.27147   0.28049   0.28744   0.28851
     Eigenvalues ---    0.29137   0.29328   0.29625   0.29727   0.29869
     Eigenvalues ---    0.30287   0.30556   0.30664   0.30722   0.30863
     Eigenvalues ---    0.30960   0.31146   0.31232   0.31294   0.31382
     Eigenvalues ---    0.31475   0.31595   0.31961   0.32141   0.32233
     Eigenvalues ---    0.32697   0.32945   0.33161   0.33581   0.33966
     Eigenvalues ---    0.34070   0.34166   0.34317   0.34498   0.34671
     Eigenvalues ---    0.34938   0.35155   0.35306   0.35499   0.35591
     Eigenvalues ---    0.35866   0.36389   0.36778   0.37135   0.37309
     Eigenvalues ---    0.39022   0.40204   0.41489   0.41541   0.42045
     Eigenvalues ---    0.42733   0.43331   0.43436   0.45173   0.45391
     Eigenvalues ---    0.46602   0.47093   0.47104   0.47189   0.47646
     Eigenvalues ---    0.47727   0.48328   0.49840   0.50104   0.50442
     Eigenvalues ---    0.50592   0.50659   0.51666   0.51950   0.52093
     Eigenvalues ---    0.52245   0.52610   0.52984   0.53108   0.53265
     Eigenvalues ---    0.53582   0.53803   0.54291   0.54345   0.55012
     Eigenvalues ---    0.55088   0.55286   0.55599   0.55655   0.55921
     Eigenvalues ---    0.56125   0.56190   0.56373   0.56453   0.56760
     Eigenvalues ---    0.56932   0.57136   0.57161   0.57871   0.58106
     Eigenvalues ---    0.58233   0.58280   0.58324   0.58471   0.58581
     Eigenvalues ---    0.58670   0.58925   0.59220   0.59444   0.59714
     Eigenvalues ---    0.59811   0.60131   0.60640   0.60894   0.61711
     Eigenvalues ---    0.62372   0.63264   0.63580   0.64463   0.65219
     Eigenvalues ---    0.65976   0.66773   0.67806   0.68872   0.72021
     Eigenvalues ---    0.73187   0.74195   0.74647   0.80087   0.81447
     Eigenvalues ---    0.85522   0.92070   2.80955
 RFO step:  Lambda=-3.14793412D-03 EMin= 1.07618116D-03
 Quartic linear search produced a step of -0.23841.
 Iteration  1 RMS(Cart)=  0.08491078 RMS(Int)=  0.00288174
 Iteration  2 RMS(Cart)=  0.00679326 RMS(Int)=  0.00004354
 Iteration  3 RMS(Cart)=  0.00004834 RMS(Int)=  0.00003937
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003937
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64103  -0.00049   0.00021  -0.00031  -0.00009   2.64094
    R2        2.65537  -0.00033  -0.00028  -0.00029  -0.00057   2.65480
    R3        2.67155   0.00122   0.00062  -0.00071  -0.00009   2.67146
    R4        2.64570   0.00021  -0.00070   0.00048  -0.00022   2.64548
    R5        2.04545   0.00021   0.00035  -0.00011   0.00024   2.04570
    R6        2.66776  -0.00061  -0.00044  -0.00052  -0.00101   2.66674
    R7        2.79238  -0.00054  -0.00129   0.00203   0.00074   2.79312
    R8        2.64891  -0.00066  -0.00041  -0.00006  -0.00047   2.64844
    R9        2.77948   0.00006   0.00093  -0.00287  -0.00198   2.77750
   R10        2.62057  -0.00009   0.00046  -0.00027   0.00019   2.62075
   R11        2.04809  -0.00006   0.00005   0.00015   0.00020   2.04829
   R12        2.04792   0.00027   0.00024   0.00013   0.00037   2.04829
   R13        2.67959  -0.00057  -0.00075  -0.00024  -0.00096   2.67863
   R14        2.64598   0.00008  -0.00041   0.00016  -0.00026   2.64572
   R15        2.83431  -0.00358  -0.00233   0.01062   0.00832   2.84263
   R16        2.64756  -0.00028   0.00026  -0.00223  -0.00196   2.64559
   R17        2.83542   0.00153  -0.00077   0.00752   0.00684   2.84226
   R18        2.68703  -0.00136  -0.00499   0.01587   0.01092   2.69796
   R19        2.43996  -0.00336  -0.00012  -0.00591  -0.00602   2.43394
   R20        2.63808   0.00015  -0.00006   0.00024   0.00018   2.63826
   R21        2.04543  -0.00004   0.00022  -0.00029  -0.00007   2.04536
   R22        2.64547   0.00009   0.00002  -0.00268  -0.00266   2.64281
   R23        2.67362  -0.00006   0.00035   0.00021   0.00056   2.67418
   R24        2.62261  -0.00017   0.00002   0.00248   0.00251   2.62512
   R25        2.04785   0.00020   0.00011   0.00061   0.00071   2.04857
   R26        2.04072   0.00075   0.00045  -0.00170  -0.00125   2.03947
   R27        2.69331   0.00031  -0.00087   0.00542   0.00454   2.69785
   R28        3.34186   0.00326  -0.00229   0.00152  -0.00076   3.34109
   R29        2.67760  -0.00184  -0.00124  -0.00097  -0.00228   2.67532
   R30        2.66045  -0.00254  -0.00121  -0.00043  -0.00165   2.65880
   R31        2.60454   0.00278   0.00159   0.00284   0.00438   2.60892
   R32        2.65586  -0.00066  -0.00111   0.00057  -0.00054   2.65532
   R33        2.62244   0.00064   0.00042   0.00141   0.00183   2.62428
   R34        2.03262   0.00171   0.00083   0.00063   0.00146   2.03408
   R35        2.65605  -0.00151  -0.00060  -0.00204  -0.00262   2.65343
   R36        2.04969  -0.00014  -0.00005  -0.00035  -0.00040   2.04930
   R37        2.62100   0.00154   0.00089   0.00070   0.00160   2.62260
   R38        2.67461   0.00126   0.00015   0.00192   0.00207   2.67668
   R39        2.04796  -0.00016  -0.00010  -0.00005  -0.00015   2.04781
   R40        2.65346  -0.00046  -0.00014  -0.00066  -0.00080   2.65266
   R41        2.65525  -0.00077  -0.00046  -0.00002  -0.00048   2.65477
   R42        2.65149  -0.00008  -0.00024  -0.00081  -0.00105   2.65044
   R43        2.65142  -0.00027  -0.00030  -0.00116  -0.00147   2.64995
   R44        2.65333  -0.00135  -0.00033  -0.00195  -0.00228   2.65106
   R45        2.64871  -0.00064   0.00004  -0.00170  -0.00166   2.64705
   R46        2.67811  -0.00012   0.00000   0.00045   0.00045   2.67856
   R47        2.64131  -0.00020  -0.00007  -0.00022  -0.00029   2.64102
   R48        2.73758  -0.00028  -0.00009  -0.00057  -0.00065   2.73693
   R49        2.64559  -0.00029  -0.00011  -0.00027  -0.00038   2.64521
   R50        2.67978  -0.00019  -0.00000  -0.00026  -0.00026   2.67951
   R51        2.64477  -0.00017  -0.00020   0.00073   0.00052   2.64529
   R52        2.64148  -0.00008  -0.00012   0.00049   0.00038   2.64186
   R53        2.67842  -0.00010  -0.00002  -0.00050  -0.00052   2.67790
   R54        2.64108  -0.00003  -0.00005   0.00020   0.00015   2.64124
   R55        2.73669  -0.00028  -0.00017   0.00007  -0.00010   2.73659
   R56        2.64453  -0.00004  -0.00002   0.00001  -0.00001   2.64452
   R57        2.67787   0.00018   0.00005   0.00017   0.00021   2.67808
   R58        2.64517  -0.00022  -0.00006  -0.00026  -0.00033   2.64484
   R59        2.64189  -0.00029  -0.00015   0.00003  -0.00012   2.64177
   R60        2.67848   0.00014   0.00002   0.00028   0.00029   2.67877
   R61        2.64055   0.00003  -0.00008   0.00044   0.00035   2.64091
   R62        2.73739  -0.00048  -0.00013  -0.00078  -0.00090   2.73648
   R63        2.64561  -0.00024  -0.00024   0.00044   0.00020   2.64581
   R64        2.67934  -0.00004  -0.00017   0.00066   0.00050   2.67983
   R65        2.64479  -0.00007  -0.00005   0.00011   0.00007   2.64485
   R66        2.64072   0.00020  -0.00002   0.00070   0.00068   2.64140
   R67        2.63061  -0.00034  -0.00001  -0.00078  -0.00079   2.62982
   R68        2.05250   0.00002   0.00006  -0.00010  -0.00004   2.05246
   R69        2.65480  -0.00013  -0.00015   0.00074   0.00060   2.65540
   R70        2.05114   0.00007  -0.00001   0.00056   0.00055   2.05168
   R71        2.63408  -0.00014  -0.00016   0.00026   0.00010   2.63418
   R72        2.05083   0.00060   0.00029   0.00088   0.00118   2.05201
   R73        2.04900  -0.00012  -0.00003   0.00012   0.00009   2.04909
   R74        2.63257   0.00007   0.00000  -0.00004  -0.00004   2.63254
   R75        2.04765   0.00044  -0.00004   0.00202   0.00198   2.04963
   R76        2.65594  -0.00032  -0.00016   0.00016  -0.00000   2.65594
   R77        2.05186   0.00009   0.00008   0.00004   0.00012   2.05198
   R78        2.62972  -0.00019  -0.00006  -0.00004  -0.00010   2.62962
   R79        2.05140   0.00002   0.00000   0.00014   0.00014   2.05154
   R80        2.05259   0.00001   0.00003   0.00001   0.00004   2.05263
   R81        2.62957  -0.00007  -0.00007   0.00045   0.00038   2.62995
   R82        2.05120   0.00052   0.00017   0.00113   0.00130   2.05250
   R83        2.65505  -0.00030  -0.00007  -0.00039  -0.00046   2.65459
   R84        2.05096   0.00015   0.00013   0.00002   0.00015   2.05111
   R85        2.63293  -0.00007   0.00008  -0.00063  -0.00054   2.63238
   R86        2.05166   0.00014   0.00013   0.00008   0.00020   2.05186
   R87        2.04785   0.00006   0.00021  -0.00041  -0.00020   2.04765
   R88        2.63324  -0.00007  -0.00007  -0.00005  -0.00012   2.63312
   R89        2.04788   0.00015   0.00019  -0.00002   0.00017   2.04806
   R90        2.65471  -0.00012  -0.00010   0.00010   0.00000   2.65471
   R91        2.05207   0.00001   0.00002   0.00007   0.00008   2.05215
   R92        2.63028  -0.00036  -0.00019   0.00009  -0.00009   2.63019
   R93        2.05145  -0.00000   0.00000  -0.00006  -0.00006   2.05139
   R94        2.05256   0.00002   0.00002   0.00000   0.00002   2.05258
   R95        2.63058  -0.00027  -0.00005  -0.00057  -0.00062   2.62996
   R96        2.05230   0.00013   0.00000   0.00059   0.00059   2.05289
   R97        2.65519  -0.00011  -0.00018   0.00039   0.00021   2.65540
   R98        2.05116   0.00011   0.00007   0.00013   0.00020   2.05136
   R99        2.63329  -0.00010  -0.00001  -0.00030  -0.00031   2.63298
   R100       2.05184   0.00018   0.00010   0.00022   0.00033   2.05216
   R101       2.04910  -0.00003   0.00010  -0.00021  -0.00011   2.04899
   R102       2.63301  -0.00011  -0.00017   0.00057   0.00040   2.63342
   R103       2.04902  -0.00014   0.00000  -0.00023  -0.00022   2.04880
   R104       2.65583  -0.00026  -0.00011  -0.00025  -0.00036   2.65547
   R105       2.05213   0.00003   0.00005  -0.00013  -0.00009   2.05205
   R106       2.62967  -0.00012  -0.00010   0.00017   0.00008   2.62974
   R107       2.05167  -0.00008  -0.00013   0.00030   0.00017   2.05184
   R108       2.05221   0.00018   0.00016  -0.00006   0.00011   2.05231
   R109       2.78554  -0.00099  -0.00062  -0.00029  -0.00091   2.78463
   R110       3.02889   0.00134   0.00109   0.00071   0.00180   3.03069
   R111       3.03877  -0.00081  -0.00467   0.01482   0.01015   3.04893
   R112       2.79269   0.00202   0.00019  -0.00881  -0.00862   2.78407
   R113       2.75720   0.00041  -0.00118   0.00564   0.00446   2.76165
   R114       2.86250  -0.00052   0.00013  -0.00110  -0.00097   2.86153
   R115       2.06076   0.00093  -0.00060  -0.00110  -0.00171   2.05906
   R116       2.06492   0.00018  -0.00000   0.00037   0.00037   2.06529
   R117       2.06988  -0.00030  -0.00000  -0.00086  -0.00087   2.06902
   R118       2.06490   0.00062   0.00025   0.00134   0.00159   2.06649
   R119       2.06436   0.00006   0.00025  -0.00058  -0.00033   2.06403
   R120       2.86728  -0.00074   0.00123  -0.00686  -0.00563   2.86165
   R121       2.06916  -0.00063  -0.00021  -0.00013  -0.00035   2.06881
   R122       2.06453   0.00046  -0.00038   0.00217   0.00179   2.06632
   R123       2.06831   0.00019   0.00008   0.00048   0.00056   2.06886
   R124       2.06619  -0.00006  -0.00021   0.00042   0.00021   2.06640
   R125       2.06560   0.00027   0.00007   0.00072   0.00079   2.06640
   R126       5.11513  -0.00340  -0.00706  -0.01213  -0.01919   5.09594
    A1        2.08868  -0.00027   0.00040  -0.00234  -0.00194   2.08674
    A2        2.09331   0.00035   0.00009   0.00066   0.00074   2.09405
    A3        2.10113  -0.00008  -0.00049   0.00174   0.00124   2.10237
    A4        2.11052   0.00030  -0.00138   0.00498   0.00358   2.11411
    A5        2.07163  -0.00056   0.00203  -0.00738  -0.00537   2.06626
    A6        2.10098   0.00026  -0.00066   0.00231   0.00164   2.10261
    A7        2.07615  -0.00027   0.00136  -0.00409  -0.00272   2.07343
    A8        2.14143   0.00013   0.00004   0.00313   0.00319   2.14462
    A9        2.06045   0.00018  -0.00136   0.00146   0.00006   2.06051
   A10        2.09047   0.00007  -0.00023   0.00030   0.00009   2.09057
   A11        2.09503   0.00021  -0.00088   0.00090  -0.00002   2.09501
   A12        2.09708  -0.00027   0.00081  -0.00059   0.00026   2.09734
   A13        2.10793   0.00016  -0.00072   0.00241   0.00168   2.10961
   A14        2.06748  -0.00015   0.00054  -0.00068  -0.00014   2.06734
   A15        2.10777  -0.00001   0.00018  -0.00172  -0.00154   2.10623
   A16        2.09101  -0.00002   0.00036  -0.00137  -0.00101   2.09000
   A17        2.08780   0.00011  -0.00036   0.00229   0.00193   2.08973
   A18        2.10436  -0.00009   0.00000  -0.00090  -0.00090   2.10346
   A19        2.09843  -0.00046  -0.00005  -0.00338  -0.00338   2.09505
   A20        2.09955   0.00124  -0.00139   0.00539   0.00396   2.10351
   A21        2.07826  -0.00076   0.00137  -0.00222  -0.00087   2.07740
   A22        2.06678   0.00079  -0.00047   0.00321   0.00284   2.06961
   A23        2.06897   0.00110  -0.00065   0.00104   0.00040   2.06937
   A24        2.14207  -0.00186   0.00039  -0.00321  -0.00283   2.13924
   A25        1.94621   0.00055   0.00042  -0.01283  -0.01268   1.93353
   A26        2.07427  -0.00306  -0.00000  -0.01387  -0.01426   2.06001
   A27        2.02115   0.00157   0.00022  -0.00597  -0.00623   2.01492
   A28        2.03448  -0.00122  -0.00085  -0.00373  -0.00469   2.02979
   A29        2.07993   0.00048   0.00101  -0.00071   0.00013   2.08005
   A30        2.16764   0.00072  -0.00024   0.00315   0.00277   2.17040
   A31        2.11884   0.00008  -0.00068   0.00251   0.00183   2.12067
   A32        2.09454   0.00025  -0.00109   0.00405   0.00295   2.09749
   A33        2.06951  -0.00034   0.00174  -0.00673  -0.00499   2.06452
   A34        2.07948   0.00028  -0.00007  -0.00063  -0.00069   2.07879
   A35        2.09915   0.00000  -0.00043   0.00112   0.00069   2.09984
   A36        2.10400  -0.00028   0.00043  -0.00052  -0.00009   2.10391
   A37        2.09203  -0.00028   0.00033  -0.00064  -0.00032   2.09171
   A38        2.09143   0.00023   0.00001   0.00036   0.00035   2.09178
   A39        2.09957   0.00005  -0.00034   0.00009  -0.00027   2.09929
   A40        2.12147  -0.00036  -0.00014   0.00100   0.00084   2.12231
   A41        2.10151  -0.00016   0.00028   0.00181   0.00204   2.10355
   A42        2.05940   0.00052  -0.00010  -0.00347  -0.00361   2.05579
   A43        2.08114  -0.00294   0.00119  -0.00046   0.00082   2.08196
   A44        2.06025   0.01138   0.00485  -0.00106   0.00384   2.06409
   A45        2.09301  -0.00762  -0.00290  -0.00253  -0.00532   2.08769
   A46        2.07459   0.00235   0.00025   0.00006   0.00023   2.07482
   A47        2.16163  -0.00410  -0.00259   0.00369   0.00117   2.16280
   A48        2.04650   0.00173   0.00227  -0.00355  -0.00127   2.04523
   A49        2.14295  -0.00035  -0.00142   0.00148  -0.00007   2.14289
   A50        2.11011  -0.00120  -0.00073   0.00064  -0.00008   2.11004
   A51        2.03008   0.00154   0.00216  -0.00222   0.00001   2.03010
   A52        2.07813  -0.00136  -0.00007   0.00186   0.00169   2.07982
   A53        2.11557  -0.00004  -0.00139   0.00316   0.00175   2.11733
   A54        2.11348  -0.00112   0.00111  -0.00697  -0.00584   2.10763
   A55        2.05408   0.00116   0.00022   0.00388   0.00412   2.05820
   A56        2.11765  -0.00065  -0.00035   0.00028  -0.00007   2.11758
   A57        2.08294   0.00007   0.00015  -0.00234  -0.00219   2.08075
   A58        2.08259   0.00059   0.00020   0.00206   0.00227   2.08486
   A59        2.06383  -0.00007   0.00087  -0.00325  -0.00237   2.06146
   A60        2.10595   0.00005  -0.00011   0.00161   0.00148   2.10743
   A61        2.11335   0.00003  -0.00076   0.00170   0.00093   2.11428
   A62        2.11232   0.00024  -0.00065   0.00270   0.00204   2.11436
   A63        2.05031  -0.00036   0.00041  -0.00145  -0.00104   2.04927
   A64        2.12055   0.00012   0.00024  -0.00124  -0.00100   2.11955
   A65        2.19881  -0.00051   0.00004  -0.00157  -0.00153   2.19728
   A66        2.19434   0.00069  -0.00005   0.00233   0.00227   2.19661
   A67        1.88996  -0.00018   0.00000  -0.00069  -0.00069   1.88927
   A68        2.19028   0.00021   0.00054  -0.00017   0.00037   2.19065
   A69        2.20122  -0.00004  -0.00064   0.00064   0.00001   2.20123
   A70        1.89161  -0.00018   0.00005  -0.00041  -0.00035   1.89125
   A71        2.19582   0.00004  -0.00013   0.00044   0.00032   2.19614
   A72        2.19645  -0.00018  -0.00012  -0.00024  -0.00035   2.19610
   A73        1.89024   0.00014   0.00015  -0.00008   0.00007   1.89031
   A74        1.89997   0.00014   0.00009   0.00022   0.00031   1.90028
   A75        2.25808   0.00013  -0.00011   0.00108   0.00098   2.25906
   A76        2.12428  -0.00027   0.00006  -0.00136  -0.00130   2.12298
   A77        1.86707  -0.00013  -0.00017  -0.00017  -0.00035   1.86672
   A78        2.08543   0.00022  -0.00009   0.00107   0.00098   2.08640
   A79        2.33054  -0.00009   0.00027  -0.00085  -0.00059   2.32995
   A80        1.86654   0.00006   0.00007  -0.00050  -0.00043   1.86611
   A81        2.32993  -0.00014   0.00009  -0.00022  -0.00013   2.32980
   A82        2.08661   0.00008  -0.00018   0.00076   0.00058   2.08719
   A83        1.89958   0.00011  -0.00004   0.00084   0.00080   1.90038
   A84        2.26243   0.00001  -0.00026   0.00056   0.00031   2.26274
   A85        2.12057  -0.00012   0.00027  -0.00141  -0.00114   2.11943
   A86        1.90001   0.00032   0.00001   0.00096   0.00098   1.90098
   A87        2.26082  -0.00001   0.00002   0.00028   0.00029   2.26111
   A88        2.12138  -0.00031   0.00000  -0.00120  -0.00120   2.12018
   A89        1.86753  -0.00023  -0.00003  -0.00040  -0.00044   1.86709
   A90        2.08697   0.00021  -0.00008   0.00113   0.00105   2.08802
   A91        2.32862   0.00002   0.00013  -0.00080  -0.00068   2.32795
   A92        1.86744  -0.00017  -0.00009  -0.00022  -0.00031   1.86713
   A93        2.32785   0.00006   0.00009   0.00001   0.00010   2.32795
   A94        2.08783   0.00011   0.00001   0.00020   0.00021   2.08804
   A95        1.89982   0.00025   0.00011   0.00037   0.00048   1.90031
   A96        2.26380  -0.00006  -0.00013   0.00049   0.00036   2.26416
   A97        2.11865  -0.00018   0.00007  -0.00076  -0.00070   2.11795
   A98        1.90029   0.00016  -0.00010   0.00077   0.00067   1.90096
   A99        2.25921   0.00017   0.00006   0.00090   0.00096   2.26016
   A100       2.12318  -0.00033   0.00004  -0.00158  -0.00154   2.12164
   A101       1.86667  -0.00017   0.00003  -0.00067  -0.00063   1.86604
   A102       2.08589   0.00014  -0.00009   0.00109   0.00100   2.08689
   A103       2.33056   0.00003   0.00007  -0.00042  -0.00036   2.33020
   A104       1.86591  -0.00020   0.00004  -0.00034  -0.00030   1.86561
   A105       2.33124   0.00008  -0.00005   0.00024   0.00019   2.33143
   A106       2.08599   0.00012   0.00002   0.00006   0.00008   2.08606
   A107       1.90165   0.00007  -0.00012   0.00032   0.00020   1.90185
   A108       2.25859   0.00022   0.00015   0.00066   0.00080   2.25940
   A109       2.12231  -0.00029  -0.00001  -0.00096  -0.00097   2.12134
   A110       2.08036   0.00002   0.00001   0.00000   0.00001   2.08037
   A111       2.09999  -0.00002  -0.00017   0.00053   0.00036   2.10035
   A112       2.10283   0.00001   0.00016  -0.00054  -0.00039   2.10244
   A113       2.10365   0.00001   0.00004   0.00014   0.00018   2.10382
   A114       2.09180   0.00000   0.00007  -0.00031  -0.00024   2.09156
   A115       2.08771  -0.00001  -0.00011   0.00016   0.00005   2.08776
   A116       2.11942  -0.00002   0.00008  -0.00082  -0.00074   2.11868
   A117       2.08618  -0.00003   0.00004  -0.00025  -0.00021   2.08597
   A118       2.07758   0.00005  -0.00012   0.00105   0.00093   2.07851
   A119       2.05548   0.00004  -0.00021   0.00131   0.00109   2.05658
   A120       2.11908   0.00002   0.00001  -0.00038  -0.00038   2.11870
   A121       2.10853  -0.00006   0.00022  -0.00101  -0.00079   2.10774
   A122       2.05243   0.00008  -0.00004   0.00079   0.00074   2.05317
   A123       2.11904   0.00003   0.00011  -0.00074  -0.00063   2.11841
   A124       2.11166  -0.00011  -0.00006  -0.00005  -0.00011   2.11155
   A125       2.12020   0.00004   0.00000   0.00004   0.00004   2.12024
   A126       2.07765  -0.00001   0.00027  -0.00119  -0.00092   2.07674
   A127       2.08530  -0.00002  -0.00027   0.00115   0.00088   2.08618
   A128       2.10481  -0.00008   0.00001  -0.00028  -0.00027   2.10455
   A129       2.08696   0.00003   0.00011  -0.00039  -0.00028   2.08668
   A130       2.09139   0.00004  -0.00012   0.00068   0.00055   2.09194
   A131       2.07900   0.00000   0.00006  -0.00024  -0.00019   2.07882
   A132       2.10044   0.00002  -0.00005   0.00051   0.00046   2.10090
   A133       2.10372  -0.00003  -0.00001  -0.00026  -0.00027   2.10346
   A134       2.08030  -0.00006  -0.00008   0.00026   0.00018   2.08048
   A135       2.09887   0.00011  -0.00001   0.00061   0.00059   2.09946
   A136       2.10400  -0.00005   0.00009  -0.00084  -0.00075   2.10324
   A137       2.10315  -0.00001   0.00009  -0.00041  -0.00032   2.10283
   A138       2.09252  -0.00002   0.00011  -0.00061  -0.00050   2.09202
   A139       2.08750   0.00003  -0.00021   0.00104   0.00083   2.08834
   A140       2.11905   0.00007  -0.00002   0.00005   0.00003   2.11908
   A141       2.08858  -0.00009  -0.00006   0.00033   0.00027   2.08885
   A142       2.07555   0.00002   0.00008  -0.00036  -0.00029   2.07526
   A143       2.05695   0.00007  -0.00006   0.00073   0.00067   2.05761
   A144       2.12177  -0.00017  -0.00007  -0.00038  -0.00045   2.12132
   A145       2.10441   0.00010   0.00013  -0.00029  -0.00017   2.10424
   A146       2.05445   0.00009  -0.00002   0.00063   0.00061   2.05506
   A147       2.11994  -0.00004  -0.00034   0.00108   0.00075   2.12069
   A148       2.10876  -0.00005   0.00035  -0.00170  -0.00135   2.10741
   A149       2.11983   0.00009   0.00002   0.00020   0.00022   2.12005
   A150       2.07699   0.00003  -0.00015   0.00116   0.00101   2.07799
   A151       2.08636  -0.00012   0.00013  -0.00136  -0.00123   2.08513
   A152       2.10404  -0.00010  -0.00001  -0.00052  -0.00053   2.10350
   A153       2.08761   0.00002  -0.00006   0.00031   0.00025   2.08786
   A154       2.09152   0.00007   0.00007   0.00020   0.00027   2.09179
   A155       2.07935   0.00002   0.00007  -0.00017  -0.00010   2.07924
   A156       2.10012   0.00002   0.00006  -0.00027  -0.00021   2.09991
   A157       2.10371  -0.00004  -0.00013   0.00045   0.00031   2.10402
   A158       2.07964   0.00007  -0.00004   0.00068   0.00064   2.08028
   A159       2.10024  -0.00001  -0.00017   0.00063   0.00046   2.10070
   A160       2.10328  -0.00006   0.00020  -0.00130  -0.00110   2.10219
   A161       2.10429  -0.00003   0.00004  -0.00040  -0.00036   2.10392
   A162       2.09142   0.00005  -0.00010   0.00088   0.00078   2.09219
   A163       2.08747  -0.00002   0.00006  -0.00048  -0.00042   2.08705
   A164       2.11955   0.00001  -0.00002  -0.00003  -0.00005   2.11950
   A165       2.08575  -0.00009  -0.00014   0.00020   0.00006   2.08582
   A166       2.07787   0.00008   0.00016  -0.00017  -0.00001   2.07785
   A167       2.05435   0.00012  -0.00001   0.00073   0.00071   2.05507
   A168       2.11797  -0.00005   0.00011  -0.00054  -0.00043   2.11754
   A169       2.11083  -0.00007  -0.00010  -0.00018  -0.00028   2.11054
   A170       2.05335   0.00018  -0.00007   0.00134   0.00127   2.05462
   A171       2.11928  -0.00011   0.00011  -0.00087  -0.00076   2.11852
   A172       2.11054  -0.00007  -0.00003  -0.00047  -0.00050   2.11003
   A173       2.12026  -0.00002   0.00008  -0.00080  -0.00072   2.11954
   A174       2.07764   0.00004  -0.00016   0.00103   0.00087   2.07851
   A175       2.08528  -0.00002   0.00008  -0.00022  -0.00015   2.08513
   A176       2.10409   0.00002  -0.00007   0.00055   0.00047   2.10456
   A177       2.08704   0.00000   0.00006  -0.00027  -0.00021   2.08683
   A178       2.09205  -0.00002   0.00001  -0.00027  -0.00026   2.09179
   A179       2.07942   0.00002   0.00010  -0.00053  -0.00043   2.07899
   A180       2.10024   0.00000  -0.00021   0.00105   0.00084   2.10109
   A181       2.10350  -0.00002   0.00011  -0.00052  -0.00041   2.10309
   A182       2.00765   0.00555  -0.00606   0.01587   0.00973   2.01738
   A183       1.83754   0.00508   0.00249   0.01438   0.01677   1.85431
   A184       1.71304  -0.00978  -0.00375   0.00850   0.00478   1.71782
   A185       2.02736  -0.00121   0.00096  -0.00304  -0.00234   2.02502
   A186       2.06293  -0.00104   0.00537  -0.02795  -0.02256   2.04037
   A187       1.77201   0.00042   0.00081  -0.00501  -0.00431   1.76770
   A188       2.09422   0.02247  -0.00226   0.02759   0.02533   2.11955
   A189       2.09289   0.00107   0.01397  -0.04609  -0.03212   2.06077
   A190       1.89386  -0.00421   0.00054   0.00125   0.00179   1.89565
   A191       1.88498   0.00950  -0.00022   0.01233   0.01212   1.89710
   A192       1.84562  -0.00264   0.00064  -0.00252  -0.00188   1.84374
   A193       1.95783   0.00261  -0.00059  -0.00468  -0.00530   1.95252
   A194       1.96013   0.00236  -0.00051  -0.00182  -0.00235   1.95779
   A195       1.91634  -0.00751   0.00022  -0.00366  -0.00346   1.91288
   A196       1.90886  -0.00014  -0.00143   0.00329   0.00186   1.91072
   A197       1.94109  -0.00011   0.00169  -0.00429  -0.00261   1.93848
   A198       1.92860   0.00038   0.00029   0.00319   0.00349   1.93209
   A199       1.89076   0.00012   0.00004   0.00083   0.00086   1.89162
   A200       1.89188  -0.00021  -0.00108  -0.00012  -0.00120   1.89067
   A201       1.90161  -0.00005   0.00041  -0.00285  -0.00244   1.89917
   A202       1.91961  -0.00179  -0.00000  -0.00626  -0.00627   1.91334
   A203       1.84115   0.00103  -0.00182   0.01268   0.01087   1.85202
   A204       1.91819   0.00070  -0.00164   0.00519   0.00352   1.92170
   A205       1.94741   0.00024  -0.00036   0.00274   0.00239   1.94980
   A206       1.95067  -0.00007   0.00207  -0.00877  -0.00671   1.94396
   A207       1.88338  -0.00000   0.00149  -0.00421  -0.00273   1.88065
   A208       1.91808  -0.00047   0.00024  -0.00365  -0.00341   1.91467
   A209       1.93377  -0.00002   0.00138  -0.00217  -0.00079   1.93298
   A210       1.93071   0.00003  -0.00070   0.00032  -0.00038   1.93033
   A211       1.89313   0.00022   0.00006   0.00132   0.00138   1.89452
   A212       1.88974   0.00021  -0.00065   0.00291   0.00226   1.89200
   A213       1.89739   0.00004  -0.00037   0.00147   0.00109   1.89848
   A214       2.34189   0.02636   0.00654  -0.00217   0.00437   2.34625
    D1       -0.00450   0.00013   0.00024   0.00212   0.00237  -0.00213
    D2        3.12539  -0.00030  -0.00058  -0.00714  -0.00768   3.11770
    D3        3.12388   0.00033   0.00007   0.00717   0.00724   3.13112
    D4       -0.02942  -0.00010  -0.00075  -0.00208  -0.00281  -0.03223
    D5       -0.02942  -0.00021  -0.00205  -0.00274  -0.00478  -0.03421
    D6        3.10546   0.00003  -0.00065   0.00142   0.00077   3.10624
    D7        3.12544  -0.00042  -0.00189  -0.00780  -0.00968   3.11577
    D8       -0.02285  -0.00017  -0.00048  -0.00365  -0.00412  -0.02698
    D9        2.29490  -0.00030  -0.00461   0.00868   0.00407   2.29897
   D10       -0.86133  -0.00013  -0.00505   0.01510   0.01005  -0.85128
   D11       -0.86000  -0.00010  -0.00477   0.01374   0.00897  -0.85103
   D12        2.26695   0.00007  -0.00521   0.02015   0.01494   2.28190
   D13        0.04867   0.00010   0.00246   0.00009   0.00254   0.05121
   D14       -2.98175  -0.00039   0.00198  -0.00533  -0.00332  -2.98507
   D15       -3.08102   0.00055   0.00327   0.00956   0.01284  -3.06817
   D16        0.17175   0.00005   0.00279   0.00415   0.00698   0.17874
   D17       -0.05934  -0.00025  -0.00336  -0.00166  -0.00502  -0.06436
   D18        3.04489   0.00012  -0.01001   0.01732   0.00733   3.05222
   D19        2.97625   0.00022  -0.00282   0.00362   0.00077   2.97702
   D20       -0.20270   0.00059  -0.00947   0.02261   0.01311  -0.18959
   D21       -2.94800   0.00080   0.01294  -0.00187   0.01108  -2.93691
   D22        0.32106   0.00064   0.01349   0.00026   0.01378   0.33484
   D23        0.30382   0.00033   0.01230  -0.00689   0.00544   0.30926
   D24       -2.71030   0.00017   0.01285  -0.00477   0.00813  -2.70218
   D25        0.02638   0.00019   0.00151   0.00124   0.00278   0.02916
   D26       -3.11736   0.00018   0.00022   0.00507   0.00531  -3.11204
   D27       -3.07781  -0.00019   0.00824  -0.01779  -0.00957  -3.08738
   D28        0.06164  -0.00020   0.00695  -0.01397  -0.00704   0.05460
   D29       -0.33105  -0.00029   0.00332  -0.03660  -0.03335  -0.36440
   D30        2.85973   0.00014   0.00504  -0.00880  -0.00388   2.85584
   D31        2.77304   0.00009  -0.00339  -0.01753  -0.02096   2.75209
   D32       -0.31937   0.00051  -0.00168   0.01027   0.00851  -0.31086
   D33        0.01837   0.00006   0.00116   0.00111   0.00226   0.02062
   D34       -3.11646  -0.00019  -0.00026  -0.00310  -0.00336  -3.11981
   D35       -3.12104   0.00007   0.00248  -0.00281  -0.00033  -3.12137
   D36        0.02733  -0.00018   0.00106  -0.00701  -0.00594   0.02138
   D37        0.14413  -0.00057  -0.00801   0.00495  -0.00303   0.14111
   D38       -2.88936  -0.00073  -0.00163  -0.00538  -0.00702  -2.89638
   D39       -3.12338  -0.00027  -0.00876   0.00341  -0.00532  -3.12870
   D40        0.12631  -0.00043  -0.00238  -0.00693  -0.00931   0.11700
   D41        2.95187   0.00041   0.00308  -0.00291   0.00017   2.95204
   D42       -0.16322   0.00058   0.00389   0.00448   0.00839  -0.15483
   D43       -0.06372   0.00023   0.00374  -0.00071   0.00302  -0.06070
   D44        3.10438   0.00041   0.00455   0.00667   0.01124   3.11562
   D45       -0.64730   0.00018   0.00099  -0.01369  -0.01263  -0.65993
   D46       -3.06802   0.00058   0.00008   0.02974   0.02961  -3.03841
   D47        2.38139   0.00055  -0.00576  -0.00259  -0.00824   2.37315
   D48       -0.03933   0.00095  -0.00667   0.04083   0.03400  -0.00533
   D49       -0.09417   0.00030  -0.00056   0.00669   0.00615  -0.08801
   D50        3.00347   0.00010   0.00091  -0.01168  -0.01078   2.99270
   D51       -3.12272  -0.00006   0.00618  -0.00455   0.00161  -3.12111
   D52       -0.02508  -0.00025   0.00765  -0.02292  -0.01532  -0.04039
   D53        0.73739   0.00001   0.00146   0.02796   0.02934   0.76672
   D54       -2.45613  -0.00045  -0.00030  -0.00153  -0.00193  -2.45805
   D55       -3.10153  -0.00242   0.00224  -0.01743  -0.01518  -3.11671
   D56       -0.01186  -0.00289   0.00048  -0.04691  -0.04645  -0.05831
   D57        2.42059   0.00139  -0.00032  -0.02150  -0.02168   2.39891
   D58       -1.05146   0.00264   0.01037  -0.03526  -0.02488  -1.07634
   D59        0.02960   0.00233  -0.00134   0.02662   0.02524   0.05484
   D60        2.84074   0.00357   0.00935   0.01286   0.02203   2.86277
   D61        3.09493   0.00070   0.00028  -0.00049  -0.00018   3.09475
   D62        0.00652   0.00122   0.00214   0.02979   0.03205   0.03857
   D63       -0.03484   0.00019  -0.00207   0.00859   0.00651  -0.02832
   D64       -3.14074   0.00029  -0.00027   0.00964   0.00937  -3.13137
   D65        3.08062   0.00002  -0.00292   0.00146  -0.00144   3.07918
   D66       -0.02529   0.00012  -0.00111   0.00251   0.00142  -0.02387
   D67        0.06922  -0.00031  -0.00100  -0.00870  -0.00969   0.05953
   D68       -3.05318  -0.00006  -0.00101   0.00257   0.00155  -3.05163
   D69       -3.10816  -0.00040  -0.00283  -0.00972  -0.01254  -3.12070
   D70        0.05262  -0.00016  -0.00284   0.00155  -0.00130   0.05132
   D71       -2.26804   0.00032   0.00108   0.00943   0.01052  -2.25752
   D72        0.88874   0.00026   0.00446   0.00310   0.00757   0.89631
   D73        0.90975   0.00041   0.00293   0.01050   0.01342   0.92317
   D74       -2.21666   0.00035   0.00631   0.00417   0.01048  -2.20618
   D75       -0.00412   0.00002   0.00234   0.00098   0.00332  -0.00081
   D76       -3.10279   0.00023   0.00090   0.01880   0.01967  -3.08312
   D77        3.11819  -0.00022   0.00236  -0.01034  -0.00797   3.11022
   D78        0.01952  -0.00002   0.00091   0.00749   0.00838   0.02790
   D79       -0.04274  -0.00056  -0.00034   0.00543   0.00507  -0.03767
   D80        3.13263   0.00025   0.00151  -0.00159  -0.00009   3.13253
   D81       -2.84758  -0.00548  -0.01252   0.01916   0.00654  -2.84104
   D82        0.32778  -0.00468  -0.01068   0.01214   0.00138   0.32916
   D83        0.12561   0.00310  -0.00695   0.03041   0.02356   0.14917
   D84       -2.12931  -0.00355  -0.00583   0.01093   0.00507  -2.12425
   D85        2.33201  -0.00198  -0.00601   0.01040   0.00434   2.33635
   D86        2.93442   0.00530   0.00450   0.01695   0.02155   2.95597
   D87        0.67951  -0.00135   0.00562  -0.00252   0.00305   0.68256
   D88       -1.14235   0.00022   0.00545  -0.00306   0.00232  -1.14003
   D89        0.03836  -0.00118   0.00304  -0.02507  -0.02206   0.01630
   D90       -3.09415   0.00018   0.00108  -0.01204  -0.01096  -3.10512
   D91       -3.13478  -0.00204   0.00120  -0.01837  -0.01721   3.13120
   D92        0.01589  -0.00069  -0.00076  -0.00535  -0.00611   0.00979
   D93        3.11609  -0.00005  -0.00212   0.01317   0.01106   3.12715
   D94       -0.03679  -0.00036  -0.00549   0.02068   0.01518  -0.02161
   D95        0.00777   0.00073  -0.00025   0.00619   0.00596   0.01372
   D96        3.13807   0.00042  -0.00363   0.01370   0.01007  -3.13504
   D97       -0.01996   0.00090  -0.00396   0.00724   0.00331  -0.01664
   D98        3.11294  -0.00041  -0.00209  -0.00522  -0.00731   3.10563
   D99       -0.02737   0.00023   0.00173   0.00003   0.00176  -0.02561
   D100       3.11577  -0.00025   0.00062  -0.00412  -0.00350   3.11227
   D101       3.12274   0.00150  -0.00011   0.01223   0.01217   3.13491
   D102      -0.01731   0.00103  -0.00121   0.00809   0.00691  -0.01040
   D103      -0.02082  -0.00030   0.00036  -0.00186  -0.00151  -0.02232
   D104       3.11967  -0.00038  -0.00080  -0.00211  -0.00292   3.11676
   D105       3.13169   0.00001   0.00361  -0.00905  -0.00545   3.12624
   D106      -0.01100  -0.00007   0.00245  -0.00930  -0.00686  -0.01786
   D107       0.00956  -0.00020   0.00058  -0.00359  -0.00301   0.00654
   D108       3.13952   0.00018   0.00042   0.00259   0.00301  -3.14065
   D109      -3.13093  -0.00012   0.00174  -0.00333  -0.00160  -3.13253
   D110      -0.00097   0.00025   0.00158   0.00285   0.00443   0.00346
   D111       0.01429   0.00024  -0.00159   0.00441   0.00283   0.01712
   D112      -3.12891   0.00073  -0.00044   0.00873   0.00831  -3.12060
   D113      -3.11562  -0.00014  -0.00143  -0.00180  -0.00322  -3.11884
   D114       0.02437   0.00035  -0.00029   0.00252   0.00225   0.02662
   D115      -2.18933  -0.00002   0.00309   0.00072   0.00381  -2.18552
   D116       0.90814   0.00011   0.00024   0.00493   0.00517   0.91331
   D117       0.94030   0.00036   0.00294   0.00705   0.01000   0.95030
   D118      -2.24542   0.00049   0.00009   0.01126   0.01136  -2.23406
   D119       3.13415  -0.00000  -0.00078   0.00216   0.00138   3.13552
   D120      -0.05537   0.00008   0.00006   0.00314   0.00320  -0.05217
   D121       0.00507  -0.00016  -0.00040  -0.00335  -0.00375   0.00132
   D122       3.09874  -0.00007   0.00045  -0.00237  -0.00192   3.09681
   D123      -3.13242  -0.00001   0.00092  -0.00316  -0.00225  -3.13467
   D124      -0.03686   0.00012   0.00227  -0.00072   0.00155  -0.03532
   D125      -0.00330   0.00013   0.00054   0.00230   0.00284  -0.00046
   D126       3.09226   0.00026   0.00189   0.00474   0.00663   3.09889
   D127      -3.13403  -0.00008   0.00314  -0.00820  -0.00507  -3.13910
   D128       0.05222  -0.00008   0.00175  -0.00663  -0.00489   0.04733
   D129      -0.00536  -0.00002   0.00025  -0.00281  -0.00256  -0.00792
   D130      -3.10230  -0.00002  -0.00114  -0.00124  -0.00238  -3.10468
   D131       3.13326   0.00006  -0.00301   0.00733   0.00432   3.13757
   D132       0.02909   0.00023  -0.00224   0.00765   0.00541   0.03450
   D133       0.00470  -0.00000  -0.00012   0.00190   0.00179   0.00648
   D134      -3.09947   0.00017   0.00065   0.00223   0.00288  -3.09659
   D135       3.10577   0.00009  -0.00178   0.00221   0.00043   3.10619
   D136      -0.00131   0.00005  -0.00185  -0.00059  -0.00245  -0.00376
   D137       0.00185  -0.00001   0.00066  -0.00138  -0.00072   0.00112
   D138      -3.10523  -0.00006   0.00059  -0.00418  -0.00360  -3.10883
   D139      -3.10686  -0.00010   0.00171  -0.00206  -0.00035  -3.10721
   D140       0.07287  -0.00012   0.00135  -0.00259  -0.00124   0.07163
   D141      -0.00295   0.00002  -0.00073   0.00155   0.00082  -0.00214
   D142      -3.10642  -0.00000  -0.00109   0.00102  -0.00007  -3.10649
   D143       0.00392   0.00004  -0.00028   0.00260   0.00232   0.00624
   D144      -3.12132  -0.00004  -0.00076   0.00055  -0.00021  -3.12152
   D145       3.10495   0.00005   0.00098   0.00124   0.00222   3.10717
   D146      -0.02029  -0.00003   0.00049  -0.00080  -0.00031  -0.02060
   D147       3.11376   0.00000   0.00114  -0.00203  -0.00089   3.11288
   D148      -0.01664   0.00001   0.00083  -0.00201  -0.00117  -0.01781
   D149       0.02184  -0.00000  -0.00040  -0.00033  -0.00073   0.02112
   D150      -3.10855   0.00000  -0.00071  -0.00031  -0.00102  -3.10957
   D151      -0.00103  -0.00004   0.00020  -0.00141  -0.00121  -0.00224
   D152       3.12396  -0.00005  -0.00119   0.00181   0.00062   3.12458
   D153       3.12093   0.00006   0.00078   0.00107   0.00185   3.12277
   D154      -0.03726   0.00006  -0.00061   0.00429   0.00368  -0.03359
   D155       0.00451   0.00003  -0.00044   0.00178   0.00134   0.00585
   D156       3.13896   0.00006  -0.00028   0.00253   0.00225   3.14121
   D157      -3.11551  -0.00008  -0.00107  -0.00094  -0.00201  -3.11751
   D158       0.01894  -0.00005  -0.00091  -0.00018  -0.00109   0.01784
   D159      -0.00223   0.00002  -0.00005  -0.00029  -0.00034  -0.00257
   D160       3.10555  -0.00013  -0.00076  -0.00053  -0.00129   3.10426
   D161      -3.12998   0.00003   0.00110  -0.00296  -0.00186  -3.13184
   D162      -0.02220  -0.00012   0.00039  -0.00321  -0.00281  -0.02501
   D163      -3.11957   0.00016   0.00138   0.00043   0.00181  -3.11775
   D164       0.01968   0.00001   0.00194  -0.00443  -0.00249   0.01719
   D165       0.00377   0.00015  -0.00014   0.00396   0.00382   0.00759
   D166      -3.14017  -0.00000   0.00041  -0.00090  -0.00049  -3.14065
   D167       3.12417  -0.00020  -0.00111  -0.00091  -0.00202   3.12215
   D168      -0.00298  -0.00007  -0.00251   0.00546   0.00296  -0.00002
   D169       0.02413  -0.00001  -0.00025  -0.00060  -0.00085   0.02327
   D170      -3.10302   0.00012  -0.00165   0.00577   0.00413  -3.09890
   D171      -0.00482   0.00012   0.00011   0.00306   0.00317  -0.00164
   D172       3.12605   0.00004   0.00186  -0.00284  -0.00098   3.12507
   D173      -3.10304   0.00004  -0.00065   0.00214   0.00148  -3.10156
   D174       0.02782  -0.00004   0.00109  -0.00376  -0.00267   0.02515
   D175      -3.11569  -0.00006  -0.00138   0.00122  -0.00015  -3.11584
   D176       0.01727  -0.00011  -0.00255   0.00277   0.00022   0.01749
   D177      -0.02731   0.00005  -0.00044   0.00236   0.00192  -0.02539
   D178       3.10565   0.00000  -0.00161   0.00391   0.00229   3.10794
   D179       0.00275  -0.00005   0.00022  -0.00163  -0.00141   0.00134
   D180      -3.12608  -0.00007  -0.00113  -0.00021  -0.00134  -3.12742
   D181      -3.12600   0.00005  -0.00188   0.00542   0.00354  -3.12246
   D182       0.02835   0.00003  -0.00322   0.00684   0.00362   0.03197
   D183      -0.00853   0.00001  -0.00100   0.00276   0.00176  -0.00677
   D184       3.13945   0.00004  -0.00013   0.00145   0.00132   3.14077
   D185       3.11894  -0.00010   0.00130  -0.00500  -0.00370   3.11524
   D186      -0.01626  -0.00007   0.00217  -0.00631  -0.00414  -0.02040
   D187       0.00031  -0.00005  -0.00046  -0.00040  -0.00086  -0.00055
   D188      -3.09980  -0.00018  -0.00168  -0.00263  -0.00431  -3.10410
   D189       3.13123  -0.00003   0.00066  -0.00159  -0.00092   3.13031
   D190       0.03112  -0.00015  -0.00055  -0.00382  -0.00437   0.02676
   D191       3.11628   0.00018   0.00141   0.00331   0.00472   3.12100
   D192      -0.01865   0.00007   0.00167  -0.00107   0.00060  -0.01805
   D193      -0.01127   0.00015  -0.00007   0.00488   0.00481  -0.00646
   D194       3.13698   0.00004   0.00019   0.00050   0.00069   3.13767
   D195      -3.11941  -0.00013  -0.00061  -0.00351  -0.00412  -3.12353
   D196       0.01075   0.00002  -0.00108   0.00274   0.00165   0.01240
   D197      -0.02886   0.00003   0.00089  -0.00078   0.00011  -0.02874
   D198       3.10130   0.00019   0.00042   0.00547   0.00589   3.10719
   D199      -0.00006   0.00001  -0.00033   0.00069   0.00035   0.00030
   D200      -3.13158   0.00000  -0.00092   0.00103   0.00011  -3.13147
   D201       3.11023   0.00006  -0.00027   0.00328   0.00301   3.11324
   D202      -0.02129   0.00006  -0.00086   0.00362   0.00276  -0.01853
   D203       3.12073   0.00006   0.00088   0.00030   0.00118   3.12191
   D204      -0.01361  -0.00000   0.00070  -0.00108  -0.00038  -0.01399
   D205       0.01750  -0.00000   0.00080  -0.00286  -0.00205   0.01545
   D206      -3.11684  -0.00007   0.00062  -0.00423  -0.00361  -3.12045
   D207      -0.00172   0.00001  -0.00011   0.00025   0.00014  -0.00158
   D208       3.12908  -0.00003   0.00208  -0.00533  -0.00325   3.12583
   D209       3.12778   0.00001   0.00060  -0.00015   0.00045   3.12823
   D210      -0.02460  -0.00003   0.00279  -0.00573  -0.00294  -0.02754
   D211       0.00996  -0.00008   0.00023  -0.00160  -0.00137   0.00858
   D212      -3.13852  -0.00002   0.00040  -0.00112  -0.00073  -3.13925
   D213      -3.11835  -0.00008  -0.00055  -0.00115  -0.00170  -3.12005
   D214       0.01636  -0.00003  -0.00038  -0.00067  -0.00106   0.01530
   D215       0.00288  -0.00001   0.00052  -0.00110  -0.00059   0.00229
   D216       3.10989   0.00002   0.00085  -0.00059   0.00026   3.11014
   D217      -3.12973   0.00002  -0.00131   0.00354   0.00223  -3.12749
   D218      -0.02272   0.00005  -0.00098   0.00406   0.00308  -0.01964
   D219      -3.12215   0.00001  -0.00161   0.00313   0.00152  -3.12063
   D220       0.01354   0.00002  -0.00224   0.00437   0.00214   0.01567
   D221       0.00758  -0.00003   0.00080  -0.00300  -0.00221   0.00537
   D222      -3.13992  -0.00003   0.00018  -0.00177  -0.00159  -3.14152
   D223       3.12080   0.00000   0.00099  -0.00199  -0.00100   3.11979
   D224      -0.01115  -0.00001   0.00099  -0.00232  -0.00133  -0.01248
   D225       0.02154  -0.00003   0.00059  -0.00261  -0.00202   0.01953
   D226      -3.11040  -0.00004   0.00059  -0.00294  -0.00234  -3.11275
   D227       0.01168  -0.00004  -0.00024  -0.00097  -0.00121   0.01048
   D228      -3.13800  -0.00012  -0.00012  -0.00296  -0.00308  -3.14108
   D229      -3.12756   0.00011  -0.00080   0.00390   0.00310  -3.12446
   D230       0.00594   0.00003  -0.00068   0.00191   0.00123   0.00717
   D231      -0.00952  -0.00009   0.00039  -0.00295  -0.00256  -0.01208
   D232       3.12862  -0.00022  -0.00010  -0.00601  -0.00611   3.12251
   D233       3.14014  -0.00001   0.00027  -0.00096  -0.00069   3.13945
   D234      -0.00490  -0.00014  -0.00022  -0.00402  -0.00424  -0.00914
   D235      -0.00835   0.00012  -0.00014   0.00366   0.00352  -0.00483
   D236       3.11888  -0.00001   0.00125  -0.00267  -0.00142   3.11746
   D237       3.13667   0.00024   0.00035   0.00671   0.00706  -3.13946
   D238      -0.01927   0.00011   0.00174   0.00038   0.00212  -0.01716
   D239      -0.00830   0.00004   0.00027   0.00047   0.00074  -0.00756
   D240       3.14151  -0.00001  -0.00012  -0.00038  -0.00050   3.14101
   D241       3.12214   0.00004   0.00058   0.00044   0.00102   3.12317
   D242      -0.01123  -0.00002   0.00019  -0.00040  -0.00022  -0.01144
   D243      -0.00688  -0.00004  -0.00024   0.00050   0.00026  -0.00661
   D244       3.14118  -0.00002   0.00046  -0.00159  -0.00113   3.14004
   D245       3.12646   0.00001   0.00016   0.00134   0.00150   3.12796
   D246      -0.00867   0.00004   0.00086  -0.00075   0.00011  -0.00857
   D247       0.00869   0.00001   0.00032  -0.00163  -0.00132   0.00737
   D248      -3.12574  -0.00002   0.00016  -0.00239  -0.00223  -3.12797
   D249      -3.13938  -0.00002  -0.00038   0.00046   0.00008  -3.13930
   D250       0.00937  -0.00005  -0.00054  -0.00030  -0.00083   0.00854
   D251      -0.00951  -0.00004   0.00033  -0.00148  -0.00115  -0.01066
   D252       3.13698  -0.00010   0.00094  -0.00582  -0.00488   3.13210
   D253       3.12541   0.00008   0.00006   0.00292   0.00298   3.12839
   D254      -0.01129   0.00002   0.00068  -0.00142  -0.00074  -0.01204
   D255       0.01154  -0.00008   0.00003  -0.00323  -0.00320   0.00834
   D256      -3.12605  -0.00024  -0.00040  -0.00830  -0.00870  -3.13475
   D257      -3.13494  -0.00003  -0.00058   0.00110   0.00052  -3.13442
   D258       0.01067  -0.00019  -0.00102  -0.00397  -0.00499   0.00568
   D259       0.00764   0.00009  -0.00063   0.00429   0.00366   0.01130
   D260      -3.12263  -0.00006  -0.00016  -0.00189  -0.00205  -3.12469
   D261      -3.13793   0.00025  -0.00020   0.00933   0.00912  -3.12881
   D262       0.01498   0.00010   0.00026   0.00315   0.00341   0.01839
   D263       0.00838  -0.00003  -0.00029  -0.00004  -0.00033   0.00805
   D264      -3.13816  -0.00004  -0.00048   0.00016  -0.00032  -3.13848
   D265      -3.12463   0.00002   0.00089  -0.00159  -0.00071  -3.12534
   D266       0.01200   0.00002   0.00069  -0.00139  -0.00070   0.01131
   D267       0.01022   0.00000   0.00036  -0.00085  -0.00049   0.00972
   D268      -3.13843  -0.00003   0.00074  -0.00221  -0.00147  -3.13990
   D269      -3.12639   0.00001   0.00056  -0.00107  -0.00051  -3.12691
   D270       0.00814  -0.00002   0.00094  -0.00243  -0.00149   0.00665
   D271      -0.00997   0.00001   0.00030  -0.00054  -0.00024  -0.01021
   D272       3.12522  -0.00002  -0.00058   0.00077   0.00020   3.12542
   D273       3.13870   0.00004  -0.00008   0.00082   0.00074   3.13943
   D274      -0.00930   0.00000  -0.00096   0.00213   0.00117  -0.00812
   D275       0.00768   0.00000  -0.00027   0.00070   0.00043   0.00811
   D276      -3.13891  -0.00002   0.00027  -0.00167  -0.00140  -3.14031
   D277      -3.12800  -0.00000   0.00036  -0.00055  -0.00019  -3.12819
   D278       0.00860  -0.00003   0.00089  -0.00292  -0.00203   0.00658
   D279      -0.00867   0.00002  -0.00011   0.00073   0.00061  -0.00806
   D280       3.12735   0.00002   0.00028  -0.00045  -0.00017   3.12718
   D281       3.13790   0.00004  -0.00065   0.00309   0.00244   3.14034
   D282      -0.00926   0.00005  -0.00026   0.00192   0.00166  -0.00760
   D283      -0.00591  -0.00001  -0.00004   0.00021   0.00017  -0.00574
   D284       3.12608   0.00000  -0.00005   0.00054   0.00050   3.12657
   D285       3.14123  -0.00001  -0.00043   0.00138   0.00095  -3.14101
   D286      -0.00997  -0.00000  -0.00043   0.00171   0.00128  -0.00870
   D287      -0.00298  -0.00003  -0.00014   0.00017   0.00003  -0.00295
   D288       3.14153  -0.00005  -0.00006  -0.00137  -0.00143   3.14011
   D289       3.13141   0.00003   0.00004   0.00154   0.00158   3.13298
   D290      -0.00727   0.00001   0.00012  -0.00000   0.00012  -0.00715
   D291      -0.00785   0.00000  -0.00047   0.00175   0.00128  -0.00658
   D292       3.13464   0.00006   0.00014   0.00105   0.00119   3.13583
   D293       3.13081   0.00002  -0.00055   0.00330   0.00274   3.13355
   D294      -0.00988   0.00008   0.00006   0.00260   0.00265  -0.00723
   D295       0.00418   0.00005   0.00042  -0.00099  -0.00057   0.00361
   D296      -3.13052  -0.00000   0.00025  -0.00147  -0.00122  -3.13174
   D297      -3.13832  -0.00001  -0.00020  -0.00029  -0.00048  -3.13881
   D298       0.01017  -0.00006  -0.00036  -0.00077  -0.00113   0.00903
   D299       1.68371   0.02101  -0.01311   0.02234   0.00924   1.69296
   D300      -0.55948   0.01019  -0.00782  -0.00879  -0.01659  -0.57607
   D301      -2.82147   0.01202  -0.01620   0.03365   0.01742  -2.80405
   D302       2.89995   0.00237  -0.03714   0.22761   0.19043   3.09038
   D303      -1.21596   0.00149  -0.04475   0.23886   0.19406  -1.02190
   D304       1.02344  -0.00048  -0.03893   0.21149   0.17264   1.19607
   D305      -2.31290   0.00818   0.01444   0.00015   0.01458  -2.29833
   D306      -0.18668   0.01451   0.01392   0.00258   0.01651  -0.17017
   D307       1.86397   0.00908   0.01440   0.00305   0.01745   1.88141
   D308       2.03609  -0.00044   0.00442  -0.07044  -0.06602   1.97007
   D309      -2.14473  -0.00051   0.00294  -0.06312  -0.06020  -2.20493
   D310      -0.11864   0.00038   0.00293  -0.05869  -0.05574  -0.17438
   D311      -3.08437   0.00504  -0.00520   0.01250   0.00730  -3.07707
   D312      -0.99675   0.00503  -0.00503   0.01297   0.00794  -0.98881
   D313       1.11754   0.00515  -0.00317   0.00864   0.00547   1.12301
   D314       1.11778  -0.00560  -0.00492  -0.00075  -0.00567   1.11211
   D315      -3.07779  -0.00560  -0.00475  -0.00029  -0.00503  -3.08282
   D316      -0.96350  -0.00549  -0.00289  -0.00461  -0.00750  -0.97099
   D317      -1.05051   0.00053  -0.00438   0.00914   0.00476  -1.04575
   D318       1.03711   0.00053  -0.00420   0.00961   0.00540   1.04250
   D319      -3.13179   0.00065  -0.00234   0.00528   0.00293  -3.12886
   D320      -0.98532  -0.00149  -0.01824   0.11559   0.09735  -0.88797
   D321       1.10092   0.00108  -0.01807   0.12235   0.10427   1.20519
   D322      -2.98983   0.00038  -0.01899   0.11375   0.09477  -2.89506
   D323       3.03638   0.00036  -0.01605   0.03692   0.02086   3.05724
   D324      -1.15489   0.00031  -0.01494   0.03483   0.01988  -1.13501
   D325       0.95062   0.00037  -0.01496   0.03544   0.02047   0.97109
   D326       0.99944   0.00006  -0.01359   0.02353   0.00994   1.00938
   D327       3.09136   0.00002  -0.01248   0.02143   0.00895   3.10031
   D328      -1.08632   0.00008  -0.01250   0.02205   0.00955  -1.07677
   D329      -1.11118  -0.00006  -0.01672   0.03316   0.01644  -1.09473
   D330       0.98074  -0.00010  -0.01561   0.03106   0.01546   0.99620
   D331       3.08625  -0.00004  -0.01563   0.03168   0.01605   3.10230
         Item               Value     Threshold  Converged?
 Maximum Force            0.026355     0.000450     NO 
 RMS     Force            0.002220     0.000300     NO 
 Maximum Displacement     0.955419     0.001800     NO 
 RMS     Displacement     0.087234     0.001200     NO 
 Predicted change in Energy=-2.074780D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.610290    3.250879    0.143626
      2          6           0       -2.768389    1.870588    0.294873
      3          6           0       -1.667193    1.007183    0.253702
      4          6           0       -0.375426    1.558919    0.118238
      5          6           0       -0.223322    2.941967   -0.049763
      6          6           0       -1.325175    3.784140   -0.050665
      7          6           0       -1.802247   -0.464192    0.215507
      8          6           0       -0.666815   -1.286600    0.424451
      9          6           0        0.618707   -0.640525    0.863540
     10          6           0        0.807026    0.688499    0.184993
     11          6           0       -3.007679   -1.057604   -0.178133
     12          6           0       -3.096431   -2.426511   -0.437623
     13          6           0       -1.945824   -3.214622   -0.333593
     14          6           0       -0.753174   -2.643951    0.092631
     15          7           0        1.786317   -1.457933    0.946320
     16          6           0        3.029336   -0.951434    0.459992
     17          6           0        3.058673    0.333230   -0.134182
     18          7           0        1.936869    1.129836   -0.248117
     19          6           0        4.239643   -1.667615    0.502785
     20          6           0        5.415623   -1.128349   -0.001963
     21          6           0        5.438783    0.142264   -0.599123
     22          6           0        4.249915    0.855112   -0.666143
     23          7           0       -3.740664    4.099202    0.176596
     24          7           0       -4.324981   -2.997850   -0.846019
     25          7           0        6.645096    0.679967   -1.110963
     26          6           0       -4.930900   -4.124303   -0.270584
     27          6           0       -6.144366   -4.391115   -0.952804
     28          6           0       -6.274757   -3.389021   -1.990321
     29          6           0       -5.136507   -2.548572   -1.897688
     30          6           0       -3.864601    5.276210    0.931409
     31          6           0       -5.139607    5.845252    0.689162
     32          6           0       -5.817007    4.979209   -0.253284
     33          6           0       -4.929760    3.914233   -0.548262
     34          6           0        7.203730    1.919410   -0.764872
     35          6           0        8.433334    2.077328   -1.452310
     36          6           0        8.627287    0.883429   -2.248510
     37          6           0        7.508531    0.044544   -2.012542
     38          6           0       -7.234006   -3.146797   -2.980618
     39          6           0       -7.045875   -2.087511   -3.863334
     40          6           0       -5.901724   -1.276851   -3.772373
     41          6           0       -4.932623   -1.495770   -2.794615
     42          6           0       -4.521785   -4.890317    0.824422
     43          6           0       -5.338177   -5.950196    1.212791
     44          6           0       -6.536691   -6.239011    0.537899
     45          6           0       -6.946680   -5.461686   -0.541014
     46          6           0       -7.072787    5.024660   -0.869569
     47          6           0       -7.424072    4.023047   -1.769691
     48          6           0       -6.525458    2.985126   -2.067229
     49          6           0       -5.268909    2.919036   -1.469601
     50          6           0       -2.970714    5.848682    1.840672
     51          6           0       -3.361523    7.021447    2.483649
     52          6           0       -4.613725    7.609476    2.239305
     53          6           0       -5.508304    7.023136    1.348723
     54          6           0        9.626627    0.467048   -3.135535
     55          6           0        9.497872   -0.762662   -3.774370
     56          6           0        8.374729   -1.574329   -3.541403
     57          6           0        7.365439   -1.183950   -2.663759
     58          6           0        6.732898    2.889477    0.124126
     59          6           0        7.505774    4.035311    0.302149
     60          6           0        8.719721    4.214325   -0.382624
     61          6           0        9.189191    3.239751   -1.258041
     62          8           0        0.481059   -3.110491    2.710704
     63         15           0        1.779115   -2.815846    2.078553
     64          8           0        3.009593   -2.573073    3.078088
     65          8           0        2.386626   -3.944169    1.098273
     66          6           0        2.816335   -1.944261    4.396329
     67          6           0        3.851708   -0.852627    4.567546
     68          6           0        2.629499   -5.275681    1.649441
     69          6           0        1.684185   -6.271035    1.010052
     70          1           0       -3.764298    1.482310    0.466014
     71          1           0        0.776672    3.339472   -0.179602
     72          1           0       -1.202776    4.850546   -0.201174
     73          1           0       -3.892381   -0.450310   -0.319541
     74          1           0       -1.981786   -4.261461   -0.612899
     75          1           0        0.126459   -3.269066    0.108086
     76          1           0        4.281745   -2.652033    0.936092
     77          1           0        6.333917   -1.700738    0.069580
     78          1           0        4.202153    1.832105   -1.132526
     79          1           0       -8.110994   -3.782321   -3.062114
     80          1           0       -7.783524   -1.889943   -4.635082
     81          1           0       -5.762983   -0.465807   -4.480952
     82          1           0       -4.042757   -0.877956   -2.747537
     83          1           0       -3.607055   -4.664206    1.361582
     84          1           0       -5.040966   -6.560165    2.060554
     85          1           0       -7.148471   -7.073591    0.866206
     86          1           0       -7.879395   -5.678066   -1.053915
     87          1           0       -7.762547    5.834011   -0.648499
     88          1           0       -8.398641    4.042921   -2.247092
     89          1           0       -6.810571    2.213846   -2.776308
     90          1           0       -4.580522    2.120865   -1.720934
     91          1           0       -2.007904    5.396905    2.049202
     92          1           0       -2.682264    7.486032    3.192212
     93          1           0       -4.886890    8.524384    2.755778
     94          1           0       -6.482521    7.469239    1.170740
     95          1           0       10.489541    1.098813   -3.326310
     96          1           0       10.266966   -1.097057   -4.463614
     97          1           0        8.284907   -2.524667   -4.059181
     98          1           0        6.495654   -1.810485   -2.500685
     99          1           0        5.801527    2.756914    0.663030
    100          1           0        7.160189    4.804127    0.986740
    101          1           0        9.295014    5.121590   -0.225020
    102          1           0       10.132071    3.375434   -1.779622
    103          1           0        1.800940   -1.552837    4.451097
    104          1           0        2.939415   -2.747732    5.126896
    105          1           0        3.763434   -0.419646    5.569289
    106          1           0        4.864096   -1.249351    4.451322
    107          1           0        3.698828   -0.057148    3.834861
    108          1           0        3.675538   -5.510252    1.427415
    109          1           0        2.515079   -5.259004    2.736760
    110          1           0        1.921942   -7.281614    1.357581
    111          1           0        0.647498   -6.046689    1.275903
    112          1           0        1.780975   -6.248756   -0.078918
    113         17           0        0.299942    0.030204    2.865871
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0349565           0.0182106           0.0142086
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10682.0908898332 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999997   -0.000276    0.000394    0.002358 Ang=  -0.28 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48486836     A.U. after   12 cycles
            NFock= 12  Conv=0.63D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000929136   -0.000855745   -0.000006355
      2        6          -0.000481678   -0.000257078    0.000381870
      3        6           0.000517428   -0.000419727    0.000163599
      4        6          -0.000871093   -0.001021672    0.000749239
      5        6          -0.000087114    0.000284640    0.000003306
      6        6           0.000077986   -0.000144143   -0.000206360
      7        6           0.000122928    0.000992523   -0.000293984
      8        6           0.002228843    0.001479187    0.001054987
      9        6           0.001102009   -0.003923402   -0.000733920
     10        6          -0.001040475   -0.000515330    0.005701732
     11        6          -0.000279397    0.000292784    0.000105494
     12        6          -0.000132863    0.000283372    0.000692287
     13        6           0.000840801    0.000099624   -0.000034428
     14        6          -0.000939348   -0.000921045   -0.000114855
     15        7          -0.000226554   -0.000208757   -0.002507108
     16        6           0.001265900    0.001774103    0.000703880
     17        6           0.000926331    0.000134944   -0.000242914
     18        7           0.000146333   -0.000198700   -0.000831832
     19        6          -0.001959572   -0.000426191    0.000446507
     20        6           0.000132126    0.000466582   -0.000420528
     21        6          -0.000517893   -0.001183687    0.000621712
     22        6          -0.000286092    0.000157579    0.000134521
     23        7          -0.000955702    0.000435415   -0.000539190
     24        7           0.000439329   -0.000205215   -0.000609895
     25        7           0.000988092    0.000830824    0.000193410
     26        6          -0.000576410    0.000025632    0.000332877
     27        6          -0.000087897   -0.000134255    0.000132657
     28        6          -0.000032078    0.000013502   -0.000072121
     29        6          -0.000554691    0.000402684   -0.000033037
     30        6           0.000120016   -0.000328766    0.000354832
     31        6          -0.000152639    0.000004102    0.000110117
     32        6          -0.000153366    0.000047999   -0.000102666
     33        6           0.000451400    0.000261837   -0.000124441
     34        6          -0.000350088   -0.000489231    0.000215370
     35        6           0.000326249    0.000210649   -0.000200444
     36        6          -0.000121125   -0.000049403   -0.000129109
     37        6          -0.000242817    0.000028600   -0.000296669
     38        6           0.000275959    0.000059224    0.000124438
     39        6           0.000108863    0.000121311   -0.000074132
     40        6          -0.000116140   -0.000408684    0.000424259
     41        6           0.000279256    0.000012215   -0.000304403
     42        6           0.000279229    0.000263370   -0.000114609
     43        6          -0.000224549    0.000052959   -0.000077880
     44        6           0.000330327   -0.000083089   -0.000010245
     45        6           0.000187636    0.000015264    0.000053063
     46        6           0.000069776   -0.000131114    0.000003984
     47        6           0.000198101   -0.000114680    0.000313732
     48        6          -0.000195771    0.000251171   -0.000087185
     49        6           0.000034375   -0.000009402    0.000350366
     50        6          -0.000016867    0.000335203   -0.000012974
     51        6          -0.000206552    0.000015831   -0.000033928
     52        6          -0.000174746   -0.000169840   -0.000187352
     53        6           0.000287422    0.000078321    0.000090232
     54        6           0.000125810   -0.000038944   -0.000054272
     55        6          -0.000194242   -0.000087349    0.000080455
     56        6          -0.000080850    0.000134702    0.000054815
     57        6           0.000110793    0.000078445    0.000062370
     58        6           0.000134286    0.000162690    0.000092560
     59        6           0.000038454   -0.000348125   -0.000250775
     60        6          -0.000088660    0.000209929   -0.000161481
     61        6          -0.000367171   -0.000280857    0.000355942
     62        8          -0.000172385   -0.000169502   -0.000936008
     63       15           0.003140829   -0.001371156   -0.001226310
     64        8          -0.001304130    0.002454219    0.000383226
     65        8          -0.000641615    0.001189869    0.002501184
     66        6           0.000431502   -0.000797719   -0.003320154
     67        6           0.000488348   -0.000392210    0.000103393
     68        6           0.000892588   -0.000027346   -0.000131131
     69        6          -0.000710880   -0.000565842   -0.000469616
     70        1          -0.000114757   -0.000381186    0.000201160
     71        1          -0.000059990   -0.000097175    0.000034107
     72        1           0.000032435    0.000082990   -0.000022182
     73        1          -0.000053359    0.000483321   -0.000212540
     74        1           0.000052765   -0.000035226    0.000118033
     75        1           0.000968553   -0.000007965    0.000320061
     76        1          -0.000372770   -0.001474583    0.000681835
     77        1           0.000011526   -0.000056871    0.000164389
     78        1          -0.000163503   -0.000072405   -0.000034772
     79        1          -0.000005109   -0.000056960    0.000070940
     80        1           0.000079154    0.000029921    0.000081394
     81        1           0.000097892    0.000063162   -0.000147302
     82        1          -0.000103336    0.000025967    0.000127632
     83        1          -0.000204862   -0.000128175   -0.000056025
     84        1          -0.000059182   -0.000098374    0.000010825
     85        1          -0.000046210    0.000067398    0.000010833
     86        1           0.000004236    0.000035284   -0.000004851
     87        1          -0.000014663    0.000065538   -0.000018125
     88        1          -0.000025209    0.000053362   -0.000162606
     89        1          -0.000076132   -0.000085738   -0.000011971
     90        1           0.000112955   -0.000037457   -0.000039789
     91        1          -0.000016689   -0.000148387    0.000087808
     92        1           0.000035194   -0.000065702   -0.000023968
     93        1           0.000024920    0.000007085    0.000016831
     94        1           0.000000766    0.000017727    0.000033855
     95        1          -0.000080126    0.000003503    0.000072353
     96        1           0.000024642    0.000032239   -0.000015443
     97        1           0.000094902   -0.000052300   -0.000009073
     98        1          -0.000029080   -0.000048275   -0.000015269
     99        1          -0.000016239   -0.000008601   -0.000008452
    100        1          -0.000058915   -0.000008192    0.000032060
    101        1           0.000000752   -0.000152687    0.000023105
    102        1           0.000089263   -0.000033882   -0.000097630
    103        1          -0.000333947   -0.000533551    0.001594962
    104        1          -0.000140300    0.000044185    0.000389554
    105        1          -0.000107824   -0.000063650    0.000003323
    106        1           0.000163148    0.000088582    0.000074136
    107        1          -0.000255950    0.000267452   -0.000045677
    108        1          -0.000887718    0.000850145   -0.000503484
    109        1          -0.000380011    0.000222252    0.000127983
    110        1          -0.000214511   -0.000232566   -0.000068907
    111        1           0.000304743    0.000111842    0.000171234
    112        1           0.000114184   -0.000253611   -0.000119922
    113       17          -0.001876649    0.004198469   -0.004970532
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005701732 RMS     0.000763905

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.019952086 RMS     0.001757472
 Search for a local minimum.
 Step number  23 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   22   23
 DE= -8.19D-04 DEPred=-2.07D-03 R= 3.95D-01
 Trust test= 3.95D-01 RLast= 4.15D-01 DXMaxT set to 2.56D+00
 ITU=  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0
 ITU=  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00129   0.00453   0.00762   0.00962   0.01202
     Eigenvalues ---    0.01253   0.01730   0.01857   0.02393   0.02434
     Eigenvalues ---    0.02485   0.02540   0.02554   0.02573   0.02590
     Eigenvalues ---    0.02606   0.02637   0.02673   0.02681   0.02696
     Eigenvalues ---    0.02699   0.02708   0.02714   0.02718   0.02748
     Eigenvalues ---    0.02756   0.02772   0.02783   0.02794   0.02802
     Eigenvalues ---    0.02806   0.02811   0.02813   0.02815   0.02827
     Eigenvalues ---    0.02838   0.02852   0.02863   0.02871   0.02872
     Eigenvalues ---    0.02876   0.02887   0.02891   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02908   0.02914   0.02917   0.02918
     Eigenvalues ---    0.02925   0.02934   0.02942   0.02945   0.02949
     Eigenvalues ---    0.02950   0.02952   0.02954   0.02957   0.02961
     Eigenvalues ---    0.02963   0.02965   0.02969   0.02974   0.02976
     Eigenvalues ---    0.02987   0.02991   0.02992   0.02999   0.03008
     Eigenvalues ---    0.03017   0.03020   0.03032   0.03046   0.03059
     Eigenvalues ---    0.03059   0.03067   0.03071   0.03079   0.03094
     Eigenvalues ---    0.03102   0.03112   0.03118   0.03132   0.03141
     Eigenvalues ---    0.03154   0.03171   0.03176   0.03181   0.03182
     Eigenvalues ---    0.03226   0.03242   0.03250   0.03277   0.03324
     Eigenvalues ---    0.03389   0.03517   0.03765   0.04293   0.05225
     Eigenvalues ---    0.05389   0.05755   0.05801   0.05878   0.05920
     Eigenvalues ---    0.05936   0.06130   0.07216   0.08386   0.11407
     Eigenvalues ---    0.11574   0.12022   0.12641   0.13713   0.13946
     Eigenvalues ---    0.14950   0.15857   0.15950   0.15973   0.15992
     Eigenvalues ---    0.15994   0.15995   0.15996   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16008   0.16010
     Eigenvalues ---    0.16025   0.16055   0.16069   0.16130   0.17836
     Eigenvalues ---    0.19732   0.20383   0.21447   0.21678   0.21859
     Eigenvalues ---    0.21997   0.21999   0.22000   0.22001   0.22005
     Eigenvalues ---    0.22224   0.22409   0.22437   0.22514   0.22588
     Eigenvalues ---    0.22599   0.22603   0.22613   0.22632   0.22668
     Eigenvalues ---    0.23176   0.23435   0.23512   0.23695   0.23800
     Eigenvalues ---    0.24251   0.24380   0.24467   0.24484   0.24513
     Eigenvalues ---    0.24523   0.24528   0.24604   0.24724   0.24873
     Eigenvalues ---    0.24910   0.24964   0.24969   0.24978   0.24980
     Eigenvalues ---    0.24983   0.24985   0.24991   0.25002   0.25046
     Eigenvalues ---    0.25165   0.25650   0.25847   0.26373   0.26531
     Eigenvalues ---    0.27091   0.27154   0.27966   0.28745   0.28851
     Eigenvalues ---    0.29067   0.29327   0.29508   0.29674   0.30172
     Eigenvalues ---    0.30469   0.30647   0.30704   0.30840   0.30946
     Eigenvalues ---    0.31106   0.31160   0.31258   0.31369   0.31473
     Eigenvalues ---    0.31552   0.31597   0.32132   0.32232   0.32370
     Eigenvalues ---    0.32818   0.33124   0.33484   0.33717   0.33966
     Eigenvalues ---    0.34099   0.34144   0.34460   0.34502   0.34673
     Eigenvalues ---    0.34938   0.35154   0.35250   0.35525   0.35591
     Eigenvalues ---    0.35945   0.36389   0.36778   0.37137   0.37310
     Eigenvalues ---    0.39022   0.40174   0.41503   0.41549   0.42043
     Eigenvalues ---    0.42729   0.43337   0.43432   0.44925   0.45368
     Eigenvalues ---    0.46586   0.47092   0.47102   0.47183   0.47642
     Eigenvalues ---    0.47778   0.48333   0.49827   0.50110   0.50440
     Eigenvalues ---    0.50597   0.50646   0.51639   0.51901   0.52079
     Eigenvalues ---    0.52238   0.52589   0.52800   0.53107   0.53263
     Eigenvalues ---    0.53436   0.53788   0.54290   0.54344   0.55003
     Eigenvalues ---    0.55032   0.55296   0.55629   0.55667   0.55952
     Eigenvalues ---    0.56138   0.56190   0.56449   0.56533   0.56829
     Eigenvalues ---    0.56927   0.57087   0.57163   0.57879   0.58226
     Eigenvalues ---    0.58255   0.58281   0.58333   0.58505   0.58619
     Eigenvalues ---    0.58787   0.58925   0.59419   0.59708   0.59730
     Eigenvalues ---    0.59810   0.60158   0.60641   0.60892   0.61758
     Eigenvalues ---    0.62466   0.63265   0.63581   0.64462   0.65193
     Eigenvalues ---    0.65942   0.66771   0.67806   0.68872   0.71961
     Eigenvalues ---    0.73138   0.74245   0.74644   0.78809   0.80627
     Eigenvalues ---    0.85381   0.90185   3.40015
 RFO step:  Lambda=-1.28753143D-03 EMin= 1.29453074D-03
 Quartic linear search produced a step of -0.34705.
 Iteration  1 RMS(Cart)=  0.05579915 RMS(Int)=  0.00070948
 Iteration  2 RMS(Cart)=  0.00212884 RMS(Int)=  0.00000988
 Iteration  3 RMS(Cart)=  0.00000470 RMS(Int)=  0.00000973
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000973
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64094  -0.00023   0.00003   0.00028   0.00032   2.64125
    R2        2.65480   0.00023   0.00020  -0.00057  -0.00038   2.65443
    R3        2.67146   0.00080   0.00003   0.00099   0.00102   2.67248
    R4        2.64548  -0.00025   0.00008  -0.00153  -0.00145   2.64403
    R5        2.04570   0.00032  -0.00008   0.00054   0.00046   2.04616
    R6        2.66674  -0.00064   0.00035  -0.00214  -0.00178   2.66497
    R7        2.79312  -0.00185  -0.00026  -0.00247  -0.00273   2.79039
    R8        2.64844  -0.00002   0.00016  -0.00152  -0.00136   2.64708
    R9        2.77750   0.00044   0.00069   0.00114   0.00184   2.77933
   R10        2.62075  -0.00008  -0.00007   0.00043   0.00037   2.62112
   R11        2.04829  -0.00010  -0.00007  -0.00028  -0.00035   2.04794
   R12        2.04829   0.00008  -0.00013   0.00025   0.00013   2.04841
   R13        2.67863  -0.00057   0.00033  -0.00257  -0.00225   2.67638
   R14        2.64572  -0.00064   0.00009  -0.00121  -0.00112   2.64460
   R15        2.84263  -0.00335  -0.00289   0.00271  -0.00019   2.84244
   R16        2.64559   0.00020   0.00068  -0.00160  -0.00092   2.64468
   R17        2.84226  -0.00290  -0.00237   0.00544   0.00306   2.84532
   R18        2.69796  -0.00639  -0.00379   0.00073  -0.00307   2.69488
   R19        2.43394   0.00279   0.00209  -0.00328  -0.00118   2.43276
   R20        2.63826   0.00008  -0.00006   0.00007   0.00001   2.63827
   R21        2.04536   0.00028   0.00002   0.00037   0.00039   2.04576
   R22        2.64281   0.00087   0.00092  -0.00118  -0.00025   2.64255
   R23        2.67418  -0.00006  -0.00019   0.00070   0.00050   2.67468
   R24        2.62512  -0.00051  -0.00087   0.00093   0.00006   2.62517
   R25        2.04857  -0.00000  -0.00025   0.00039   0.00014   2.04871
   R26        2.03947   0.00083   0.00043   0.00132   0.00175   2.04122
   R27        2.69785  -0.00397  -0.00158  -0.00088  -0.00246   2.69539
   R28        3.34109  -0.00794   0.00027  -0.02026  -0.02000   3.32110
   R29        2.67532  -0.00116   0.00079  -0.00475  -0.00395   2.67138
   R30        2.65880  -0.00228   0.00057  -0.00598  -0.00540   2.65340
   R31        2.60892   0.00247  -0.00152   0.00630   0.00480   2.61372
   R32        2.65532  -0.00073   0.00019  -0.00300  -0.00281   2.65251
   R33        2.62428  -0.00013  -0.00064   0.00157   0.00094   2.62521
   R34        2.03408   0.00153  -0.00051   0.00557   0.00506   2.03914
   R35        2.65343   0.00028   0.00091  -0.00253  -0.00163   2.65180
   R36        2.04930   0.00003   0.00014  -0.00029  -0.00015   2.04915
   R37        2.62260   0.00108  -0.00056   0.00392   0.00336   2.62597
   R38        2.67668   0.00031  -0.00072   0.00150   0.00079   2.67747
   R39        2.04781  -0.00003   0.00005  -0.00041  -0.00036   2.04746
   R40        2.65266   0.00013   0.00028  -0.00045  -0.00017   2.65249
   R41        2.65477  -0.00039   0.00017  -0.00073  -0.00056   2.65421
   R42        2.65044   0.00011   0.00036  -0.00150  -0.00114   2.64931
   R43        2.64995  -0.00006   0.00051  -0.00121  -0.00070   2.64925
   R44        2.65106  -0.00075   0.00079  -0.00231  -0.00152   2.64953
   R45        2.64705  -0.00007   0.00058  -0.00113  -0.00056   2.64650
   R46        2.67856  -0.00018  -0.00016  -0.00049  -0.00065   2.67791
   R47        2.64102  -0.00010   0.00010  -0.00077  -0.00067   2.64034
   R48        2.73693   0.00006   0.00023  -0.00071  -0.00049   2.73644
   R49        2.64521  -0.00015   0.00013  -0.00074  -0.00061   2.64460
   R50        2.67951  -0.00011   0.00009  -0.00021  -0.00012   2.67939
   R51        2.64529  -0.00036  -0.00018  -0.00056  -0.00074   2.64455
   R52        2.64186  -0.00018  -0.00013  -0.00027  -0.00040   2.64146
   R53        2.67790   0.00007   0.00018  -0.00052  -0.00034   2.67757
   R54        2.64124   0.00000  -0.00005  -0.00026  -0.00031   2.64092
   R55        2.73659  -0.00008   0.00003  -0.00072  -0.00068   2.73590
   R56        2.64452  -0.00007   0.00000  -0.00034  -0.00034   2.64418
   R57        2.67808   0.00006  -0.00007   0.00007  -0.00001   2.67807
   R58        2.64484  -0.00014   0.00011  -0.00065  -0.00054   2.64431
   R59        2.64177  -0.00015   0.00004  -0.00050  -0.00046   2.64131
   R60        2.67877   0.00009  -0.00010   0.00003  -0.00007   2.67870
   R61        2.64091  -0.00016  -0.00012  -0.00023  -0.00035   2.64056
   R62        2.73648  -0.00000   0.00031  -0.00094  -0.00063   2.73585
   R63        2.64581  -0.00037  -0.00007  -0.00070  -0.00077   2.64504
   R64        2.67983  -0.00017  -0.00017  -0.00028  -0.00045   2.67938
   R65        2.64485  -0.00009  -0.00002  -0.00034  -0.00036   2.64449
   R66        2.64140  -0.00008  -0.00023   0.00001  -0.00022   2.64118
   R67        2.62982   0.00000   0.00027  -0.00084  -0.00057   2.62925
   R68        2.05246   0.00004   0.00002   0.00005   0.00006   2.05252
   R69        2.65540  -0.00021  -0.00021  -0.00042  -0.00063   2.65477
   R70        2.05168  -0.00011  -0.00019  -0.00011  -0.00030   2.05138
   R71        2.63418  -0.00031  -0.00003  -0.00060  -0.00064   2.63355
   R72        2.05201   0.00014  -0.00041   0.00122   0.00081   2.05281
   R73        2.04909  -0.00005  -0.00003  -0.00061  -0.00064   2.04845
   R74        2.63254   0.00007   0.00001  -0.00011  -0.00009   2.63244
   R75        2.04963  -0.00023  -0.00069   0.00098   0.00030   2.04993
   R76        2.65594  -0.00029   0.00000  -0.00064  -0.00064   2.65530
   R77        2.05198   0.00004  -0.00004   0.00015   0.00010   2.05209
   R78        2.62962  -0.00008   0.00003  -0.00047  -0.00044   2.62919
   R79        2.05154  -0.00003  -0.00005  -0.00004  -0.00009   2.05144
   R80        2.05263  -0.00001  -0.00001  -0.00002  -0.00004   2.05260
   R81        2.62995  -0.00015  -0.00013  -0.00041  -0.00054   2.62940
   R82        2.05250   0.00005  -0.00045   0.00123   0.00078   2.05328
   R83        2.65459  -0.00017   0.00016  -0.00076  -0.00060   2.65399
   R84        2.05111   0.00008  -0.00005   0.00029   0.00024   2.05134
   R85        2.63238   0.00017   0.00019  -0.00015   0.00003   2.63242
   R86        2.05186   0.00008  -0.00007   0.00022   0.00015   2.05201
   R87        2.04765   0.00012   0.00007  -0.00021  -0.00014   2.04750
   R88        2.63312  -0.00007   0.00004  -0.00031  -0.00026   2.63286
   R89        2.04806   0.00004  -0.00006  -0.00007  -0.00013   2.04792
   R90        2.65471  -0.00012  -0.00000  -0.00057  -0.00057   2.65414
   R91        2.05215  -0.00002  -0.00003  -0.00009  -0.00012   2.05204
   R92        2.63019  -0.00034   0.00003  -0.00100  -0.00096   2.62922
   R93        2.05139   0.00001   0.00002  -0.00000   0.00001   2.05141
   R94        2.05258   0.00000  -0.00001   0.00000  -0.00001   2.05258
   R95        2.62996  -0.00006   0.00021  -0.00070  -0.00048   2.62948
   R96        2.05289  -0.00007  -0.00021   0.00005  -0.00016   2.05273
   R97        2.65540  -0.00011  -0.00007  -0.00042  -0.00049   2.65491
   R98        2.05136   0.00002  -0.00007   0.00011   0.00004   2.05140
   R99        2.63298  -0.00008   0.00011  -0.00039  -0.00029   2.63269
   R100       2.05216   0.00005  -0.00011   0.00028   0.00017   2.05233
   R101       2.04899   0.00005   0.00004  -0.00036  -0.00033   2.04867
   R102       2.63342  -0.00035  -0.00014  -0.00051  -0.00065   2.63276
   R103       2.04880   0.00001   0.00008  -0.00038  -0.00030   2.04850
   R104       2.65547  -0.00008   0.00012  -0.00068  -0.00056   2.65491
   R105       2.05205   0.00004   0.00003   0.00007   0.00010   2.05215
   R106       2.62974  -0.00012  -0.00003  -0.00043  -0.00046   2.62929
   R107       2.05184  -0.00013  -0.00006  -0.00025  -0.00031   2.05153
   R108       2.05231   0.00011  -0.00004   0.00038   0.00034   2.05266
   R109       2.78463  -0.00023   0.00032   0.00001   0.00033   2.78495
   R110       3.03069  -0.00472  -0.00063  -0.00067  -0.00130   3.02939
   R111       3.04893  -0.00244  -0.00352  -0.00462  -0.00814   3.04078
   R112       2.78407  -0.00460   0.00299  -0.00786  -0.00487   2.77920
   R113       2.76165  -0.00064  -0.00155   0.00205   0.00051   2.76216
   R114       2.86153   0.00011   0.00034   0.00004   0.00038   2.86191
   R115       2.05906   0.00258   0.00059   0.00186   0.00245   2.06151
   R116       2.06529   0.00017  -0.00013   0.00075   0.00062   2.06591
   R117       2.06902  -0.00001   0.00030  -0.00050  -0.00020   2.06882
   R118       2.06649   0.00012  -0.00055   0.00132   0.00077   2.06726
   R119       2.06403   0.00030   0.00012   0.00053   0.00064   2.06467
   R120       2.86165   0.00115   0.00195   0.00048   0.00243   2.86408
   R121       2.06881  -0.00079   0.00012  -0.00228  -0.00216   2.06665
   R122       2.06632   0.00013  -0.00062   0.00068   0.00006   2.06638
   R123       2.06886   0.00012  -0.00019   0.00057   0.00037   2.06923
   R124       2.06640  -0.00023  -0.00007  -0.00033  -0.00040   2.06600
   R125       2.06640   0.00009  -0.00027   0.00054   0.00026   2.06666
   R126       5.09594   0.00610   0.00666   0.07959   0.08625   5.18219
    A1        2.08674   0.00009   0.00067  -0.00097  -0.00030   2.08644
    A2        2.09405   0.00006  -0.00026   0.00144   0.00118   2.09523
    A3        2.10237  -0.00015  -0.00043  -0.00044  -0.00087   2.10150
    A4        2.11411  -0.00058  -0.00124  -0.00097  -0.00222   2.11189
    A5        2.06626   0.00056   0.00186   0.00122   0.00308   2.06934
    A6        2.10261   0.00001  -0.00057  -0.00045  -0.00102   2.10160
    A7        2.07343   0.00081   0.00094   0.00226   0.00321   2.07664
    A8        2.14462  -0.00082  -0.00111  -0.00030  -0.00141   2.14322
    A9        2.06051   0.00004  -0.00002  -0.00140  -0.00143   2.05908
   A10        2.09057  -0.00026  -0.00003  -0.00140  -0.00143   2.08914
   A11        2.09501  -0.00017   0.00001   0.00054   0.00057   2.09557
   A12        2.09734   0.00042  -0.00009   0.00081   0.00071   2.09805
   A13        2.10961  -0.00017  -0.00058   0.00010  -0.00048   2.10913
   A14        2.06734   0.00003   0.00005   0.00004   0.00009   2.06743
   A15        2.10623   0.00014   0.00053  -0.00014   0.00039   2.10662
   A16        2.09000   0.00010   0.00035   0.00052   0.00087   2.09087
   A17        2.08973  -0.00001  -0.00067   0.00085   0.00018   2.08991
   A18        2.10346  -0.00009   0.00031  -0.00136  -0.00105   2.10240
   A19        2.09505  -0.00003   0.00117  -0.00142  -0.00026   2.09479
   A20        2.10351  -0.00016  -0.00137  -0.00045  -0.00181   2.10170
   A21        2.07740   0.00024   0.00030   0.00166   0.00196   2.07935
   A22        2.06961  -0.00030  -0.00098   0.00067  -0.00033   2.06928
   A23        2.06937   0.00056  -0.00014   0.00070   0.00056   2.06993
   A24        2.13924  -0.00023   0.00098  -0.00142  -0.00042   2.13882
   A25        1.93353   0.00165   0.00440  -0.00600  -0.00156   1.93197
   A26        2.06001  -0.00028   0.00495  -0.01429  -0.00925   2.05076
   A27        2.01492  -0.00030   0.00216  -0.00661  -0.00438   2.01054
   A28        2.02979  -0.00089   0.00163  -0.00636  -0.00468   2.02512
   A29        2.08005   0.00227  -0.00004   0.00385   0.00385   2.08391
   A30        2.17040  -0.00134  -0.00096   0.00173   0.00081   2.17121
   A31        2.12067  -0.00046  -0.00064  -0.00112  -0.00177   2.11891
   A32        2.09749  -0.00011  -0.00102  -0.00042  -0.00144   2.09605
   A33        2.06452   0.00057   0.00173   0.00138   0.00312   2.06764
   A34        2.07879   0.00033   0.00024   0.00054   0.00078   2.07957
   A35        2.09984  -0.00051  -0.00024  -0.00007  -0.00031   2.09953
   A36        2.10391   0.00019   0.00003  -0.00061  -0.00057   2.10333
   A37        2.09171  -0.00016   0.00011   0.00003   0.00014   2.09185
   A38        2.09178   0.00016  -0.00012   0.00065   0.00054   2.09232
   A39        2.09929   0.00001   0.00010  -0.00084  -0.00074   2.09856
   A40        2.12231  -0.00047  -0.00029  -0.00057  -0.00086   2.12144
   A41        2.10355  -0.00034  -0.00071  -0.00070  -0.00139   2.10216
   A42        2.05579   0.00080   0.00125   0.00101   0.00229   2.05808
   A43        2.08196   0.00447  -0.00028   0.00420   0.00389   2.08585
   A44        2.06409  -0.01160  -0.00133   0.00363   0.00230   2.06639
   A45        2.08769   0.00606   0.00185  -0.00894  -0.00708   2.08061
   A46        2.07482  -0.00158  -0.00008   0.00099   0.00091   2.07573
   A47        2.16280  -0.00173  -0.00041  -0.01162  -0.01203   2.15077
   A48        2.04523   0.00332   0.00044   0.01050   0.01095   2.05618
   A49        2.14289  -0.00122   0.00002  -0.00282  -0.00277   2.14012
   A50        2.11004  -0.00145   0.00003  -0.00593  -0.00590   2.10414
   A51        2.03010   0.00268  -0.00000   0.00866   0.00864   2.03874
   A52        2.07982   0.00001  -0.00059   0.00114   0.00058   2.08040
   A53        2.11733  -0.00158  -0.00061  -0.00482  -0.00542   2.11191
   A54        2.10763   0.00012   0.00203  -0.00389  -0.00187   2.10577
   A55        2.05820   0.00146  -0.00143   0.00872   0.00729   2.06549
   A56        2.11758  -0.00047   0.00003  -0.00193  -0.00191   2.11567
   A57        2.08075   0.00012   0.00076  -0.00106  -0.00030   2.08045
   A58        2.08486   0.00035  -0.00079   0.00298   0.00219   2.08705
   A59        2.06146   0.00096   0.00082   0.00264   0.00345   2.06491
   A60        2.10743  -0.00037  -0.00052  -0.00035  -0.00086   2.10657
   A61        2.11428  -0.00059  -0.00032  -0.00226  -0.00258   2.11171
   A62        2.11436  -0.00078  -0.00071  -0.00045  -0.00116   2.11319
   A63        2.04927   0.00023   0.00036  -0.00084  -0.00047   2.04879
   A64        2.11955   0.00055   0.00035   0.00127   0.00161   2.12116
   A65        2.19728  -0.00005   0.00053  -0.00117  -0.00064   2.19664
   A66        2.19661   0.00004  -0.00079   0.00216   0.00137   2.19798
   A67        1.88927   0.00001   0.00024  -0.00096  -0.00072   1.88855
   A68        2.19065   0.00021  -0.00013  -0.00048  -0.00061   2.19004
   A69        2.20123  -0.00024  -0.00000   0.00068   0.00067   2.20191
   A70        1.89125   0.00003   0.00012  -0.00020  -0.00007   1.89118
   A71        2.19614  -0.00011  -0.00011  -0.00002  -0.00013   2.19601
   A72        2.19610  -0.00017   0.00012  -0.00034  -0.00022   2.19588
   A73        1.89031   0.00028  -0.00003   0.00030   0.00028   1.89059
   A74        1.90028   0.00002  -0.00011   0.00085   0.00074   1.90103
   A75        2.25906  -0.00005  -0.00034  -0.00052  -0.00086   2.25820
   A76        2.12298   0.00003   0.00045  -0.00023   0.00022   2.12320
   A77        1.86672  -0.00008   0.00012  -0.00085  -0.00073   1.86599
   A78        2.08640  -0.00002  -0.00034   0.00031  -0.00003   2.08637
   A79        2.32995   0.00010   0.00020   0.00059   0.00079   2.33075
   A80        1.86611   0.00012   0.00015   0.00023   0.00038   1.86649
   A81        2.32980   0.00001   0.00004  -0.00037  -0.00033   2.32947
   A82        2.08719  -0.00014  -0.00020   0.00012  -0.00008   2.08711
   A83        1.90038  -0.00009  -0.00028  -0.00004  -0.00032   1.90006
   A84        2.26274  -0.00016  -0.00011   0.00008  -0.00003   2.26271
   A85        2.11943   0.00025   0.00040  -0.00015   0.00024   2.11968
   A86        1.90098  -0.00004  -0.00034   0.00097   0.00063   1.90162
   A87        2.26111   0.00019  -0.00010   0.00046   0.00036   2.26147
   A88        2.12018  -0.00014   0.00042  -0.00141  -0.00100   2.11918
   A89        1.86709  -0.00004   0.00015  -0.00045  -0.00029   1.86680
   A90        2.08802   0.00004  -0.00037   0.00101   0.00064   2.08866
   A91        2.32795  -0.00000   0.00023  -0.00057  -0.00033   2.32762
   A92        1.86713  -0.00002   0.00011  -0.00017  -0.00007   1.86706
   A93        2.32795  -0.00003  -0.00004  -0.00055  -0.00059   2.32736
   A94        2.08804   0.00005  -0.00007   0.00074   0.00066   2.08871
   A95        1.90031   0.00010  -0.00017   0.00061   0.00045   1.90075
   A96        2.26416  -0.00006  -0.00012   0.00038   0.00026   2.26442
   A97        2.11795  -0.00004   0.00024  -0.00090  -0.00066   2.11729
   A98        1.90096  -0.00010  -0.00023   0.00015  -0.00008   1.90088
   A99        2.26016  -0.00000  -0.00033   0.00074   0.00041   2.26057
   A100       2.12164   0.00010   0.00053  -0.00086  -0.00033   2.12131
   A101       1.86604   0.00001   0.00022  -0.00018   0.00004   1.86607
   A102       2.08689  -0.00014  -0.00035   0.00018  -0.00017   2.08672
   A103       2.33020   0.00013   0.00012   0.00002   0.00014   2.33035
   A104       1.86561  -0.00009   0.00010  -0.00033  -0.00022   1.86539
   A105       2.33143   0.00006  -0.00007  -0.00014  -0.00021   2.33122
   A106       2.08606   0.00003  -0.00003   0.00048   0.00046   2.08652
   A107       1.90185  -0.00010  -0.00007   0.00006  -0.00001   1.90184
   A108       2.25940   0.00007  -0.00028   0.00069   0.00041   2.25981
   A109       2.12134   0.00003   0.00034  -0.00073  -0.00040   2.12095
   A110       2.08037  -0.00002  -0.00000   0.00008   0.00008   2.08044
   A111       2.10035  -0.00007  -0.00013  -0.00022  -0.00034   2.10001
   A112       2.10244   0.00009   0.00013   0.00013   0.00026   2.10271
   A113       2.10382   0.00001  -0.00006  -0.00023  -0.00029   2.10354
   A114       2.09156   0.00003   0.00008   0.00016   0.00024   2.09180
   A115       2.08776  -0.00004  -0.00002   0.00006   0.00004   2.08780
   A116       2.11868   0.00010   0.00026   0.00045   0.00071   2.11938
   A117       2.08597  -0.00000   0.00007  -0.00035  -0.00028   2.08570
   A118       2.07851  -0.00009  -0.00032  -0.00013  -0.00045   2.07806
   A119       2.05658  -0.00021  -0.00038  -0.00029  -0.00067   2.05591
   A120       2.11870   0.00007   0.00013   0.00024   0.00037   2.11907
   A121       2.10774   0.00014   0.00027   0.00006   0.00033   2.10807
   A122       2.05317  -0.00005  -0.00026  -0.00000  -0.00026   2.05292
   A123       2.11841   0.00011   0.00022  -0.00005   0.00016   2.11858
   A124       2.11155  -0.00006   0.00004   0.00006   0.00010   2.11165
   A125       2.12024   0.00001  -0.00001   0.00014   0.00013   2.12037
   A126       2.07674   0.00011   0.00032   0.00021   0.00053   2.07726
   A127       2.08618  -0.00011  -0.00031  -0.00034  -0.00064   2.08554
   A128       2.10455  -0.00001   0.00009  -0.00021  -0.00011   2.10444
   A129       2.08668   0.00005   0.00010   0.00022   0.00032   2.08700
   A130       2.09194  -0.00003  -0.00019  -0.00002  -0.00021   2.09173
   A131       2.07882   0.00005   0.00007   0.00000   0.00007   2.07888
   A132       2.10090  -0.00006  -0.00016   0.00004  -0.00012   2.10078
   A133       2.10346   0.00001   0.00009  -0.00004   0.00005   2.10351
   A134       2.08048  -0.00002  -0.00006  -0.00023  -0.00029   2.08019
   A135       2.09946   0.00000  -0.00021   0.00040   0.00020   2.09966
   A136       2.10324   0.00002   0.00026  -0.00017   0.00009   2.10334
   A137       2.10283   0.00006   0.00011  -0.00004   0.00008   2.10291
   A138       2.09202   0.00002   0.00017  -0.00006   0.00012   2.09213
   A139       2.08834  -0.00007  -0.00029   0.00009  -0.00020   2.08814
   A140       2.11908  -0.00001  -0.00001   0.00009   0.00008   2.11915
   A141       2.08885  -0.00004  -0.00009  -0.00002  -0.00011   2.08874
   A142       2.07526   0.00005   0.00010  -0.00007   0.00003   2.07529
   A143       2.05761  -0.00004  -0.00023   0.00040   0.00017   2.05778
   A144       2.12132  -0.00001   0.00016  -0.00016   0.00000   2.12132
   A145       2.10424   0.00006   0.00006  -0.00024  -0.00018   2.10406
   A146       2.05506  -0.00000  -0.00021   0.00049   0.00028   2.05534
   A147       2.12069  -0.00005  -0.00026  -0.00019  -0.00045   2.12024
   A148       2.10741   0.00005   0.00047  -0.00033   0.00014   2.10755
   A149       2.12005   0.00006  -0.00008   0.00045   0.00037   2.12042
   A150       2.07799  -0.00011  -0.00035  -0.00013  -0.00048   2.07751
   A151       2.08513   0.00004   0.00043  -0.00032   0.00011   2.08524
   A152       2.10350  -0.00001   0.00018  -0.00064  -0.00046   2.10304
   A153       2.08786  -0.00003  -0.00009   0.00016   0.00007   2.08794
   A154       2.09179   0.00003  -0.00009   0.00048   0.00039   2.09218
   A155       2.07924   0.00005   0.00004   0.00008   0.00011   2.07935
   A156       2.09991   0.00001   0.00007   0.00010   0.00017   2.10008
   A157       2.10402  -0.00006  -0.00011  -0.00018  -0.00029   2.10373
   A158       2.08028  -0.00006  -0.00022  -0.00002  -0.00024   2.08004
   A159       2.10070  -0.00006  -0.00016  -0.00011  -0.00027   2.10043
   A160       2.10219   0.00012   0.00038   0.00012   0.00050   2.10269
   A161       2.10392   0.00004   0.00013  -0.00011   0.00002   2.10394
   A162       2.09219  -0.00005  -0.00027   0.00005  -0.00022   2.09197
   A163       2.08705   0.00002   0.00015   0.00006   0.00020   2.08725
   A164       2.11950  -0.00000   0.00002   0.00010   0.00012   2.11962
   A165       2.08582  -0.00007  -0.00002  -0.00045  -0.00047   2.08534
   A166       2.07785   0.00007   0.00000   0.00035   0.00035   2.07821
   A167       2.05507  -0.00004  -0.00025   0.00027   0.00002   2.05509
   A168       2.11754   0.00005   0.00015   0.00007   0.00022   2.11776
   A169       2.11054  -0.00001   0.00010  -0.00035  -0.00025   2.11029
   A170       2.05462  -0.00009  -0.00044   0.00057   0.00013   2.05475
   A171       2.11852   0.00003   0.00026  -0.00032  -0.00006   2.11846
   A172       2.11003   0.00006   0.00018  -0.00024  -0.00007   2.10996
   A173       2.11954   0.00008   0.00025   0.00011   0.00036   2.11990
   A174       2.07851  -0.00010  -0.00030  -0.00001  -0.00032   2.07820
   A175       2.08513   0.00002   0.00005  -0.00009  -0.00004   2.08509
   A176       2.10456  -0.00005  -0.00016  -0.00047  -0.00063   2.10392
   A177       2.08683   0.00004   0.00007   0.00028   0.00035   2.08718
   A178       2.09179   0.00001   0.00009   0.00019   0.00028   2.09208
   A179       2.07899   0.00009   0.00015   0.00047   0.00062   2.07961
   A180       2.10109  -0.00012  -0.00029  -0.00028  -0.00058   2.10051
   A181       2.10309   0.00003   0.00014  -0.00019  -0.00005   2.10304
   A182       2.01738  -0.00396  -0.00338  -0.00434  -0.00770   2.00968
   A183       1.85431  -0.00746  -0.00582   0.00595   0.00016   1.85447
   A184       1.71782   0.00777  -0.00166  -0.00427  -0.00593   1.71189
   A185       2.02502   0.00130   0.00081  -0.00555  -0.00470   2.02031
   A186       2.04037  -0.00130   0.00783   0.00168   0.00950   2.04987
   A187       1.76770   0.00489   0.00150   0.00844   0.00996   1.77766
   A188       2.11955  -0.01995  -0.00879  -0.00424  -0.01303   2.10652
   A189       2.06077   0.00183   0.01115  -0.01021   0.00093   2.06171
   A190       1.89565   0.00270  -0.00062   0.00369   0.00307   1.89872
   A191       1.89710  -0.00510  -0.00421   0.01080   0.00659   1.90369
   A192       1.84374   0.00155   0.00065   0.00071   0.00136   1.84511
   A193       1.95252  -0.00190   0.00184  -0.00416  -0.00233   1.95019
   A194       1.95779  -0.00155   0.00081  -0.00485  -0.00405   1.95374
   A195       1.91288   0.00430   0.00120  -0.00519  -0.00400   1.90888
   A196       1.91072  -0.00024  -0.00064  -0.00069  -0.00134   1.90938
   A197       1.93848   0.00030   0.00090   0.00023   0.00114   1.93962
   A198       1.93209  -0.00010  -0.00121   0.00235   0.00114   1.93322
   A199       1.89162  -0.00002  -0.00030   0.00064   0.00034   1.89197
   A200       1.89067   0.00003   0.00042  -0.00209  -0.00167   1.88901
   A201       1.89917   0.00003   0.00085  -0.00053   0.00031   1.89948
   A202       1.91334   0.00062   0.00218  -0.00055   0.00163   1.91498
   A203       1.85202  -0.00078  -0.00377  -0.00310  -0.00687   1.84515
   A204       1.92170  -0.00027  -0.00122  -0.00056  -0.00177   1.91994
   A205       1.94980   0.00024  -0.00083   0.00296   0.00213   1.95193
   A206       1.94396  -0.00024   0.00233  -0.00143   0.00090   1.94486
   A207       1.88065   0.00039   0.00095   0.00262   0.00357   1.88422
   A208       1.91467   0.00042   0.00118   0.00041   0.00160   1.91626
   A209       1.93298  -0.00049   0.00028  -0.00109  -0.00081   1.93217
   A210       1.93033   0.00024   0.00013  -0.00016  -0.00003   1.93030
   A211       1.89452  -0.00007  -0.00048  -0.00028  -0.00076   1.89375
   A212       1.89200  -0.00028  -0.00078  -0.00013  -0.00091   1.89109
   A213       1.89848   0.00017  -0.00038   0.00127   0.00089   1.89937
   A214       2.34625  -0.01491  -0.00152   0.00755   0.00603   2.35229
    D1       -0.00213  -0.00003  -0.00082   0.00142   0.00060  -0.00153
    D2        3.11770  -0.00015   0.00267  -0.00896  -0.00631   3.11140
    D3        3.13112  -0.00000  -0.00251   0.00486   0.00235   3.13348
    D4       -0.03223  -0.00011   0.00097  -0.00552  -0.00455  -0.03678
    D5       -0.03421  -0.00001   0.00166  -0.00480  -0.00314  -0.03735
    D6        3.10624   0.00002  -0.00027  -0.00026  -0.00053   3.10571
    D7        3.11577  -0.00005   0.00336  -0.00827  -0.00491   3.11086
    D8       -0.02698  -0.00001   0.00143  -0.00373  -0.00230  -0.02928
    D9        2.29897  -0.00035  -0.00141  -0.00247  -0.00389   2.29509
   D10       -0.85128  -0.00026  -0.00349   0.00250  -0.00099  -0.85227
   D11       -0.85103  -0.00032  -0.00311   0.00100  -0.00211  -0.85315
   D12        2.28190  -0.00023  -0.00519   0.00597   0.00078   2.28268
   D13        0.05121   0.00008  -0.00088   0.00492   0.00404   0.05525
   D14       -2.98507  -0.00026   0.00115  -0.00138  -0.00023  -2.98530
   D15       -3.06817   0.00018  -0.00446   0.01549   0.01102  -3.05715
   D16        0.17874  -0.00015  -0.00242   0.00919   0.00675   0.18549
   D17       -0.06436  -0.00005   0.00174  -0.00779  -0.00606  -0.07042
   D18        3.05222  -0.00017  -0.00254  -0.00979  -0.01234   3.03988
   D19        2.97702   0.00021  -0.00027  -0.00175  -0.00201   2.97501
   D20       -0.18959   0.00010  -0.00455  -0.00374  -0.00829  -0.19788
   D21       -2.93691   0.00041  -0.00385   0.02368   0.01983  -2.91708
   D22        0.33484  -0.00008  -0.00478   0.02549   0.02070   0.35554
   D23        0.30926   0.00003  -0.00189   0.01722   0.01534   0.32459
   D24       -2.70218  -0.00045  -0.00282   0.01903   0.01621  -2.68597
   D25        0.02916  -0.00004  -0.00097   0.00443   0.00346   0.03262
   D26       -3.11204  -0.00004  -0.00184   0.00277   0.00092  -3.11112
   D27       -3.08738   0.00009   0.00332   0.00643   0.00975  -3.07764
   D28        0.05460   0.00008   0.00244   0.00477   0.00721   0.06181
   D29       -0.36440   0.00049   0.01157  -0.01417  -0.00259  -0.36698
   D30        2.85584   0.00004   0.00135  -0.00376  -0.00240   2.85345
   D31        2.75209   0.00036   0.00727  -0.01621  -0.00893   2.74315
   D32       -0.31086  -0.00009  -0.00295  -0.00580  -0.00874  -0.31960
   D33        0.02062   0.00004  -0.00078   0.00188   0.00110   0.02172
   D34       -3.11981   0.00001   0.00116  -0.00269  -0.00153  -3.12134
   D35       -3.12137   0.00005   0.00012   0.00358   0.00369  -3.11767
   D36        0.02138   0.00002   0.00206  -0.00100   0.00106   0.02245
   D37        0.14111  -0.00058   0.00105  -0.01051  -0.00947   0.13164
   D38       -2.89638  -0.00083   0.00244  -0.00985  -0.00741  -2.90379
   D39       -3.12870  -0.00013   0.00185  -0.01244  -0.01061  -3.13931
   D40        0.11700  -0.00038   0.00323  -0.01178  -0.00855   0.10845
   D41        2.95204   0.00076  -0.00006   0.00719   0.00713   2.95917
   D42       -0.15483   0.00062  -0.00291   0.01267   0.00975  -0.14507
   D43       -0.06070   0.00031  -0.00105   0.00921   0.00816  -0.05254
   D44        3.11562   0.00016  -0.00390   0.01469   0.01078   3.12640
   D45       -0.65993   0.00005   0.00438  -0.00681  -0.00245  -0.66238
   D46       -3.03841  -0.00110  -0.01028   0.02645   0.01621  -3.02220
   D47        2.37315   0.00035   0.00286  -0.00736  -0.00453   2.36862
   D48       -0.00533  -0.00079  -0.01180   0.02590   0.01413   0.00880
   D49       -0.08801   0.00029  -0.00214   0.00459   0.00245  -0.08556
   D50        2.99270   0.00030   0.00374  -0.00060   0.00314   2.99584
   D51       -3.12111   0.00003  -0.00056   0.00515   0.00458  -3.11652
   D52       -0.04039   0.00004   0.00532  -0.00005   0.00527  -0.03512
   D53        0.76672  -0.00021  -0.01018   0.01769   0.00754   0.77427
   D54       -2.45805   0.00045   0.00067   0.00676   0.00747  -2.45058
   D55       -3.11671   0.00088   0.00527  -0.01827  -0.01299  -3.12970
   D56       -0.05831   0.00154   0.01612  -0.02920  -0.01306  -0.07136
   D57        2.39891   0.00172   0.00752  -0.00597   0.00158   2.40049
   D58       -1.07634  -0.00061   0.00864  -0.01133  -0.00268  -1.07903
   D59        0.05484  -0.00029  -0.00876   0.02877   0.02002   0.07486
   D60        2.86277  -0.00262  -0.00764   0.02341   0.01575   2.87852
   D61        3.09475  -0.00069   0.00006  -0.00169  -0.00161   3.09314
   D62        0.03857  -0.00122  -0.01112   0.00999  -0.00115   0.03742
   D63       -0.02832  -0.00003  -0.00226   0.00099  -0.00127  -0.02959
   D64       -3.13137  -0.00002  -0.00325   0.00485   0.00160  -3.12977
   D65        3.07918   0.00011   0.00050  -0.00442  -0.00393   3.07524
   D66       -0.02387   0.00011  -0.00049  -0.00056  -0.00106  -0.02493
   D67        0.05953  -0.00012   0.00336  -0.00851  -0.00515   0.05438
   D68       -3.05163  -0.00011  -0.00054  -0.00252  -0.00306  -3.05469
   D69       -3.12070  -0.00015   0.00435  -0.01237  -0.00802  -3.12872
   D70        0.05132  -0.00013   0.00045  -0.00638  -0.00593   0.04539
   D71       -2.25752   0.00017  -0.00365   0.01172   0.00807  -2.24946
   D72        0.89631   0.00003  -0.00263   0.01180   0.00917   0.90549
   D73        0.92317   0.00017  -0.00466   0.01561   0.01095   0.93412
   D74       -2.20618   0.00004  -0.00364   0.01569   0.01205  -2.19412
   D75       -0.00081  -0.00002  -0.00115   0.00570   0.00455   0.00374
   D76       -3.08312   0.00001  -0.00683   0.01081   0.00399  -3.07913
   D77        3.11022  -0.00003   0.00277  -0.00028   0.00248   3.11270
   D78        0.02790  -0.00001  -0.00291   0.00483   0.00192   0.02983
   D79       -0.03767  -0.00084  -0.00176  -0.01236  -0.01412  -0.05179
   D80        3.13253  -0.00114   0.00003  -0.00755  -0.00757   3.12496
   D81       -2.84104   0.00493  -0.00227  -0.00940  -0.01166  -2.85270
   D82        0.32916   0.00464  -0.00048  -0.00459  -0.00510   0.32406
   D83        0.14917  -0.00028  -0.00818   0.02287   0.01467   0.16384
   D84       -2.12425   0.00758  -0.00176   0.02862   0.02688  -2.09737
   D85        2.33635   0.00143  -0.00150   0.01972   0.01824   2.35459
   D86        2.95597  -0.00295  -0.00748   0.02008   0.01257   2.96854
   D87        0.68256   0.00491  -0.00106   0.02583   0.02477   0.70733
   D88       -1.14003  -0.00124  -0.00081   0.01693   0.01613  -1.12390
   D89        0.01630   0.00112   0.00766  -0.00875  -0.00109   0.01521
   D90       -3.10512   0.00017   0.00381  -0.00335   0.00047  -3.10465
   D91        3.13120   0.00132   0.00597  -0.01358  -0.00766   3.12354
   D92        0.00979   0.00037   0.00212  -0.00819  -0.00610   0.00369
   D93        3.12715  -0.00023  -0.00384   0.00218  -0.00163   3.12552
   D94       -0.02161   0.00003  -0.00527   0.00348  -0.00176  -0.02337
   D95        0.01372  -0.00044  -0.00207   0.00705   0.00500   0.01872
   D96       -3.13504  -0.00019  -0.00350   0.00835   0.00487  -3.13017
   D97       -0.01664  -0.00017  -0.00115   0.00987   0.00868  -0.00796
   D98        3.10563   0.00070   0.00254   0.00455   0.00703   3.11266
   D99       -0.02561  -0.00004  -0.00061   0.00406   0.00344  -0.02216
   D100       3.11227   0.00008   0.00121  -0.00261  -0.00140   3.11087
   D101       3.13491  -0.00089  -0.00422   0.00924   0.00503   3.13994
   D102      -0.01040  -0.00077  -0.00240   0.00257   0.00019  -0.01021
   D103      -0.02232   0.00023   0.00052  -0.00166  -0.00112  -0.02344
   D104       3.11676   0.00015   0.00101  -0.00526  -0.00424   3.11252
   D105       3.12624  -0.00002   0.00189  -0.00288  -0.00096   3.12528
   D106      -0.01786  -0.00010   0.00238  -0.00648  -0.00408  -0.02194
   D107       0.00654   0.00012   0.00105  -0.00271  -0.00167   0.00488
   D108      -3.14065   0.00001  -0.00105   0.00315   0.00211  -3.13855
   D109      -3.13253   0.00020   0.00055   0.00091   0.00147  -3.13106
   D110       0.00346   0.00009  -0.00154   0.00677   0.00524   0.00870
   D111       0.01712  -0.00019  -0.00098   0.00159   0.00060   0.01772
   D112      -3.12060  -0.00031  -0.00288   0.00853   0.00565  -3.11496
   D113      -3.11884  -0.00008   0.00112  -0.00431  -0.00319  -3.12204
   D114       0.02662  -0.00020  -0.00078   0.00263   0.00186   0.02847
   D115      -2.18552   0.00014  -0.00132   0.00532   0.00401  -2.18151
   D116       0.91331   0.00027  -0.00179   0.00337   0.00158   0.91489
   D117       0.95030   0.00004  -0.00347   0.01138   0.00790   0.95820
   D118      -2.23406   0.00016  -0.00394   0.00943   0.00548  -2.22858
   D119       3.13552   0.00001  -0.00048   0.00104   0.00057   3.13609
   D120      -0.05217   0.00000  -0.00111   0.00150   0.00039  -0.05178
   D121       0.00132  -0.00007   0.00130  -0.00321  -0.00191  -0.00059
   D122       3.09681  -0.00007   0.00067  -0.00275  -0.00209   3.09473
   D123      -3.13467  -0.00001   0.00078  -0.00136  -0.00058  -3.13524
   D124      -0.03532   0.00002  -0.00054   0.00119   0.00065  -0.03467
   D125      -0.00046   0.00007  -0.00099   0.00288   0.00189   0.00143
   D126       3.09889   0.00010  -0.00230   0.00542   0.00312   3.10201
   D127      -3.13910  -0.00003   0.00176  -0.00097   0.00079  -3.13831
   D128       0.04733  -0.00010   0.00170  -0.00364  -0.00195   0.04538
   D129      -0.00792   0.00009   0.00089  -0.00103  -0.00015  -0.00807
   D130      -3.10468   0.00001   0.00083  -0.00371  -0.00288  -3.10756
   D131       3.13757   0.00004  -0.00150   0.00074  -0.00076   3.13681
   D132       0.03450   0.00013  -0.00188   0.00417   0.00229   0.03679
   D133       0.00648  -0.00008  -0.00062   0.00081   0.00019   0.00667
   D134      -3.09659   0.00001  -0.00100   0.00424   0.00324  -3.09335
   D135       3.10619   0.00010  -0.00015  -0.00077  -0.00092   3.10527
   D136      -0.00376   0.00007   0.00085  -0.00185  -0.00100  -0.00476
   D137       0.00112  -0.00000   0.00025   0.00091   0.00116   0.00228
   D138      -3.10883  -0.00003   0.00125  -0.00017   0.00108  -3.10775
   D139      -3.10721  -0.00010   0.00012   0.00068   0.00080  -3.10641
   D140       0.07163  -0.00012   0.00043   0.00023   0.00066   0.07229
   D141      -0.00214   0.00000  -0.00028  -0.00100  -0.00128  -0.00342
   D142      -3.10649  -0.00002   0.00002  -0.00144  -0.00142  -3.10790
   D143       0.00624  -0.00006  -0.00080   0.00085   0.00004   0.00628
   D144      -3.12152  -0.00009   0.00007  -0.00192  -0.00185  -3.12337
   D145       3.10717   0.00001  -0.00077   0.00326   0.00249   3.10966
   D146      -0.02060  -0.00002   0.00011   0.00049   0.00060  -0.02000
   D147       3.11288   0.00009   0.00031   0.00181   0.00212   3.11499
   D148      -0.01781   0.00008   0.00041   0.00116   0.00157  -0.01625
   D149       0.02112   0.00000   0.00025  -0.00119  -0.00093   0.02018
   D150      -3.10957  -0.00001   0.00035  -0.00184  -0.00148  -3.11106
   D151      -0.00224   0.00001   0.00042  -0.00034   0.00008  -0.00216
   D152       3.12458  -0.00001  -0.00022  -0.00192  -0.00214   3.12245
   D153       3.12277   0.00004  -0.00064   0.00297   0.00233   3.12511
   D154      -0.03359   0.00002  -0.00128   0.00139   0.00012  -0.03347
   D155       0.00585   0.00000  -0.00046   0.00043  -0.00003   0.00582
   D156       3.14121   0.00000  -0.00078   0.00169   0.00091  -3.14107
   D157      -3.11751  -0.00003   0.00070  -0.00320  -0.00251  -3.12002
   D158       0.01784  -0.00003   0.00038  -0.00194  -0.00157   0.01628
   D159      -0.00257   0.00004   0.00012  -0.00028  -0.00016  -0.00274
   D160       3.10426  -0.00005   0.00045  -0.00337  -0.00292   3.10134
   D161      -3.13184   0.00005   0.00065   0.00104   0.00169  -3.13015
   D162      -0.02501  -0.00003   0.00098  -0.00205  -0.00107  -0.02608
   D163      -3.11775   0.00003  -0.00063   0.00437   0.00374  -3.11401
   D164       0.01719   0.00003   0.00086   0.00224   0.00310   0.02029
   D165       0.00759   0.00002  -0.00132   0.00263   0.00131   0.00890
   D166      -3.14065   0.00001   0.00017   0.00050   0.00067  -3.13998
   D167       3.12215  -0.00008   0.00070  -0.00392  -0.00322   3.11893
   D168      -0.00002  -0.00013  -0.00103  -0.00406  -0.00509  -0.00511
   D169       0.02327   0.00003   0.00030  -0.00012   0.00018   0.02345
   D170      -3.09890  -0.00002  -0.00143  -0.00026  -0.00170  -3.10059
   D171      -0.00164   0.00004  -0.00110   0.00229   0.00119  -0.00045
   D172       3.12507   0.00003   0.00034   0.00200   0.00234   3.12741
   D173      -3.10156   0.00004  -0.00051   0.00182   0.00131  -3.10025
   D174       0.02515   0.00003   0.00093   0.00153   0.00246   0.02761
   D175      -3.11584   0.00000   0.00005  -0.00148  -0.00142  -3.11727
   D176       0.01749  -0.00008  -0.00007  -0.00435  -0.00443   0.01306
   D177      -0.02539   0.00000  -0.00067  -0.00090  -0.00157  -0.02696
   D178       3.10794  -0.00008  -0.00080  -0.00378  -0.00458   3.10336
   D179       0.00134   0.00000   0.00049  -0.00052  -0.00003   0.00131
   D180      -3.12742  -0.00002   0.00046  -0.00169  -0.00122  -3.12864
   D181      -3.12246   0.00001  -0.00123  -0.00019  -0.00142  -3.12388
   D182       0.03197  -0.00001  -0.00126  -0.00136  -0.00262   0.02936
   D183      -0.00677  -0.00003  -0.00061  -0.00090  -0.00151  -0.00828
   D184       3.14077   0.00000  -0.00046   0.00059   0.00013   3.14090
   D185       3.11524  -0.00004   0.00128  -0.00127   0.00001   3.11526
   D186      -0.02040  -0.00001   0.00144   0.00021   0.00165  -0.01875
   D187      -0.00055  -0.00004   0.00030  -0.00144  -0.00114  -0.00169
   D188      -3.10410  -0.00007   0.00149  -0.00376  -0.00227  -3.10637
   D189       3.13031  -0.00002   0.00032  -0.00047  -0.00015   3.13015
   D190       0.02676  -0.00005   0.00152  -0.00280  -0.00128   0.02548
   D191       3.12100   0.00004  -0.00164   0.00340   0.00176   3.12277
   D192      -0.01805   0.00007  -0.00021   0.00270   0.00249  -0.01556
   D193      -0.00646   0.00002  -0.00167   0.00212   0.00045  -0.00601
   D194       3.13767   0.00004  -0.00024   0.00141   0.00118   3.13885
   D195      -3.12353   0.00002   0.00143  -0.00138   0.00005  -3.12348
   D196       0.01240  -0.00003  -0.00057  -0.00079  -0.00137   0.01104
   D197      -0.02874   0.00006  -0.00004   0.00147   0.00143  -0.02731
   D198       3.10719   0.00001  -0.00204   0.00206   0.00002   3.10721
   D199       0.00030   0.00000  -0.00012  -0.00047  -0.00059  -0.00029
   D200      -3.13147   0.00000  -0.00004  -0.00133  -0.00136  -3.13283
   D201       3.11324   0.00003  -0.00104   0.00054  -0.00051   3.11273
   D202      -0.01853   0.00003  -0.00096  -0.00032  -0.00128  -0.01981
   D203       3.12191   0.00004  -0.00041   0.00159   0.00118   3.12309
   D204      -0.01399   0.00002   0.00013   0.00080   0.00093  -0.01306
   D205       0.01545   0.00002   0.00071   0.00038   0.00109   0.01654
   D206      -3.12045  -0.00001   0.00125  -0.00041   0.00084  -3.11961
   D207      -0.00158   0.00000  -0.00005  -0.00014  -0.00019  -0.00176
   D208       3.12583   0.00001   0.00113   0.00119   0.00232   3.12816
   D209       3.12823  -0.00000  -0.00016   0.00089   0.00074   3.12897
   D210      -0.02754   0.00001   0.00102   0.00223   0.00325  -0.02430
   D211       0.00858  -0.00006   0.00048   0.00005   0.00053   0.00911
   D212      -3.13925  -0.00002   0.00025   0.00006   0.00032  -3.13894
   D213      -3.12005  -0.00006   0.00059  -0.00108  -0.00049  -3.12054
   D214       0.01530  -0.00002   0.00037  -0.00107  -0.00070   0.01460
   D215       0.00229  -0.00000   0.00020   0.00070   0.00090   0.00319
   D216       3.11014   0.00002  -0.00009   0.00113   0.00104   3.11119
   D217      -3.12749  -0.00001  -0.00077  -0.00041  -0.00118  -3.12868
   D218      -0.01964   0.00000  -0.00107   0.00003  -0.00104  -0.02068
   D219      -3.12063  -0.00001  -0.00053  -0.00168  -0.00221  -3.12284
   D220       0.01567  -0.00001  -0.00074  -0.00280  -0.00354   0.01213
   D221       0.00537   0.00000   0.00077  -0.00022   0.00054   0.00591
   D222      -3.14152   0.00000   0.00055  -0.00134  -0.00079   3.14088
   D223       3.11979   0.00002   0.00035   0.00069   0.00104   3.12083
   D224      -0.01248   0.00001   0.00046   0.00059   0.00105  -0.01143
   D225       0.01953  -0.00000   0.00070   0.00017   0.00087   0.02040
   D226      -3.11275  -0.00001   0.00081   0.00007   0.00089  -3.11186
   D227       0.01048  -0.00001   0.00042  -0.00112  -0.00071   0.00977
   D228      -3.14108  -0.00000   0.00107  -0.00210  -0.00103   3.14108
   D229      -3.12446  -0.00000  -0.00108   0.00101  -0.00006  -3.12452
   D230       0.00717   0.00000  -0.00043   0.00004  -0.00039   0.00678
   D231      -0.01208  -0.00000   0.00089  -0.00108  -0.00019  -0.01227
   D232       3.12251  -0.00005   0.00212  -0.00481  -0.00269   3.11982
   D233       3.13945  -0.00000   0.00024  -0.00011   0.00013   3.13958
   D234      -0.00914  -0.00005   0.00147  -0.00384  -0.00237  -0.01151
   D235      -0.00483  -0.00001  -0.00122   0.00168   0.00045  -0.00438
   D236       3.11746   0.00004   0.00049   0.00182   0.00232   3.11978
   D237      -3.13946   0.00004  -0.00245   0.00539   0.00294  -3.13652
   D238      -0.01716   0.00008  -0.00073   0.00553   0.00480  -0.01236
   D239      -0.00756   0.00003  -0.00026   0.00098   0.00072  -0.00684
   D240       3.14101  -0.00000   0.00017  -0.00091  -0.00074   3.14027
   D241       3.12317   0.00004  -0.00036   0.00163   0.00127   3.12444
   D242      -0.01144   0.00001   0.00007  -0.00027  -0.00019  -0.01164
   D243      -0.00661  -0.00004  -0.00009  -0.00009  -0.00018  -0.00679
   D244       3.14004   0.00001   0.00039   0.00015   0.00055   3.14059
   D245       3.12796  -0.00001  -0.00052   0.00182   0.00130   3.12926
   D246      -0.00857   0.00004  -0.00004   0.00206   0.00202  -0.00654
   D247       0.00737   0.00003   0.00046  -0.00063  -0.00018   0.00720
   D248      -3.12797   0.00003   0.00077  -0.00189  -0.00112  -3.12909
   D249      -3.13930  -0.00003  -0.00003  -0.00087  -0.00090  -3.14020
   D250       0.00854  -0.00003   0.00029  -0.00213  -0.00184   0.00669
   D251      -0.01066   0.00000   0.00040  -0.00024   0.00016  -0.01050
   D252       3.13210   0.00007   0.00169  -0.00009   0.00160   3.13371
   D253       3.12839  -0.00002  -0.00104   0.00047  -0.00057   3.12782
   D254      -0.01204   0.00004   0.00026   0.00062   0.00088  -0.01116
   D255       0.00834   0.00001   0.00111  -0.00109   0.00002   0.00836
   D256      -3.13475  -0.00002   0.00302  -0.00602  -0.00300  -3.13775
   D257      -3.13442  -0.00006  -0.00018  -0.00125  -0.00143  -3.13584
   D258       0.00568  -0.00008   0.00173  -0.00618  -0.00445   0.00123
   D259       0.01130  -0.00004  -0.00127   0.00048  -0.00079   0.01051
   D260      -3.12469   0.00001   0.00071  -0.00010   0.00061  -3.12408
   D261      -3.12881  -0.00001  -0.00317   0.00537   0.00221  -3.12660
   D262       0.01839   0.00003  -0.00118   0.00479   0.00361   0.02200
   D263       0.00805  -0.00002   0.00011  -0.00032  -0.00020   0.00785
   D264      -3.13848  -0.00003   0.00011  -0.00095  -0.00084  -3.13932
   D265      -3.12534   0.00006   0.00025   0.00254   0.00278  -3.12256
   D266       0.01131   0.00005   0.00024   0.00190   0.00215   0.01345
   D267       0.00972   0.00002   0.00017   0.00096   0.00113   0.01085
   D268      -3.13990   0.00000   0.00051   0.00066   0.00117  -3.13873
   D269      -3.12691   0.00003   0.00018   0.00159   0.00177  -3.12513
   D270       0.00665   0.00001   0.00052   0.00130   0.00181   0.00847
   D271      -0.01021   0.00001   0.00008  -0.00033  -0.00024  -0.01045
   D272       3.12542  -0.00002  -0.00007  -0.00181  -0.00188   3.12354
   D273       3.13943   0.00002  -0.00026  -0.00003  -0.00028   3.13915
   D274      -0.00812  -0.00001  -0.00041  -0.00151  -0.00192  -0.01004
   D275       0.00811  -0.00001  -0.00015   0.00022   0.00007   0.00818
   D276      -3.14031   0.00000   0.00049  -0.00058  -0.00009  -3.14041
   D277      -3.12819  -0.00001   0.00007   0.00134   0.00141  -3.12678
   D278       0.00658   0.00000   0.00070   0.00054   0.00124   0.00782
   D279      -0.00806   0.00001  -0.00021  -0.00001  -0.00022  -0.00828
   D280       3.12718   0.00004   0.00006   0.00007   0.00013   3.12731
   D281       3.14034  -0.00000  -0.00085   0.00079  -0.00006   3.14029
   D282      -0.00760   0.00003  -0.00057   0.00087   0.00030  -0.00731
   D283      -0.00574  -0.00000  -0.00006  -0.00019  -0.00025  -0.00599
   D284       3.12657   0.00001  -0.00017  -0.00009  -0.00026   3.12631
   D285      -3.14101  -0.00003  -0.00033  -0.00027  -0.00060   3.14158
   D286      -0.00870  -0.00002  -0.00044  -0.00017  -0.00061  -0.00931
   D287      -0.00295  -0.00002  -0.00001  -0.00016  -0.00017  -0.00312
   D288       3.14011  -0.00001   0.00049  -0.00113  -0.00063   3.13947
   D289       3.13298   0.00001  -0.00055   0.00062   0.00007   3.13306
   D290      -0.00715   0.00001  -0.00004  -0.00034  -0.00039  -0.00753
   D291      -0.00658  -0.00002  -0.00044  -0.00011  -0.00055  -0.00713
   D292       3.13583   0.00005  -0.00041   0.00174   0.00133   3.13716
   D293       3.13355  -0.00002  -0.00095   0.00086  -0.00009   3.13345
   D294      -0.00723   0.00004  -0.00092   0.00271   0.00179  -0.00544
   D295       0.00361   0.00006   0.00020   0.00017   0.00036   0.00397
   D296      -3.13174   0.00001   0.00042   0.00015   0.00058  -3.13116
   D297      -3.13881  -0.00001   0.00017  -0.00169  -0.00152  -3.14033
   D298       0.00903  -0.00005   0.00039  -0.00170  -0.00131   0.00773
   D299       1.69296  -0.01586  -0.00321  -0.01919  -0.02239   1.67056
   D300      -0.57607  -0.00490   0.00576  -0.01413  -0.00840  -0.58447
   D301      -2.80405  -0.00783  -0.00605  -0.01930  -0.02533  -2.82938
   D302       3.09038  -0.00123  -0.06609   0.17197   0.10589  -3.08692
   D303      -1.02190  -0.00126  -0.06735   0.16442   0.09705  -0.92486
   D304       1.19607   0.00344  -0.05991   0.16498   0.10508   1.30116
   D305      -2.29833  -0.00529  -0.00506   0.00111  -0.00395  -2.30228
   D306      -0.17017  -0.00906  -0.00573   0.00486  -0.00087  -0.17104
   D307       1.88141  -0.00574  -0.00605   0.00450  -0.00155   1.87986
   D308       1.97007  -0.00027   0.02291  -0.08377  -0.06086   1.90921
   D309      -2.20493  -0.00009   0.02089  -0.08235  -0.06145  -2.26638
   D310      -0.17438  -0.00020   0.01934  -0.08124  -0.06190  -0.23628
   D311      -3.07707  -0.00285  -0.00253   0.00212  -0.00041  -3.07748
   D312      -0.98881  -0.00284  -0.00275   0.00262  -0.00013  -0.98895
   D313       1.12301  -0.00267  -0.00190   0.00369   0.00179   1.12480
   D314       1.11211   0.00290   0.00197  -0.01115  -0.00918   1.10293
   D315      -3.08282   0.00290   0.00174  -0.01066  -0.00891  -3.09173
   D316      -0.97099   0.00308   0.00260  -0.00959  -0.00698  -0.97798
   D317      -1.04575  -0.00017  -0.00165   0.00248   0.00082  -1.04493
   D318       1.04250  -0.00016  -0.00187   0.00297   0.00110   1.04360
   D319      -3.12886   0.00001  -0.00102   0.00404   0.00302  -3.12583
   D320      -0.88797   0.00061  -0.03379   0.01055  -0.02324  -0.91121
   D321       1.20519  -0.00057  -0.03619   0.01967  -0.01652   1.18867
   D322      -2.89506  -0.00075  -0.03289   0.00656  -0.02632  -2.92138
   D323       3.05724  -0.00001  -0.00724   0.00112  -0.00611   3.05113
   D324      -1.13501  -0.00013  -0.00690   0.00035  -0.00655  -1.14156
   D325       0.97109  -0.00007  -0.00710   0.00112  -0.00598   0.96511
   D326       1.00938   0.00041  -0.00345   0.00349   0.00005   1.00943
   D327       3.10031   0.00029  -0.00311   0.00272  -0.00039   3.09992
   D328      -1.07677   0.00035  -0.00331   0.00349   0.00018  -1.07659
   D329      -1.09473  -0.00008  -0.00571  -0.00091  -0.00663  -1.10136
   D330       0.99620  -0.00020  -0.00537  -0.00169  -0.00706   0.98914
   D331       3.10230  -0.00015  -0.00557  -0.00092  -0.00649   3.09581
         Item               Value     Threshold  Converged?
 Maximum Force            0.019952     0.000450     NO 
 RMS     Force            0.001757     0.000300     NO 
 Maximum Displacement     0.404798     0.001800     NO 
 RMS     Displacement     0.056527     0.001200     NO 
 Predicted change in Energy=-1.008104D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.623826    3.248016    0.104916
      2          6           0       -2.774357    1.869243    0.277741
      3          6           0       -1.668287    1.013190    0.239981
      4          6           0       -0.380073    1.567364    0.091088
      5          6           0       -0.236215    2.947452   -0.100824
      6          6           0       -1.342874    3.783588   -0.108159
      7          6           0       -1.795563   -0.457844    0.224520
      8          6           0       -0.659318   -1.269936    0.459679
      9          6           0        0.620861   -0.608146    0.890560
     10          6           0        0.807774    0.704334    0.176748
     11          6           0       -2.993672   -1.061243   -0.174144
     12          6           0       -3.074578   -2.435908   -0.404096
     13          6           0       -1.923908   -3.218478   -0.266237
     14          6           0       -0.737100   -2.634357    0.158165
     15          7           0        1.787361   -1.423971    0.976514
     16          6           0        3.030665   -0.926070    0.485874
     17          6           0        3.062086    0.344402   -0.133213
     18          7           0        1.936012    1.136086   -0.268181
     19          6           0        4.229722   -1.653984    0.548774
     20          6           0        5.411668   -1.131350    0.039126
     21          6           0        5.442917    0.127608   -0.579925
     22          6           0        4.258138    0.848438   -0.667666
     23          7           0       -3.756943    4.093605    0.137051
     24          7           0       -4.294933   -3.019539   -0.820524
     25          7           0        6.653938    0.648444   -1.099185
     26          6           0       -4.911892   -4.128296   -0.224292
     27          6           0       -6.110774   -4.417535   -0.922261
     28          6           0       -6.220061   -3.447504   -1.991833
     29          6           0       -5.084484   -2.603295   -1.901608
     30          6           0       -3.877744    5.278652    0.879527
     31          6           0       -5.156080    5.841962    0.642528
     32          6           0       -5.839930    4.963080   -0.282661
     33          6           0       -4.952794    3.896693   -0.572821
     34          6           0        7.221864    1.887578   -0.770834
     35          6           0        8.453408    2.025356   -1.459050
     36          6           0        8.638872    0.818275   -2.236574
     37          6           0        7.513508   -0.007907   -1.988932
     38          6           0       -7.157575   -3.237987   -3.009469
     39          6           0       -6.950206   -2.208360   -3.921989
     40          6           0       -5.808405   -1.394812   -3.832471
     41          6           0       -4.860906   -1.580244   -2.827475
     42          6           0       -4.522745   -4.861451    0.899649
     43          6           0       -5.345018   -5.911279    1.302463
     44          6           0       -6.529211   -6.222182    0.612965
     45          6           0       -6.918972   -5.477422   -0.495704
     46          6           0       -7.101880    4.998115   -0.886247
     47          6           0       -7.460039    3.984220   -1.769303
     48          6           0       -6.562539    2.944461   -2.062247
     49          6           0       -5.299817    2.888594   -1.476666
     50          6           0       -2.978195    5.864078    1.774591
     51          6           0       -3.366158    7.043787    2.406182
     52          6           0       -4.620907    7.626864    2.164770
     53          6           0       -5.521358    7.027567    1.289664
     54          6           0        9.637096    0.379977   -3.113944
     55          6           0        9.500372   -0.858860   -3.732615
     56          6           0        8.370618   -1.657739   -3.489221
     57          6           0        7.362401   -1.245457   -2.620647
     58          6           0        6.758392    2.874588    0.102957
     59          6           0        7.539674    4.016848    0.263707
     60          6           0        8.755000    4.176548   -0.422788
     61          6           0        9.217319    3.184796   -1.282189
     62          8           0        0.485842   -3.056977    2.737474
     63         15           0        1.788879   -2.762776    2.115032
     64          8           0        2.999217   -2.487631    3.129555
     65          8           0        2.417897   -3.883006    1.146185
     66          6           0        2.760755   -1.824650    4.420494
     67          6           0        3.781783   -0.720242    4.597610
     68          6           0        2.552198   -5.243868    1.662420
     69          6           0        1.555218   -6.153280    0.972449
     70          1           0       -3.765098    1.476582    0.469213
     71          1           0        0.760857    3.348040   -0.241631
     72          1           0       -1.226152    4.848130   -0.275874
     73          1           0       -3.875482   -0.456796   -0.344456
     74          1           0       -1.953717   -4.272114   -0.519812
     75          1           0        0.146257   -3.254767    0.197310
     76          1           0        4.255820   -2.633023    1.001748
     77          1           0        6.326229   -1.707197    0.127558
     78          1           0        4.217532    1.814605   -1.156310
     79          1           0       -8.032590   -3.876543   -3.088889
     80          1           0       -7.670426   -2.036733   -4.715863
     81          1           0       -5.652834   -0.608699   -4.565873
     82          1           0       -3.973590   -0.959381   -2.780157
     83          1           0       -3.618433   -4.618514    1.447316
     84          1           0       -5.063483   -6.496937    2.172498
     85          1           0       -7.146469   -7.047761    0.953394
     86          1           0       -7.840450   -5.711214   -1.021082
     87          1           0       -7.791088    5.809557   -0.669127
     88          1           0       -8.439010    3.996456   -2.238162
     89          1           0       -6.854423    2.161839   -2.756103
     90          1           0       -4.612385    2.088788   -1.725066
     91          1           0       -2.014123    5.415101    1.982970
     92          1           0       -2.682243    7.517432    3.104093
     93          1           0       -4.891050    8.548113    2.671485
     94          1           0       -6.498351    7.468991    1.115284
     95          1           0       10.504449    1.002725   -3.313556
     96          1           0       10.268584   -1.210261   -4.414375
     97          1           0        8.275195   -2.615829   -3.991668
     98          1           0        6.487559   -1.862554   -2.449957
     99          1           0        5.825961    2.757483    0.643288
    100          1           0        7.199171    4.798721    0.936030
    101          1           0        9.337612    5.081063   -0.277914
    102          1           0       10.161776    3.304879   -1.805117
    103          1           0        1.740600   -1.438673    4.439946
    104          1           0        2.867641   -2.605175    5.178460
    105          1           0        3.655135   -0.262717    5.584096
    106          1           0        4.801259   -1.110494    4.526248
    107          1           0        3.647635    0.056331    3.840862
    108          1           0        3.584332   -5.539304    1.454014
    109          1           0        2.412788   -5.247988    2.746972
    110          1           0        1.716256   -7.188755    1.290043
    111          1           0        0.531023   -5.867632    1.226799
    112          1           0        1.676210   -6.103370   -0.113320
    113         17           0        0.245740    0.153050    2.781031
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351107           0.0182355           0.0142463
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10698.7285638753 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.69D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999978    0.006430    0.001351   -0.000239 Ang=   0.75 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48531933     A.U. after   12 cycles
            NFock= 12  Conv=0.50D-08     -V/T= 2.0082
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000644605   -0.000581515    0.000024046
      2        6          -0.000494693    0.000237606    0.000502423
      3        6           0.000163627   -0.000545746   -0.000320066
      4        6          -0.000451129    0.000148262   -0.000146088
      5        6           0.000030484    0.000269594   -0.000021498
      6        6           0.000014650    0.000128075   -0.000268254
      7        6           0.000222490    0.000351302   -0.000396480
      8        6           0.000294338   -0.000498259   -0.002095657
      9        6          -0.002659311   -0.000928279   -0.000885855
     10        6           0.000399698    0.000815069    0.000518918
     11        6          -0.000395837   -0.000280602    0.000087553
     12        6          -0.000078406    0.000409431    0.000377440
     13        6           0.000564457    0.000021776   -0.000163326
     14        6          -0.000505718   -0.000256461   -0.000676217
     15        7           0.000048620    0.000417580    0.000593941
     16        6           0.000547479    0.001159427    0.000289904
     17        6           0.000976361   -0.000528327   -0.000053074
     18        7          -0.000189886    0.000522058   -0.000526964
     19        6           0.000300254   -0.000288314    0.000240578
     20        6           0.000229030    0.000319777   -0.000021728
     21        6          -0.000859838   -0.000656881    0.000271104
     22        6          -0.000294287    0.000131947   -0.000108794
     23        7          -0.000871186    0.000355430   -0.000252354
     24        7           0.000126910   -0.000369065   -0.000492531
     25        7           0.000897893    0.000551584    0.000258272
     26        6          -0.000279405    0.000148502    0.000429472
     27        6          -0.000100091    0.000043202    0.000000999
     28        6          -0.000071480   -0.000060712   -0.000090030
     29        6          -0.000242647    0.000182227   -0.000004540
     30        6           0.000217302   -0.000180235    0.000440632
     31        6          -0.000151869    0.000024664   -0.000114498
     32        6          -0.000094081    0.000055264    0.000034685
     33        6           0.000301652    0.000141982   -0.000256088
     34        6          -0.000186708   -0.000395878    0.000184359
     35        6           0.000175908    0.000275048   -0.000238334
     36        6           0.000060063    0.000010357    0.000028335
     37        6          -0.000334384    0.000011162   -0.000374689
     38        6          -0.000019816   -0.000138509    0.000079154
     39        6           0.000005646    0.000111652   -0.000150181
     40        6          -0.000002443    0.000168797   -0.000094019
     41        6           0.000109106    0.000000253   -0.000100546
     42        6           0.000399667    0.000063406    0.000199370
     43        6           0.000026863   -0.000075222    0.000102345
     44        6           0.000111729   -0.000179938    0.000034269
     45        6          -0.000052549   -0.000066489   -0.000079872
     46        6          -0.000195771    0.000168638    0.000054921
     47        6          -0.000124902   -0.000076725    0.000080230
     48        6          -0.000121827   -0.000126663   -0.000041867
     49        6           0.000112441   -0.000073939    0.000129962
     50        6           0.000089511    0.000159121    0.000086309
     51        6           0.000079984    0.000020036    0.000106546
     52        6          -0.000082970    0.000062481   -0.000003512
     53        6          -0.000064357   -0.000012500    0.000055745
     54        6           0.000075558    0.000103697   -0.000110444
     55        6           0.000034882   -0.000041986   -0.000107231
     56        6          -0.000107496   -0.000078352   -0.000036447
     57        6           0.000063166   -0.000015117    0.000020678
     58        6          -0.000032516    0.000062701    0.000101543
     59        6          -0.000111346   -0.000064311    0.000003788
     60        6           0.000010163    0.000159011   -0.000098608
     61        6           0.000110711   -0.000090805    0.000116300
     62        8           0.000013071   -0.000651054    0.000357463
     63       15           0.001118271    0.000848987   -0.000007743
     64        8          -0.001034322    0.001466707    0.000195063
     65        8          -0.001426060   -0.002612394    0.002623737
     66        6           0.000648351   -0.000585721   -0.001146406
     67        6           0.000590972   -0.000095641   -0.000215734
     68        6           0.000759944   -0.000174870   -0.000344489
     69        6          -0.000230936   -0.000443975   -0.000269158
     70        1          -0.000131273   -0.000212425   -0.000154408
     71        1           0.000096231    0.000024577    0.000001409
     72        1          -0.000064644    0.000055200   -0.000021568
     73        1          -0.000103099    0.000168266   -0.000160746
     74        1          -0.000107618   -0.000015056    0.000045780
     75        1          -0.000499152    0.000376041   -0.000315888
     76        1           0.000414829    0.001232881   -0.000514483
     77        1           0.000145091    0.000106517   -0.000080822
     78        1           0.000187976    0.000191990   -0.000088455
     79        1          -0.000013701   -0.000045939    0.000038448
     80        1          -0.000003890    0.000043853    0.000003126
     81        1          -0.000009442   -0.000074969    0.000136722
     82        1           0.000143768    0.000135949    0.000119885
     83        1          -0.000281308   -0.000133663   -0.000120043
     84        1          -0.000038747   -0.000028135    0.000037714
     85        1          -0.000016605    0.000003033    0.000007791
     86        1          -0.000037878    0.000029950    0.000008451
     87        1           0.000184382   -0.000128165   -0.000069093
     88        1           0.000018380    0.000015378   -0.000073331
     89        1           0.000004427    0.000060372   -0.000110408
     90        1           0.000166061   -0.000123224   -0.000035415
     91        1           0.000106039   -0.000047500   -0.000006503
     92        1           0.000062328   -0.000003923    0.000002471
     93        1           0.000007970   -0.000016893    0.000035742
     94        1          -0.000005258    0.000018913   -0.000039350
     95        1           0.000016324   -0.000006316    0.000076718
     96        1           0.000012260    0.000006506   -0.000023063
     97        1           0.000042217   -0.000020730    0.000030963
     98        1          -0.000110892   -0.000115851    0.000076702
     99        1          -0.000144712   -0.000056884    0.000018803
    100        1          -0.000029672   -0.000015068    0.000040841
    101        1           0.000009209   -0.000028897   -0.000002727
    102        1           0.000016477   -0.000028924   -0.000034032
    103        1           0.000247208   -0.000797815    0.000978935
    104        1          -0.000343247    0.000095389    0.000240686
    105        1          -0.000021936   -0.000086486    0.000097054
    106        1          -0.000170317    0.000140348    0.000057774
    107        1          -0.000072465    0.000109007   -0.000081530
    108        1          -0.000356838    0.000364661   -0.000441168
    109        1          -0.000252698   -0.000004857    0.000144343
    110        1          -0.000192448   -0.000019183    0.000025155
    111        1           0.000204193    0.000066184    0.000266254
    112        1           0.000180252   -0.000178790   -0.000026660
    113       17           0.002034629   -0.000007648    0.001591161
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002659311 RMS     0.000444541

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.015842158 RMS     0.000923557
 Search for a local minimum.
 Step number  24 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   23   24
 DE= -4.51D-04 DEPred=-1.01D-03 R= 4.47D-01
 Trust test= 4.47D-01 RLast= 2.55D-01 DXMaxT set to 2.56D+00
 ITU=  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0
 ITU=  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00173   0.00451   0.00763   0.00962   0.01248
     Eigenvalues ---    0.01270   0.01642   0.01815   0.02328   0.02434
     Eigenvalues ---    0.02485   0.02540   0.02554   0.02576   0.02591
     Eigenvalues ---    0.02607   0.02636   0.02669   0.02682   0.02689
     Eigenvalues ---    0.02697   0.02702   0.02713   0.02718   0.02748
     Eigenvalues ---    0.02756   0.02773   0.02779   0.02792   0.02802
     Eigenvalues ---    0.02805   0.02811   0.02812   0.02816   0.02826
     Eigenvalues ---    0.02835   0.02849   0.02862   0.02871   0.02873
     Eigenvalues ---    0.02876   0.02886   0.02891   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02908   0.02916   0.02917   0.02920
     Eigenvalues ---    0.02924   0.02934   0.02944   0.02947   0.02949
     Eigenvalues ---    0.02950   0.02952   0.02957   0.02958   0.02961
     Eigenvalues ---    0.02963   0.02965   0.02969   0.02975   0.02976
     Eigenvalues ---    0.02985   0.02991   0.02992   0.02999   0.03004
     Eigenvalues ---    0.03019   0.03022   0.03029   0.03046   0.03059
     Eigenvalues ---    0.03059   0.03066   0.03078   0.03089   0.03096
     Eigenvalues ---    0.03104   0.03116   0.03126   0.03133   0.03141
     Eigenvalues ---    0.03163   0.03170   0.03175   0.03181   0.03222
     Eigenvalues ---    0.03231   0.03245   0.03258   0.03277   0.03336
     Eigenvalues ---    0.03397   0.03549   0.03788   0.04651   0.05217
     Eigenvalues ---    0.05406   0.05754   0.05773   0.05871   0.05923
     Eigenvalues ---    0.06062   0.06135   0.07125   0.08375   0.11461
     Eigenvalues ---    0.11603   0.11974   0.13110   0.13702   0.13900
     Eigenvalues ---    0.14943   0.15853   0.15941   0.15973   0.15983
     Eigenvalues ---    0.15991   0.15993   0.15995   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16006   0.16010
     Eigenvalues ---    0.16023   0.16055   0.16099   0.16164   0.17784
     Eigenvalues ---    0.19695   0.20438   0.21360   0.21800   0.21997
     Eigenvalues ---    0.21999   0.21999   0.22000   0.22002   0.22121
     Eigenvalues ---    0.22292   0.22352   0.22441   0.22514   0.22567
     Eigenvalues ---    0.22598   0.22603   0.22613   0.22623   0.22679
     Eigenvalues ---    0.22851   0.23437   0.23467   0.23696   0.23795
     Eigenvalues ---    0.24312   0.24338   0.24461   0.24483   0.24489
     Eigenvalues ---    0.24517   0.24527   0.24556   0.24723   0.24867
     Eigenvalues ---    0.24909   0.24963   0.24970   0.24977   0.24980
     Eigenvalues ---    0.24983   0.24985   0.24989   0.25008   0.25041
     Eigenvalues ---    0.25177   0.25640   0.25770   0.26233   0.26537
     Eigenvalues ---    0.27121   0.27764   0.28261   0.28750   0.28856
     Eigenvalues ---    0.29134   0.29329   0.29536   0.29685   0.30176
     Eigenvalues ---    0.30477   0.30652   0.30699   0.30820   0.30930
     Eigenvalues ---    0.31102   0.31136   0.31265   0.31372   0.31426
     Eigenvalues ---    0.31474   0.31630   0.32133   0.32231   0.32408
     Eigenvalues ---    0.32838   0.33122   0.33469   0.33543   0.33965
     Eigenvalues ---    0.34084   0.34225   0.34497   0.34630   0.34672
     Eigenvalues ---    0.34937   0.35154   0.35313   0.35505   0.35589
     Eigenvalues ---    0.36322   0.36406   0.36781   0.37133   0.37309
     Eigenvalues ---    0.39044   0.40127   0.41510   0.41581   0.42045
     Eigenvalues ---    0.42752   0.43405   0.43443   0.44951   0.45390
     Eigenvalues ---    0.46588   0.47091   0.47098   0.47180   0.47635
     Eigenvalues ---    0.47814   0.49010   0.49915   0.50072   0.50453
     Eigenvalues ---    0.50596   0.50744   0.51637   0.51902   0.52078
     Eigenvalues ---    0.52243   0.52557   0.52671   0.53108   0.53238
     Eigenvalues ---    0.53391   0.53788   0.54288   0.54345   0.54972
     Eigenvalues ---    0.55030   0.55294   0.55579   0.55653   0.55956
     Eigenvalues ---    0.56124   0.56186   0.56418   0.56470   0.56721
     Eigenvalues ---    0.56927   0.57099   0.57169   0.57900   0.58122
     Eigenvalues ---    0.58232   0.58283   0.58317   0.58496   0.58579
     Eigenvalues ---    0.58762   0.58927   0.59411   0.59710   0.59805
     Eigenvalues ---    0.60063   0.60388   0.60651   0.60914   0.61771
     Eigenvalues ---    0.62581   0.63274   0.63580   0.64449   0.65197
     Eigenvalues ---    0.65943   0.66770   0.67810   0.68875   0.72065
     Eigenvalues ---    0.73149   0.74182   0.74645   0.79691   0.80951
     Eigenvalues ---    0.85379   0.91612   3.50609
 RFO step:  Lambda=-1.14107751D-03 EMin= 1.73304294D-03
 Quartic linear search produced a step of -0.34957.
 Iteration  1 RMS(Cart)=  0.08521616 RMS(Int)=  0.00211268
 Iteration  2 RMS(Cart)=  0.00537009 RMS(Int)=  0.00006709
 Iteration  3 RMS(Cart)=  0.00002753 RMS(Int)=  0.00006587
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006587
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64125  -0.00013  -0.00011  -0.00211  -0.00221   2.63904
    R2        2.65443   0.00018   0.00013   0.00079   0.00094   2.65536
    R3        2.67248   0.00046  -0.00036   0.00276   0.00241   2.67489
    R4        2.64403   0.00019   0.00051   0.00176   0.00225   2.64628
    R5        2.04616   0.00019  -0.00016   0.00134   0.00117   2.04733
    R6        2.66497  -0.00015   0.00062  -0.00080  -0.00031   2.66466
    R7        2.79039  -0.00069   0.00095  -0.00356  -0.00268   2.78771
    R8        2.64708   0.00032   0.00047   0.00080   0.00127   2.64835
    R9        2.77933   0.00050  -0.00064   0.00027  -0.00039   2.77894
   R10        2.62112   0.00011  -0.00013  -0.00122  -0.00133   2.61979
   R11        2.04794   0.00009   0.00012  -0.00020  -0.00007   2.04786
   R12        2.04841   0.00006  -0.00004   0.00061   0.00057   2.04898
   R13        2.67638   0.00045   0.00079   0.00121   0.00203   2.67841
   R14        2.64460   0.00015   0.00039   0.00008   0.00048   2.64508
   R15        2.84244   0.00215   0.00007  -0.01446  -0.01432   2.82812
   R16        2.64468   0.00041   0.00032   0.00292   0.00325   2.64793
   R17        2.84532   0.00115  -0.00107  -0.01199  -0.01285   2.83247
   R18        2.69488   0.00310   0.00107  -0.01123  -0.00999   2.68490
   R19        2.43276  -0.00019   0.00041   0.00534   0.00570   2.43846
   R20        2.63827  -0.00051  -0.00000  -0.00064  -0.00065   2.63762
   R21        2.04576   0.00018  -0.00014   0.00067   0.00053   2.04629
   R22        2.64255   0.00018   0.00009   0.00373   0.00380   2.64635
   R23        2.67468   0.00030  -0.00018  -0.00139  -0.00157   2.67311
   R24        2.62517   0.00004  -0.00002  -0.00352  -0.00354   2.62163
   R25        2.04871  -0.00001  -0.00005  -0.00012  -0.00017   2.04854
   R26        2.04122  -0.00060  -0.00061   0.00162   0.00101   2.04223
   R27        2.69539   0.00313   0.00086  -0.00463  -0.00372   2.69167
   R28        3.32110   0.00461   0.00699   0.01198   0.01897   3.34006
   R29        2.67138   0.00077   0.00138   0.00145   0.00271   2.67409
   R30        2.65340   0.00088   0.00189  -0.00229  -0.00039   2.65301
   R31        2.61372   0.00023  -0.00168  -0.00149  -0.00334   2.61038
   R32        2.65251  -0.00019   0.00098   0.00079   0.00176   2.65428
   R33        2.62521   0.00028  -0.00033  -0.00145  -0.00177   2.62344
   R34        2.03914  -0.00125  -0.00177   0.00307   0.00130   2.04044
   R35        2.65180  -0.00071   0.00057   0.00098   0.00154   2.65335
   R36        2.04915   0.00009   0.00005   0.00030   0.00035   2.04950
   R37        2.62597  -0.00062  -0.00118  -0.00008  -0.00126   2.62471
   R38        2.67747   0.00050  -0.00027   0.00059   0.00031   2.67778
   R39        2.04746   0.00018   0.00012   0.00026   0.00038   2.04784
   R40        2.65249   0.00015   0.00006  -0.00012  -0.00006   2.65243
   R41        2.65421  -0.00030   0.00019  -0.00171  -0.00151   2.65270
   R42        2.64931   0.00031   0.00040   0.00182   0.00222   2.65153
   R43        2.64925  -0.00004   0.00025   0.00105   0.00130   2.65055
   R44        2.64953  -0.00039   0.00053  -0.00100  -0.00046   2.64907
   R45        2.64650   0.00003   0.00019  -0.00014   0.00006   2.64656
   R46        2.67791   0.00022   0.00023  -0.00054  -0.00032   2.67759
   R47        2.64034   0.00027   0.00024   0.00021   0.00044   2.64078
   R48        2.73644   0.00026   0.00017   0.00052   0.00069   2.73713
   R49        2.64460   0.00015   0.00021  -0.00002   0.00019   2.64480
   R50        2.67939   0.00004   0.00004  -0.00037  -0.00032   2.67907
   R51        2.64455   0.00004   0.00026  -0.00086  -0.00060   2.64395
   R52        2.64146   0.00004   0.00014  -0.00050  -0.00036   2.64110
   R53        2.67757   0.00024   0.00012   0.00074   0.00085   2.67842
   R54        2.64092   0.00022   0.00011   0.00009   0.00020   2.64112
   R55        2.73590   0.00026   0.00024   0.00012   0.00036   2.73626
   R56        2.64418   0.00009   0.00012   0.00010   0.00022   2.64440
   R57        2.67807   0.00008   0.00000   0.00032   0.00032   2.67840
   R58        2.64431   0.00009   0.00019   0.00006   0.00024   2.64455
   R59        2.64131   0.00008   0.00016  -0.00036  -0.00020   2.64111
   R60        2.67870   0.00028   0.00003   0.00034   0.00036   2.67906
   R61        2.64056   0.00005   0.00012  -0.00035  -0.00022   2.64033
   R62        2.73585   0.00022   0.00022   0.00067   0.00089   2.73674
   R63        2.64504  -0.00002   0.00027  -0.00072  -0.00045   2.64459
   R64        2.67938   0.00014   0.00016  -0.00028  -0.00013   2.67925
   R65        2.64449   0.00012   0.00013   0.00005   0.00017   2.64467
   R66        2.64118   0.00006   0.00008  -0.00013  -0.00005   2.64112
   R67        2.62925   0.00033   0.00020   0.00059   0.00079   2.63004
   R68        2.05252   0.00004  -0.00002   0.00017   0.00014   2.05266
   R69        2.65477   0.00012   0.00022  -0.00059  -0.00037   2.65439
   R70        2.05138   0.00001   0.00011  -0.00040  -0.00029   2.05109
   R71        2.63355  -0.00000   0.00022  -0.00040  -0.00017   2.63337
   R72        2.05281  -0.00014  -0.00028   0.00042   0.00014   2.05295
   R73        2.04845   0.00020   0.00022   0.00018   0.00040   2.04885
   R74        2.63244   0.00015   0.00003   0.00030   0.00033   2.63278
   R75        2.04993  -0.00033  -0.00010  -0.00183  -0.00193   2.04800
   R76        2.65530   0.00005   0.00022  -0.00054  -0.00031   2.65499
   R77        2.05209   0.00003  -0.00004   0.00019   0.00015   2.05224
   R78        2.62919   0.00020   0.00015   0.00003   0.00018   2.62936
   R79        2.05144   0.00001   0.00003  -0.00011  -0.00007   2.05137
   R80        2.05260   0.00002   0.00001  -0.00001   0.00001   2.05260
   R81        2.62940   0.00017   0.00019  -0.00017   0.00002   2.62942
   R82        2.05328  -0.00023  -0.00027  -0.00037  -0.00065   2.05263
   R83        2.65399   0.00013   0.00021  -0.00002   0.00019   2.65417
   R84        2.05134   0.00001  -0.00008   0.00033   0.00025   2.05159
   R85        2.63242   0.00019  -0.00001   0.00050   0.00049   2.63291
   R86        2.05201   0.00003  -0.00005   0.00032   0.00027   2.05228
   R87        2.04750   0.00021   0.00005   0.00096   0.00101   2.04852
   R88        2.63286   0.00005   0.00009   0.00002   0.00011   2.63297
   R89        2.04792   0.00011   0.00005   0.00056   0.00061   2.04853
   R90        2.65414   0.00019   0.00020  -0.00010   0.00010   2.65424
   R91        2.05204   0.00004   0.00004  -0.00000   0.00004   2.05208
   R92        2.62922   0.00016   0.00034  -0.00035  -0.00001   2.62921
   R93        2.05141   0.00000  -0.00001   0.00005   0.00005   2.05146
   R94        2.05258   0.00001   0.00000   0.00007   0.00007   2.05265
   R95        2.62948   0.00018   0.00017   0.00033   0.00050   2.62998
   R96        2.05273  -0.00001   0.00006  -0.00024  -0.00019   2.05255
   R97        2.65491   0.00017   0.00017  -0.00020  -0.00003   2.65488
   R98        2.05140   0.00002  -0.00001   0.00015   0.00014   2.05154
   R99        2.63269   0.00006   0.00010   0.00002   0.00012   2.63282
   R100       2.05233  -0.00000  -0.00006   0.00021   0.00015   2.05248
   R101       2.04867   0.00017   0.00011   0.00061   0.00072   2.04939
   R102       2.63276  -0.00003   0.00023  -0.00081  -0.00058   2.63218
   R103       2.04850   0.00014   0.00010   0.00028   0.00038   2.04888
   R104       2.65491   0.00022   0.00020   0.00021   0.00041   2.65532
   R105       2.05215   0.00003  -0.00003   0.00019   0.00015   2.05230
   R106       2.62929   0.00014   0.00016  -0.00010   0.00006   2.62934
   R107       2.05153  -0.00002   0.00011  -0.00046  -0.00035   2.05118
   R108       2.05266   0.00002  -0.00012   0.00047   0.00035   2.05301
   R109       2.78495   0.00037  -0.00011  -0.00101  -0.00113   2.78383
   R110       3.02939   0.00253   0.00045  -0.01164  -0.01118   3.01821
   R111       3.04078  -0.00015   0.00285  -0.01052  -0.00767   3.03311
   R112       2.77920   0.00053   0.00170  -0.00228  -0.00058   2.77862
   R113       2.76216   0.00023  -0.00018  -0.00353  -0.00371   2.75845
   R114       2.86191   0.00023  -0.00013  -0.00030  -0.00043   2.86148
   R115       2.06151  -0.00213  -0.00086   0.00025  -0.00061   2.06090
   R116       2.06591  -0.00000  -0.00022   0.00024   0.00002   2.06593
   R117       2.06882   0.00007   0.00007  -0.00000   0.00007   2.06889
   R118       2.06726  -0.00021  -0.00027   0.00022  -0.00005   2.06721
   R119       2.06467   0.00015  -0.00022   0.00094   0.00071   2.06539
   R120       2.86408   0.00039  -0.00085   0.00327   0.00242   2.86650
   R121       2.06665  -0.00027   0.00076  -0.00246  -0.00171   2.06494
   R122       2.06638   0.00016  -0.00002   0.00144   0.00142   2.06780
   R123       2.06923  -0.00003  -0.00013   0.00030   0.00017   2.06940
   R124       2.06600  -0.00010   0.00014  -0.00079  -0.00064   2.06536
   R125       2.06666   0.00001  -0.00009   0.00031   0.00022   2.06687
   R126       5.18219  -0.00214  -0.03015   0.06258   0.03243   5.21462
    A1        2.08644   0.00023   0.00011   0.00207   0.00217   2.08861
    A2        2.09523  -0.00027  -0.00041  -0.00030  -0.00071   2.09452
    A3        2.10150   0.00003   0.00030  -0.00176  -0.00145   2.10004
    A4        2.11189  -0.00026   0.00077  -0.00282  -0.00208   2.10982
    A5        2.06934   0.00027  -0.00108   0.00114   0.00008   2.06942
    A6        2.10160  -0.00001   0.00036   0.00168   0.00206   2.10365
    A7        2.07664   0.00020  -0.00112   0.00148   0.00040   2.07704
    A8        2.14322  -0.00028   0.00049  -0.00420  -0.00361   2.13961
    A9        2.05908   0.00005   0.00050   0.00361   0.00392   2.06300
   A10        2.08914   0.00000   0.00050   0.00007   0.00058   2.08972
   A11        2.09557  -0.00007  -0.00020   0.00160   0.00132   2.09689
   A12        2.09805   0.00007  -0.00025  -0.00155  -0.00174   2.09631
   A13        2.10913  -0.00013   0.00017  -0.00111  -0.00096   2.10816
   A14        2.06743   0.00004  -0.00003  -0.00118  -0.00120   2.06623
   A15        2.10662   0.00009  -0.00014   0.00229   0.00216   2.10878
   A16        2.09087  -0.00005  -0.00030   0.00013  -0.00018   2.09069
   A17        2.08991  -0.00004  -0.00006  -0.00127  -0.00133   2.08858
   A18        2.10240   0.00009   0.00037   0.00113   0.00150   2.10390
   A19        2.09479   0.00048   0.00009   0.00130   0.00133   2.09612
   A20        2.10170  -0.00104   0.00063   0.00113   0.00169   2.10339
   A21        2.07935   0.00056  -0.00068  -0.00059  -0.00126   2.07809
   A22        2.06928  -0.00017   0.00012  -0.00091  -0.00072   2.06856
   A23        2.06993  -0.00101  -0.00019   0.00178   0.00154   2.07147
   A24        2.13882   0.00118   0.00015   0.00053   0.00055   2.13937
   A25        1.93197  -0.00126   0.00055   0.01924   0.01929   1.95126
   A26        2.05076   0.00035   0.00323   0.00916   0.01150   2.06226
   A27        2.01054   0.00045   0.00153   0.01181   0.01285   2.02339
   A28        2.02512   0.00040   0.00164   0.00049   0.00213   2.02724
   A29        2.08391  -0.00046  -0.00135   0.00615   0.00460   2.08851
   A30        2.17121   0.00008  -0.00028  -0.00523  -0.00548   2.16574
   A31        2.11891   0.00005   0.00062  -0.00156  -0.00093   2.11798
   A32        2.09605  -0.00007   0.00050   0.00062   0.00111   2.09717
   A33        2.06764   0.00002  -0.00109   0.00103  -0.00007   2.06757
   A34        2.07957  -0.00017  -0.00027   0.00265   0.00237   2.08194
   A35        2.09953  -0.00039   0.00011  -0.00298  -0.00287   2.09666
   A36        2.10333   0.00056   0.00020   0.00024   0.00044   2.10377
   A37        2.09185   0.00007  -0.00005  -0.00120  -0.00125   2.09060
   A38        2.09232  -0.00014  -0.00019  -0.00004  -0.00023   2.09209
   A39        2.09856   0.00007   0.00026   0.00121   0.00147   2.10002
   A40        2.12144   0.00047   0.00030  -0.00083  -0.00049   2.12095
   A41        2.10216  -0.00020   0.00049  -0.00588  -0.00541   2.09675
   A42        2.05808  -0.00026  -0.00080   0.00680   0.00599   2.06406
   A43        2.08585  -0.00138  -0.00136  -0.00410  -0.00548   2.08037
   A44        2.06639   0.00223  -0.00081  -0.01291  -0.01419   2.05220
   A45        2.08061  -0.00066   0.00248   0.00197   0.00382   2.08443
   A46        2.07573  -0.00010  -0.00032   0.00018  -0.00007   2.07566
   A47        2.15077   0.00150   0.00421  -0.00940  -0.00524   2.14552
   A48        2.05618  -0.00139  -0.00383   0.00889   0.00502   2.06121
   A49        2.14012   0.00068   0.00097   0.00008   0.00090   2.14102
   A50        2.10414   0.00073   0.00206  -0.00573  -0.00361   2.10053
   A51        2.03874  -0.00141  -0.00302   0.00576   0.00281   2.04155
   A52        2.08040   0.00033  -0.00020  -0.00118  -0.00151   2.07889
   A53        2.11191   0.00047   0.00190  -0.00456  -0.00266   2.10924
   A54        2.10577   0.00039   0.00065  -0.00120  -0.00056   2.10521
   A55        2.06549  -0.00087  -0.00255   0.00579   0.00324   2.06873
   A56        2.11567   0.00007   0.00067  -0.00159  -0.00092   2.11474
   A57        2.08045   0.00015   0.00010   0.00210   0.00220   2.08265
   A58        2.08705  -0.00022  -0.00077  -0.00051  -0.00128   2.08577
   A59        2.06491   0.00010  -0.00121   0.00510   0.00388   2.06879
   A60        2.10657   0.00013   0.00030  -0.00272  -0.00241   2.10416
   A61        2.11171  -0.00022   0.00090  -0.00238  -0.00147   2.11024
   A62        2.11319   0.00002   0.00041  -0.00201  -0.00162   2.11157
   A63        2.04879   0.00021   0.00017  -0.00036  -0.00018   2.04861
   A64        2.12116  -0.00023  -0.00056   0.00236   0.00181   2.12297
   A65        2.19664   0.00012   0.00022  -0.00099  -0.00077   2.19587
   A66        2.19798  -0.00040  -0.00048   0.00006  -0.00042   2.19756
   A67        1.88855   0.00028   0.00025   0.00095   0.00120   1.88975
   A68        2.19004   0.00046   0.00021   0.00181   0.00200   2.19204
   A69        2.20191  -0.00056  -0.00023  -0.00173  -0.00198   2.19993
   A70        1.89118   0.00009   0.00003   0.00003   0.00004   1.89122
   A71        2.19601  -0.00012   0.00005   0.00024   0.00025   2.19625
   A72        2.19588  -0.00008   0.00008  -0.00105  -0.00101   2.19487
   A73        1.89059   0.00021  -0.00010   0.00128   0.00117   1.89176
   A74        1.90103  -0.00016  -0.00026  -0.00032  -0.00058   1.90044
   A75        2.25820   0.00017   0.00030  -0.00002   0.00028   2.25848
   A76        2.12320  -0.00001  -0.00008   0.00042   0.00034   2.12354
   A77        1.86599   0.00003   0.00026   0.00019   0.00044   1.86643
   A78        2.08637  -0.00007   0.00001  -0.00035  -0.00034   2.08603
   A79        2.33075   0.00004  -0.00028   0.00017  -0.00010   2.33064
   A80        1.86649  -0.00002  -0.00013   0.00064   0.00050   1.86699
   A81        2.32947   0.00016   0.00012   0.00020   0.00031   2.32979
   A82        2.08711  -0.00014   0.00003  -0.00081  -0.00078   2.08633
   A83        1.90006   0.00005   0.00011  -0.00048  -0.00037   1.89970
   A84        2.26271  -0.00030   0.00001  -0.00138  -0.00137   2.26133
   A85        2.11968   0.00025  -0.00009   0.00170   0.00161   2.12128
   A86        1.90162  -0.00026  -0.00022  -0.00080  -0.00102   1.90060
   A87        2.26147   0.00016  -0.00013   0.00007  -0.00005   2.26142
   A88        2.11918   0.00010   0.00035   0.00079   0.00114   2.12032
   A89        1.86680   0.00003   0.00010   0.00007   0.00017   1.86697
   A90        2.08866  -0.00012  -0.00023  -0.00095  -0.00118   2.08748
   A91        2.32762   0.00009   0.00012   0.00083   0.00094   2.32856
   A92        1.86706  -0.00004   0.00002  -0.00024  -0.00021   1.86685
   A93        2.32736   0.00015   0.00020   0.00082   0.00102   2.32839
   A94        2.08871  -0.00011  -0.00023  -0.00058  -0.00081   2.08790
   A95        1.90075  -0.00002  -0.00016   0.00001  -0.00014   1.90061
   A96        2.26442  -0.00016  -0.00009  -0.00104  -0.00114   2.26329
   A97        2.11729   0.00017   0.00023   0.00114   0.00137   2.11866
   A98        1.90088  -0.00001   0.00003  -0.00084  -0.00080   1.90008
   A99        2.26057  -0.00013  -0.00014  -0.00061  -0.00076   2.25981
   A100       2.12131   0.00014   0.00012   0.00153   0.00163   2.12294
   A101       1.86607  -0.00007  -0.00001   0.00024   0.00022   1.86630
   A102       2.08672  -0.00009   0.00006  -0.00125  -0.00119   2.08553
   A103       2.33035   0.00016  -0.00005   0.00100   0.00095   2.33130
   A104       1.86539  -0.00005   0.00008  -0.00009  -0.00001   1.86537
   A105       2.33122   0.00011   0.00007   0.00045   0.00052   2.33174
   A106       2.08652  -0.00006  -0.00016  -0.00039  -0.00055   2.08597
   A107       1.90184  -0.00008   0.00000  -0.00059  -0.00057   1.90126
   A108       2.25981  -0.00003  -0.00014  -0.00028  -0.00043   2.25938
   A109       2.12095   0.00011   0.00014   0.00093   0.00107   2.12201
   A110       2.08044  -0.00004  -0.00003  -0.00017  -0.00019   2.08025
   A111       2.10001  -0.00003   0.00012  -0.00068  -0.00056   2.09945
   A112       2.10271   0.00007  -0.00009   0.00084   0.00075   2.10346
   A113       2.10354   0.00005   0.00010   0.00011   0.00021   2.10374
   A114       2.09180   0.00001  -0.00008   0.00030   0.00022   2.09202
   A115       2.08780  -0.00006  -0.00002  -0.00041  -0.00043   2.08738
   A116       2.11938  -0.00003  -0.00025   0.00055   0.00030   2.11969
   A117       2.08570   0.00004   0.00010   0.00009   0.00019   2.08589
   A118       2.07806  -0.00001   0.00016  -0.00065  -0.00049   2.07757
   A119       2.05591  -0.00009   0.00023  -0.00143  -0.00120   2.05471
   A120       2.11907  -0.00003  -0.00013  -0.00001  -0.00014   2.11893
   A121       2.10807   0.00012  -0.00012   0.00142   0.00130   2.10938
   A122       2.05292   0.00002   0.00009  -0.00037  -0.00028   2.05263
   A123       2.11858   0.00005  -0.00006   0.00142   0.00136   2.11994
   A124       2.11165  -0.00007  -0.00003  -0.00105  -0.00108   2.11057
   A125       2.12037  -0.00002  -0.00004   0.00008   0.00004   2.12041
   A126       2.07726   0.00005  -0.00018   0.00113   0.00094   2.07821
   A127       2.08554  -0.00003   0.00022  -0.00121  -0.00098   2.08456
   A128       2.10444   0.00003   0.00004  -0.00005  -0.00001   2.10443
   A129       2.08700  -0.00001  -0.00011   0.00041   0.00029   2.08730
   A130       2.09173  -0.00002   0.00007  -0.00038  -0.00030   2.09143
   A131       2.07888   0.00004  -0.00002   0.00023   0.00020   2.07909
   A132       2.10078  -0.00004   0.00004  -0.00066  -0.00062   2.10016
   A133       2.10351  -0.00000  -0.00002   0.00043   0.00041   2.10392
   A134       2.08019   0.00002   0.00010  -0.00019  -0.00009   2.08010
   A135       2.09966  -0.00004  -0.00007  -0.00018  -0.00025   2.09941
   A136       2.10334   0.00001  -0.00003   0.00037   0.00034   2.10368
   A137       2.10291   0.00004  -0.00003   0.00056   0.00054   2.10344
   A138       2.09213   0.00002  -0.00004   0.00049   0.00045   2.09259
   A139       2.08814  -0.00006   0.00007  -0.00106  -0.00100   2.08714
   A140       2.11915  -0.00004  -0.00003  -0.00004  -0.00007   2.11908
   A141       2.08874   0.00000   0.00004  -0.00088  -0.00084   2.08789
   A142       2.07529   0.00004  -0.00001   0.00093   0.00092   2.07620
   A143       2.05778  -0.00008  -0.00006  -0.00081  -0.00087   2.05692
   A144       2.12132  -0.00000  -0.00000  -0.00095  -0.00095   2.12037
   A145       2.10406   0.00008   0.00006   0.00176   0.00182   2.10588
   A146       2.05534  -0.00004  -0.00010  -0.00038  -0.00048   2.05486
   A147       2.12024  -0.00000   0.00016  -0.00093  -0.00078   2.11947
   A148       2.10755   0.00004  -0.00005   0.00129   0.00124   2.10879
   A149       2.12042  -0.00004  -0.00013  -0.00011  -0.00024   2.12018
   A150       2.07751  -0.00003   0.00017  -0.00100  -0.00083   2.07668
   A151       2.08524   0.00007  -0.00004   0.00111   0.00107   2.08631
   A152       2.10304   0.00007   0.00016   0.00039   0.00055   2.10360
   A153       2.08794  -0.00006  -0.00003  -0.00047  -0.00049   2.08744
   A154       2.09218  -0.00001  -0.00014   0.00007  -0.00007   2.09211
   A155       2.07935   0.00002  -0.00004   0.00034   0.00030   2.07965
   A156       2.10008  -0.00003  -0.00006   0.00027   0.00021   2.10029
   A157       2.10373   0.00000   0.00010  -0.00061  -0.00050   2.10322
   A158       2.08004  -0.00003   0.00009  -0.00033  -0.00024   2.07980
   A159       2.10043  -0.00003   0.00009  -0.00078  -0.00069   2.09975
   A160       2.10269   0.00006  -0.00018   0.00112   0.00095   2.10364
   A161       2.10394   0.00002  -0.00001   0.00048   0.00047   2.10442
   A162       2.09197  -0.00002   0.00008  -0.00076  -0.00068   2.09129
   A163       2.08725  -0.00000  -0.00007   0.00029   0.00021   2.08746
   A164       2.11962  -0.00000  -0.00004  -0.00010  -0.00015   2.11947
   A165       2.08534  -0.00001   0.00017  -0.00069  -0.00052   2.08482
   A166       2.07821   0.00001  -0.00012   0.00080   0.00068   2.07888
   A167       2.05509  -0.00004  -0.00001  -0.00053  -0.00054   2.05455
   A168       2.11776  -0.00001  -0.00008  -0.00002  -0.00010   2.11766
   A169       2.11029   0.00005   0.00009   0.00056   0.00065   2.11094
   A170       2.05475  -0.00009  -0.00005  -0.00101  -0.00105   2.05369
   A171       2.11846  -0.00000   0.00002  -0.00014  -0.00012   2.11834
   A172       2.10996   0.00010   0.00002   0.00116   0.00118   2.11115
   A173       2.11990   0.00002  -0.00013   0.00038   0.00025   2.12016
   A174       2.07820  -0.00005   0.00011  -0.00071  -0.00060   2.07760
   A175       2.08509   0.00003   0.00001   0.00032   0.00034   2.08543
   A176       2.10392   0.00004   0.00022  -0.00013   0.00008   2.10401
   A177       2.08718  -0.00001  -0.00012   0.00016   0.00004   2.08722
   A178       2.09208  -0.00004  -0.00010  -0.00003  -0.00013   2.09194
   A179       2.07961  -0.00002  -0.00022   0.00054   0.00031   2.07992
   A180       2.10051  -0.00003   0.00020  -0.00112  -0.00092   2.09959
   A181       2.10304   0.00005   0.00002   0.00060   0.00062   2.10366
   A182       2.00968  -0.00036   0.00269  -0.00849  -0.00574   2.00393
   A183       1.85447   0.00395  -0.00006  -0.01288  -0.01299   1.84148
   A184       1.71189   0.00167   0.00207   0.01688   0.01900   1.73089
   A185       2.02031   0.00091   0.00164   0.01074   0.01241   2.03272
   A186       2.04987  -0.00210  -0.00332  -0.01799  -0.02129   2.02857
   A187       1.77766  -0.00390  -0.00348   0.01402   0.01062   1.78828
   A188       2.10652   0.01584   0.00456   0.01491   0.01947   2.12598
   A189       2.06171   0.00166  -0.00033   0.02301   0.02268   2.08439
   A190       1.89872  -0.00090  -0.00107  -0.00334  -0.00442   1.89431
   A191       1.90369   0.00350  -0.00230   0.00432   0.00202   1.90571
   A192       1.84511  -0.00094  -0.00048   0.00249   0.00201   1.84712
   A193       1.95019  -0.00211   0.00081   0.00249   0.00331   1.95351
   A194       1.95374   0.00065   0.00142  -0.00116   0.00026   1.95400
   A195       1.90888  -0.00002   0.00140  -0.00461  -0.00321   1.90567
   A196       1.90938  -0.00017   0.00047  -0.00434  -0.00387   1.90551
   A197       1.93962   0.00018  -0.00040   0.00383   0.00343   1.94305
   A198       1.93322  -0.00003  -0.00040  -0.00201  -0.00241   1.93081
   A199       1.89197  -0.00002  -0.00012  -0.00058  -0.00070   1.89127
   A200       1.88901   0.00007   0.00058  -0.00074  -0.00017   1.88884
   A201       1.89948  -0.00003  -0.00011   0.00379   0.00368   1.90316
   A202       1.91498   0.00086  -0.00057  -0.00119  -0.00177   1.91321
   A203       1.84515  -0.00050   0.00240  -0.00239   0.00001   1.84516
   A204       1.91994  -0.00024   0.00062  -0.00314  -0.00254   1.91740
   A205       1.95193  -0.00007  -0.00074   0.00319   0.00245   1.95438
   A206       1.94486  -0.00043  -0.00031  -0.00380  -0.00412   1.94074
   A207       1.88422   0.00036  -0.00125   0.00743   0.00619   1.89041
   A208       1.91626   0.00021  -0.00056   0.00084   0.00028   1.91654
   A209       1.93217  -0.00044   0.00028  -0.00556  -0.00528   1.92689
   A210       1.93030   0.00010   0.00001   0.00367   0.00369   1.93399
   A211       1.89375  -0.00001   0.00027  -0.00105  -0.00079   1.89296
   A212       1.89109  -0.00012   0.00032  -0.00085  -0.00053   1.89056
   A213       1.89937   0.00026  -0.00031   0.00297   0.00266   1.90203
   A214       2.35229  -0.00217  -0.00211  -0.02663  -0.02873   2.32355
    D1       -0.00153   0.00004  -0.00021   0.00186   0.00166   0.00013
    D2        3.11140   0.00021   0.00220   0.00198   0.00422   3.11562
    D3        3.13348  -0.00007  -0.00082   0.00327   0.00245   3.13593
    D4       -0.03678   0.00009   0.00159   0.00340   0.00501  -0.03177
    D5       -0.03735  -0.00001   0.00110  -0.00193  -0.00084  -0.03819
    D6        3.10571  -0.00007   0.00019   0.00145   0.00163   3.10733
    D7        3.11086   0.00011   0.00172  -0.00336  -0.00164   3.10922
    D8       -0.02928   0.00005   0.00080   0.00002   0.00083  -0.02845
    D9        2.29509  -0.00028   0.00136  -0.03257  -0.03120   2.26388
   D10       -0.85227  -0.00023   0.00035  -0.02838  -0.02803  -0.88030
   D11       -0.85315  -0.00040   0.00074  -0.03113  -0.03039  -0.88354
   D12        2.28268  -0.00035  -0.00027  -0.02693  -0.02722   2.25546
   D13        0.05525   0.00001  -0.00141   0.00083  -0.00057   0.05467
   D14       -2.98530   0.00029   0.00008  -0.00984  -0.00966  -2.99496
   D15       -3.05715  -0.00016  -0.00385   0.00072  -0.00315  -3.06030
   D16        0.18549   0.00012  -0.00236  -0.00996  -0.01224   0.17325
   D17       -0.07042  -0.00009   0.00212  -0.00345  -0.00137  -0.07179
   D18        3.03988   0.00000   0.00431   0.00077   0.00509   3.04497
   D19        2.97501  -0.00038   0.00070   0.00626   0.00689   2.98190
   D20       -0.19788  -0.00028   0.00290   0.01048   0.01335  -0.18453
   D21       -2.91708  -0.00007  -0.00693  -0.00567  -0.01261  -2.92969
   D22        0.35554  -0.00012  -0.00724  -0.02199  -0.02923   0.32631
   D23        0.32459   0.00020  -0.00536  -0.01613  -0.02144   0.30316
   D24       -2.68597   0.00015  -0.00567  -0.03245  -0.03806  -2.72403
   D25        0.03262   0.00011  -0.00121   0.00333   0.00216   0.03478
   D26       -3.11112   0.00005  -0.00032  -0.00025  -0.00055  -3.11168
   D27       -3.07764   0.00002  -0.00341  -0.00096  -0.00435  -3.08199
   D28        0.06181  -0.00004  -0.00252  -0.00454  -0.00707   0.05474
   D29       -0.36698  -0.00046   0.00090   0.01614   0.01692  -0.35007
   D30        2.85345  -0.00078   0.00084  -0.00251  -0.00186   2.85159
   D31        2.74315  -0.00037   0.00312   0.02042   0.02344   2.76660
   D32       -0.31960  -0.00069   0.00306   0.00177   0.00467  -0.31493
   D33        0.02172  -0.00007  -0.00038  -0.00069  -0.00109   0.02063
   D34       -3.12134  -0.00001   0.00054  -0.00409  -0.00358  -3.12492
   D35       -3.11767  -0.00001  -0.00129   0.00298   0.00169  -3.11598
   D36        0.02245   0.00005  -0.00037  -0.00043  -0.00079   0.02165
   D37        0.13164   0.00048   0.00331  -0.00530  -0.00191   0.12973
   D38       -2.90379   0.00039   0.00259  -0.01970  -0.01708  -2.92087
   D39       -3.13931   0.00040   0.00371   0.01093   0.01469  -3.12462
   D40        0.10845   0.00032   0.00299  -0.00346  -0.00048   0.10796
   D41        2.95917  -0.00010  -0.00249   0.02016   0.01763   2.97680
   D42       -0.14507  -0.00001  -0.00341   0.01722   0.01379  -0.13128
   D43       -0.05254  -0.00014  -0.00285   0.00384   0.00099  -0.05155
   D44        3.12640  -0.00005  -0.00377   0.00091  -0.00285   3.12355
   D45       -0.66238  -0.00045   0.00086   0.02386   0.02485  -0.63752
   D46       -3.02220  -0.00011  -0.00567  -0.02566  -0.03159  -3.05379
   D47        2.36862  -0.00051   0.00158   0.03893   0.04070   2.40933
   D48        0.00880  -0.00016  -0.00494  -0.01059  -0.01574  -0.00694
   D49       -0.08556  -0.00027  -0.00086   0.00165   0.00081  -0.08475
   D50        2.99584  -0.00025  -0.00110   0.00383   0.00275   2.99860
   D51       -3.11652  -0.00027  -0.00160  -0.01327  -0.01493  -3.13145
   D52       -0.03512  -0.00025  -0.00184  -0.01108  -0.01299  -0.04810
   D53        0.77427   0.00049  -0.00264  -0.02918  -0.03193   0.74234
   D54       -2.45058   0.00080  -0.00261  -0.00889  -0.01170  -2.46228
   D55       -3.12970   0.00012   0.00454   0.01770   0.02241  -3.10729
   D56       -0.07136   0.00044   0.00456   0.03799   0.04264  -0.02872
   D57        2.40049  -0.00216  -0.00055   0.03746   0.03695   2.43745
   D58       -1.07903  -0.00167   0.00094  -0.01095  -0.00973  -1.08875
   D59        0.07486  -0.00106  -0.00700  -0.01739  -0.02453   0.05033
   D60        2.87852  -0.00057  -0.00551  -0.06580  -0.07121   2.80731
   D61        3.09314   0.00060   0.00056  -0.00806  -0.00740   3.08574
   D62        0.03742   0.00023   0.00040  -0.02871  -0.02817   0.00925
   D63       -0.02959  -0.00016   0.00044  -0.00213  -0.00169  -0.03128
   D64       -3.12977  -0.00003  -0.00056   0.00048  -0.00008  -3.12984
   D65        3.07524  -0.00025   0.00137   0.00075   0.00211   3.07736
   D66       -0.02493  -0.00012   0.00037   0.00336   0.00373  -0.02121
   D67        0.05438   0.00020   0.00180   0.00021   0.00201   0.05639
   D68       -3.05469   0.00013   0.00107   0.00118   0.00225  -3.05245
   D69       -3.12872   0.00005   0.00280  -0.00249   0.00031  -3.12841
   D70        0.04539  -0.00003   0.00207  -0.00152   0.00055   0.04594
   D71       -2.24946   0.00001  -0.00282   0.00170  -0.00112  -2.25058
   D72        0.90549  -0.00019  -0.00321  -0.00953  -0.01274   0.89274
   D73        0.93412   0.00016  -0.00383   0.00429   0.00046   0.93458
   D74       -2.19412  -0.00004  -0.00421  -0.00694  -0.01115  -2.20528
   D75        0.00374   0.00005  -0.00159   0.00001  -0.00158   0.00216
   D76       -3.07913   0.00003  -0.00140  -0.00170  -0.00312  -3.08224
   D77        3.11270   0.00012  -0.00087  -0.00099  -0.00186   3.11084
   D78        0.02983   0.00010  -0.00067  -0.00270  -0.00339   0.02644
   D79       -0.05179   0.00098   0.00494  -0.00808  -0.00321  -0.05501
   D80        3.12496   0.00064   0.00265   0.00278   0.00533   3.13030
   D81       -2.85270  -0.00006   0.00408   0.04362   0.04787  -2.80484
   D82        0.32406  -0.00041   0.00178   0.05449   0.05641   0.38047
   D83        0.16384  -0.00143  -0.00513  -0.00489  -0.01003   0.15381
   D84       -2.09737  -0.00573  -0.00940  -0.00188  -0.01137  -2.10874
   D85        2.35459  -0.00303  -0.00638  -0.01965  -0.02603   2.32855
   D86        2.96854  -0.00109  -0.00439  -0.05434  -0.05867   2.90987
   D87        0.70733  -0.00539  -0.00866  -0.05133  -0.06001   0.64733
   D88       -1.12390  -0.00269  -0.00564  -0.06910  -0.07467  -1.19857
   D89        0.01521  -0.00022   0.00038   0.02017   0.02055   0.03576
   D90       -3.10465  -0.00026  -0.00016   0.01365   0.01350  -3.09115
   D91        3.12354   0.00016   0.00268   0.00954   0.01222   3.13576
   D92        0.00369   0.00013   0.00213   0.00301   0.00517   0.00885
   D93        3.12552   0.00019   0.00057  -0.01607  -0.01550   3.11002
   D94       -0.02337   0.00019   0.00061  -0.01163  -0.01102  -0.03439
   D95        0.01872  -0.00017  -0.00175  -0.00516  -0.00693   0.01179
   D96       -3.13017  -0.00017  -0.00170  -0.00072  -0.00245  -3.13262
   D97       -0.00796  -0.00036  -0.00304  -0.00162  -0.00462  -0.01258
   D98        3.11266  -0.00030  -0.00246   0.00454   0.00214   3.11480
   D99       -0.02216  -0.00000  -0.00120   0.00094  -0.00027  -0.02243
   D100       3.11087  -0.00001   0.00049  -0.00043   0.00006   3.11093
   D101       3.13994  -0.00006  -0.00176  -0.00516  -0.00691   3.13303
   D102      -0.01021  -0.00006  -0.00006  -0.00653  -0.00658  -0.01680
   D103      -0.02344   0.00008   0.00039   0.00350   0.00388  -0.01956
   D104       3.11252   0.00005   0.00148   0.00197   0.00344   3.11596
   D105       3.12528   0.00008   0.00034  -0.00081  -0.00049   3.12480
   D106      -0.02194   0.00005   0.00143  -0.00235  -0.00093  -0.02287
   D107       0.00488   0.00003   0.00058   0.00059   0.00117   0.00605
   D108      -3.13855  -0.00000  -0.00074   0.00113   0.00040  -3.13815
   D109      -3.13106   0.00006  -0.00051   0.00212   0.00160  -3.12946
   D110       0.00870   0.00003  -0.00183   0.00267   0.00083   0.00952
   D111       0.01772  -0.00008  -0.00021  -0.00268  -0.00289   0.01483
   D112      -3.11496  -0.00008  -0.00197  -0.00125  -0.00322  -3.11817
   D113      -3.12204  -0.00004   0.00112  -0.00322  -0.00211  -3.12414
   D114       0.02847  -0.00004  -0.00065  -0.00179  -0.00244   0.02604
   D115      -2.18151   0.00009  -0.00140   0.00361   0.00221  -2.17930
   D116       0.91489   0.00024  -0.00055   0.01863   0.01806   0.93295
   D117       0.95820   0.00005  -0.00276   0.00417   0.00142   0.95962
   D118      -2.22858   0.00021  -0.00191   0.01919   0.01727  -2.21131
   D119       3.13609   0.00003  -0.00020   0.00037   0.00017   3.13626
   D120      -0.05178   0.00004  -0.00014   0.00213   0.00200  -0.04978
   D121      -0.00059  -0.00001   0.00067  -0.00320  -0.00254  -0.00313
   D122       3.09473  -0.00001   0.00073  -0.00144  -0.00071   3.09402
   D123      -3.13524  -0.00003   0.00020  -0.00044  -0.00023  -3.13548
   D124      -0.03467  -0.00001  -0.00023   0.00263   0.00240  -0.03227
   D125       0.00143   0.00002  -0.00066   0.00313   0.00247   0.00391
   D126       3.10201   0.00004  -0.00109   0.00620   0.00510   3.10711
   D127      -3.13831  -0.00005  -0.00028  -0.00378  -0.00407   3.14081
   D128       0.04538  -0.00011   0.00068  -0.00584  -0.00517   0.04022
   D129      -0.00807   0.00011   0.00005   0.00576   0.00581  -0.00226
   D130      -3.10756   0.00005   0.00101   0.00370   0.00471  -3.10285
   D131       3.13681   0.00007   0.00027   0.00403   0.00428   3.14109
   D132       0.03679   0.00005  -0.00080   0.00865   0.00783   0.04462
   D133       0.00667  -0.00010  -0.00007  -0.00562  -0.00569   0.00098
   D134      -3.09335  -0.00012  -0.00113  -0.00101  -0.00214  -3.09549
   D135       3.10527   0.00010   0.00032   0.01059   0.01092   3.11620
   D136      -0.00476   0.00006   0.00035   0.00771   0.00806   0.00331
   D137       0.00228  -0.00003  -0.00040  -0.00218  -0.00259  -0.00031
   D138      -3.10775  -0.00007  -0.00038  -0.00507  -0.00545  -3.11320
   D139      -3.10641  -0.00010  -0.00028  -0.01036  -0.01063  -3.11705
   D140       0.07229  -0.00013  -0.00023  -0.01228  -0.01251   0.05977
   D141      -0.00342   0.00003   0.00045   0.00245   0.00290  -0.00052
   D142      -3.10790  -0.00001   0.00050   0.00053   0.00102  -3.10688
   D143       0.00628  -0.00008  -0.00001  -0.00366  -0.00367   0.00261
   D144      -3.12337  -0.00008   0.00065  -0.00418  -0.00354  -3.12691
   D145       3.10966  -0.00002  -0.00087  -0.00180  -0.00267   3.10698
   D146      -0.02000  -0.00001  -0.00021  -0.00232  -0.00254  -0.02254
   D147       3.11499   0.00007  -0.00074   0.00338   0.00264   3.11763
   D148      -0.01625   0.00006  -0.00055   0.00352   0.00297  -0.01328
   D149       0.02018   0.00001   0.00033   0.00110   0.00143   0.02161
   D150      -3.11106  -0.00000   0.00052   0.00124   0.00176  -3.10929
   D151      -0.00216   0.00002  -0.00003   0.00021   0.00019  -0.00197
   D152       3.12245   0.00005   0.00075   0.00210   0.00285   3.12530
   D153       3.12511   0.00001  -0.00082   0.00084   0.00002   3.12513
   D154      -0.03347   0.00004  -0.00004   0.00273   0.00268  -0.03079
   D155       0.00582  -0.00000   0.00001   0.00065   0.00066   0.00648
   D156      -3.14107  -0.00002  -0.00032  -0.00041  -0.00073   3.14139
   D157      -3.12002   0.00001   0.00088  -0.00004   0.00084  -3.11919
   D158       0.01628  -0.00001   0.00055  -0.00110  -0.00055   0.01573
   D159      -0.00274   0.00005   0.00006   0.00331   0.00336   0.00063
   D160       3.10134   0.00005   0.00102  -0.00094   0.00007   3.10141
   D161      -3.13015   0.00002  -0.00059   0.00172   0.00113  -3.12902
   D162      -0.02608   0.00003   0.00037  -0.00253  -0.00216  -0.02824
   D163      -3.11401  -0.00007  -0.00131  -0.00048  -0.00179  -3.11580
   D164       0.02029  -0.00003  -0.00109  -0.00180  -0.00288   0.01741
   D165       0.00890  -0.00004  -0.00046   0.00161   0.00115   0.01005
   D166      -3.13998   0.00001  -0.00023   0.00029   0.00005  -3.13993
   D167       3.11893   0.00003   0.00112  -0.00370  -0.00258   3.11635
   D168      -0.00511  -0.00004   0.00178  -0.00228  -0.00050  -0.00562
   D169       0.02345   0.00001  -0.00006   0.00148   0.00142   0.02487
   D170      -3.10059  -0.00006   0.00059   0.00290   0.00349  -3.09710
   D171      -0.00045  -0.00000  -0.00042   0.00203   0.00161   0.00116
   D172       3.12741  -0.00001  -0.00082  -0.00144  -0.00225   3.12516
   D173      -3.10025  -0.00001  -0.00046   0.00045  -0.00000  -3.10026
   D174       0.02761  -0.00002  -0.00086  -0.00301  -0.00387   0.02374
   D175      -3.11727   0.00003   0.00050   0.00175   0.00225  -3.11501
   D176       0.01306   0.00001   0.00155  -0.00053   0.00101   0.01407
   D177      -0.02696   0.00003   0.00055   0.00367   0.00422  -0.02274
   D178       3.10336   0.00001   0.00160   0.00139   0.00299   3.10635
   D179       0.00131   0.00001   0.00001  -0.00011  -0.00010   0.00121
   D180      -3.12864   0.00001   0.00043  -0.00071  -0.00028  -3.12892
   D181      -3.12388   0.00003   0.00050   0.00406   0.00456  -3.11932
   D182       0.02936   0.00002   0.00091   0.00346   0.00438   0.03373
   D183      -0.00828  -0.00000   0.00053   0.00048   0.00101  -0.00727
   D184       3.14090  -0.00001  -0.00004   0.00028   0.00023   3.14113
   D185       3.11526  -0.00002  -0.00000  -0.00410  -0.00410   3.11115
   D186      -0.01875  -0.00002  -0.00058  -0.00430  -0.00488  -0.02363
   D187      -0.00169  -0.00002   0.00040  -0.00185  -0.00145  -0.00315
   D188      -3.10637  -0.00002   0.00079  -0.00455  -0.00376  -3.11013
   D189       3.13015  -0.00001   0.00005  -0.00134  -0.00129   3.12887
   D190       0.02548  -0.00002   0.00045  -0.00404  -0.00359   0.02188
   D191       3.12277   0.00000  -0.00062   0.00307   0.00245   3.12522
   D192      -0.01556   0.00003  -0.00087   0.00268   0.00181  -0.01375
   D193      -0.00601  -0.00000  -0.00016   0.00241   0.00225  -0.00376
   D194       3.13885   0.00002  -0.00041   0.00202   0.00160   3.14045
   D195      -3.12348   0.00003  -0.00002  -0.00013  -0.00015  -3.12363
   D196       0.01104  -0.00002   0.00048   0.00015   0.00063   0.01166
   D197      -0.02731   0.00004  -0.00050   0.00323   0.00273  -0.02458
   D198       3.10721  -0.00000  -0.00001   0.00351   0.00351   3.11071
   D199      -0.00029   0.00002   0.00021   0.00108   0.00128   0.00099
   D200      -3.13283   0.00002   0.00048   0.00228   0.00275  -3.13008
   D201       3.11273   0.00005   0.00018   0.00365   0.00383   3.11656
   D202      -0.01981   0.00005   0.00045   0.00485   0.00530  -0.01451
   D203       3.12309   0.00003  -0.00041   0.00231   0.00189   3.12499
   D204      -0.01306   0.00000  -0.00032   0.00025  -0.00007  -0.01313
   D205       0.01654  -0.00001  -0.00038  -0.00086  -0.00124   0.01530
   D206      -3.11961  -0.00004  -0.00029  -0.00291  -0.00320  -3.12282
   D207      -0.00176   0.00000   0.00007   0.00042   0.00048  -0.00128
   D208       3.12816  -0.00002  -0.00081  -0.00313  -0.00394   3.12421
   D209       3.12897  -0.00001  -0.00026  -0.00104  -0.00130   3.12767
   D210      -0.02430  -0.00002  -0.00113  -0.00459  -0.00572  -0.03002
   D211       0.00911  -0.00007  -0.00018  -0.00650  -0.00668   0.00243
   D212      -3.13894  -0.00002  -0.00011  -0.00241  -0.00252  -3.14145
   D213      -3.12054  -0.00006   0.00017  -0.00490  -0.00473  -3.12527
   D214       0.01460  -0.00001   0.00025  -0.00081  -0.00057   0.01403
   D215       0.00319  -0.00002  -0.00031  -0.00176  -0.00208   0.00111
   D216       3.11119   0.00001  -0.00037  -0.00005  -0.00041   3.11078
   D217      -3.12868  -0.00000   0.00041   0.00118   0.00160  -3.12708
   D218      -0.02068   0.00003   0.00036   0.00290   0.00326  -0.01742
   D219      -3.12284   0.00002   0.00077   0.00273   0.00350  -3.11934
   D220       0.01213   0.00004   0.00124   0.00528   0.00651   0.01864
   D221       0.00591  -0.00000  -0.00019  -0.00117  -0.00136   0.00455
   D222       3.14088   0.00002   0.00028   0.00138   0.00165  -3.14065
   D223       3.12083   0.00001  -0.00036  -0.00027  -0.00063   3.12020
   D224      -0.01143  -0.00001  -0.00037  -0.00141  -0.00177  -0.01321
   D225       0.02040  -0.00003  -0.00031  -0.00238  -0.00268   0.01772
   D226      -3.11186  -0.00005  -0.00031  -0.00351  -0.00382  -3.11568
   D227       0.00977   0.00000   0.00025   0.00022   0.00047   0.01024
   D228       3.14108   0.00005   0.00036   0.00013   0.00049   3.14157
   D229      -3.12452  -0.00004   0.00002   0.00155   0.00157  -3.12295
   D230       0.00678   0.00000   0.00014   0.00146   0.00160   0.00838
   D231      -0.01227   0.00003   0.00007  -0.00128  -0.00121  -0.01349
   D232       3.11982   0.00005   0.00094  -0.00233  -0.00139   3.11843
   D233       3.13958  -0.00001  -0.00004  -0.00119  -0.00124   3.13834
   D234      -0.01151   0.00001   0.00083  -0.00224  -0.00141  -0.01292
   D235      -0.00438  -0.00004  -0.00016   0.00043   0.00027  -0.00411
   D236       3.11978   0.00003  -0.00081  -0.00099  -0.00180   3.11798
   D237      -3.13652  -0.00006  -0.00103   0.00147   0.00044  -3.13607
   D238      -0.01236   0.00001  -0.00168   0.00005  -0.00163  -0.01399
   D239      -0.00684   0.00002  -0.00025   0.00177   0.00151  -0.00533
   D240       3.14027   0.00001   0.00026   0.00121   0.00147  -3.14145
   D241       3.12444   0.00003  -0.00044   0.00164   0.00120   3.12564
   D242      -0.01164   0.00002   0.00007   0.00109   0.00116  -0.01048
   D243      -0.00679  -0.00004   0.00006  -0.00345  -0.00338  -0.01018
   D244       3.14059   0.00001  -0.00019  -0.00007  -0.00026   3.14034
   D245       3.12926  -0.00003  -0.00045  -0.00288  -0.00333   3.12592
   D246      -0.00654   0.00001  -0.00071   0.00050  -0.00021  -0.00675
   D247       0.00720   0.00003   0.00006   0.00216   0.00222   0.00942
   D248      -3.12909   0.00004   0.00039   0.00322   0.00361  -3.12548
   D249      -3.14020  -0.00001   0.00032  -0.00123  -0.00092  -3.14112
   D250       0.00669   0.00000   0.00064  -0.00017   0.00048   0.00717
   D251      -0.01050   0.00001  -0.00006  -0.00010  -0.00016  -0.01066
   D252       3.13371   0.00006  -0.00056   0.00275   0.00219   3.13590
   D253       3.12782  -0.00002   0.00020   0.00029   0.00049   3.12831
   D254      -0.01116   0.00003  -0.00031   0.00314   0.00284  -0.00832
   D255       0.00836   0.00002  -0.00001  -0.00068  -0.00068   0.00767
   D256      -3.13775   0.00007   0.00105   0.00049   0.00154  -3.13621
   D257      -3.13584  -0.00004   0.00050  -0.00352  -0.00303  -3.13887
   D258       0.00123   0.00001   0.00155  -0.00235  -0.00080   0.00043
   D259       0.01051  -0.00004   0.00028  -0.00089  -0.00061   0.00990
   D260      -3.12408   0.00000  -0.00021  -0.00116  -0.00137  -3.12545
   D261      -3.12660  -0.00009  -0.00077  -0.00204  -0.00282  -3.12942
   D262       0.02200  -0.00005  -0.00126  -0.00231  -0.00358   0.01842
   D263       0.00785  -0.00002   0.00007  -0.00193  -0.00186   0.00599
   D264      -3.13932  -0.00001   0.00029  -0.00157  -0.00127  -3.14060
   D265      -3.12256   0.00000  -0.00097   0.00036  -0.00061  -3.12318
   D266       0.01345   0.00001  -0.00075   0.00072  -0.00003   0.01342
   D267       0.01085  -0.00000  -0.00040  -0.00052  -0.00092   0.00994
   D268      -3.13873  -0.00001  -0.00041  -0.00195  -0.00236  -3.14109
   D269      -3.12513  -0.00001  -0.00062  -0.00088  -0.00150  -3.12663
   D270       0.00847  -0.00001  -0.00063  -0.00231  -0.00294   0.00553
   D271      -0.01045   0.00001   0.00009   0.00125   0.00134  -0.00912
   D272       3.12354   0.00002   0.00066   0.00146   0.00212   3.12566
   D273       3.13915   0.00002   0.00010   0.00269   0.00279  -3.14125
   D274      -0.01004   0.00002   0.00067   0.00290   0.00357  -0.00648
   D275       0.00818  -0.00002  -0.00002  -0.00097  -0.00100   0.00718
   D276      -3.14041   0.00001   0.00003   0.00025   0.00028  -3.14013
   D277      -3.12678  -0.00004  -0.00049  -0.00352  -0.00401  -3.13079
   D278       0.00782  -0.00002  -0.00043  -0.00230  -0.00273   0.00509
   D279      -0.00828   0.00002   0.00008   0.00149   0.00157  -0.00671
   D280       3.12731   0.00005  -0.00005   0.00363   0.00358   3.13089
   D281       3.14029  -0.00001   0.00002   0.00028   0.00030   3.14059
   D282      -0.00731   0.00002  -0.00010   0.00242   0.00231  -0.00499
   D283      -0.00599   0.00001   0.00009   0.00020   0.00028  -0.00571
   D284       3.12631   0.00002   0.00009   0.00133   0.00142   3.12773
   D285       3.14158  -0.00002   0.00021  -0.00193  -0.00172   3.13986
   D286      -0.00931  -0.00000   0.00021  -0.00080  -0.00058  -0.00989
   D287      -0.00312  -0.00001   0.00006  -0.00140  -0.00134  -0.00447
   D288       3.13947  -0.00000   0.00022  -0.00018   0.00004   3.13952
   D289       3.13306   0.00002  -0.00003   0.00064   0.00061   3.13367
   D290      -0.00753   0.00003   0.00014   0.00186   0.00200  -0.00554
   D291      -0.00713  -0.00000   0.00019  -0.00032  -0.00013  -0.00726
   D292       3.13716   0.00002  -0.00046   0.00257   0.00211   3.13927
   D293       3.13345  -0.00001   0.00003  -0.00155  -0.00152   3.13193
   D294      -0.00544   0.00001  -0.00062   0.00135   0.00072  -0.00472
   D295       0.00397   0.00004  -0.00013   0.00431   0.00419   0.00816
   D296      -3.13116  -0.00001  -0.00020   0.00022   0.00002  -3.13114
   D297      -3.14033   0.00002   0.00053   0.00141   0.00194  -3.13838
   D298       0.00773  -0.00003   0.00046  -0.00268  -0.00222   0.00550
   D299       1.67056   0.00246   0.00783   0.04359   0.05141   1.72198
   D300      -0.58447  -0.00115   0.00294   0.05787   0.06088  -0.52359
   D301      -2.82938   0.00402   0.00885   0.06302   0.07181  -2.75757
   D302      -3.08692   0.00105  -0.03702  -0.13025  -0.16717   3.02910
   D303      -0.92486   0.00071  -0.03392  -0.13797  -0.17186  -1.09672
   D304       1.30116  -0.00267  -0.03673  -0.12442  -0.16128   1.13988
   D305      -2.30228  -0.00135   0.00138  -0.02307  -0.02169  -2.32397
   D306      -0.17104  -0.00233   0.00030  -0.01943  -0.01913  -0.19016
   D307       1.87986  -0.00111   0.00054  -0.02134  -0.02079   1.85907
   D308       1.90921  -0.00031   0.02127   0.05914   0.08042   1.98963
   D309      -2.26638  -0.00022   0.02148   0.06091   0.08239  -2.18399
   D310      -0.23628  -0.00019   0.02164   0.06678   0.08841  -0.14787
   D311      -3.07748   0.00128   0.00014   0.00851   0.00865  -3.06883
   D312      -0.98895   0.00125   0.00005   0.00738   0.00742  -0.98152
   D313       1.12480   0.00131  -0.00063   0.01340   0.01277   1.13757
   D314       1.10293  -0.00117   0.00321   0.00377   0.00698   1.10991
   D315      -3.09173  -0.00119   0.00311   0.00264   0.00575  -3.08597
   D316      -0.97798  -0.00114   0.00244   0.00866   0.01109  -0.96688
   D317      -1.04493  -0.00006  -0.00029   0.00881   0.00853  -1.03640
   D318       1.04360  -0.00008  -0.00038   0.00768   0.00730   1.05090
   D319      -3.12583  -0.00003  -0.00106   0.01370   0.01264  -3.11319
   D320      -0.91121  -0.00139   0.00812  -0.02099  -0.01287  -0.92408
   D321       1.18867  -0.00153   0.00577  -0.02072  -0.01494   1.17373
   D322      -2.92138  -0.00219   0.00920  -0.02382  -0.01462  -2.93601
   D323       3.05113   0.00008   0.00214   0.03065   0.03278   3.08391
   D324      -1.14156  -0.00008   0.00229   0.02637   0.02866  -1.11290
   D325       0.96511   0.00002   0.00209   0.02886   0.03094   0.99605
   D326       1.00943   0.00019  -0.00002   0.03242   0.03240   1.04182
   D327       3.09992   0.00004   0.00014   0.02814   0.02828   3.12820
   D328      -1.07659   0.00014  -0.00006   0.03063   0.03056  -1.04603
   D329      -1.10136   0.00008   0.00232   0.02332   0.02564  -1.07572
   D330       0.98914  -0.00008   0.00247   0.01904   0.02152   1.01066
   D331       3.09581   0.00002   0.00227   0.02153   0.02380   3.11961
         Item               Value     Threshold  Converged?
 Maximum Force            0.015842     0.000450     NO 
 RMS     Force            0.000924     0.000300     NO 
 Maximum Displacement     0.597506     0.001800     NO 
 RMS     Displacement     0.084377     0.001200     NO 
 Predicted change in Energy=-9.295883D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.619091    3.234780    0.097627
      2          6           0       -2.771560    1.854061    0.241295
      3          6           0       -1.663188    0.999586    0.192661
      4          6           0       -0.374813    1.557655    0.062410
      5          6           0       -0.230376    2.941831   -0.102663
      6          6           0       -1.337414    3.776316   -0.098618
      7          6           0       -1.793321   -0.469457    0.158315
      8          6           0       -0.655997   -1.288874    0.367937
      9          6           0        0.625223   -0.639201    0.787634
     10          6           0        0.814054    0.694851    0.130909
     11          6           0       -3.002789   -1.067316   -0.214446
     12          6           0       -3.093897   -2.441423   -0.441808
     13          6           0       -1.943320   -3.231935   -0.330653
     14          6           0       -0.746457   -2.654602    0.067882
     15          7           0        1.786590   -1.451210    0.890121
     16          6           0        3.035046   -0.938867    0.434390
     17          6           0        3.070450    0.340196   -0.169899
     18          7           0        1.947893    1.134508   -0.300574
     19          6           0        4.232572   -1.667657    0.510362
     20          6           0        5.419127   -1.140569    0.018893
     21          6           0        5.455487    0.124544   -0.589086
     22          6           0        4.274273    0.848952   -0.684517
     23          7           0       -3.753086    4.080719    0.142957
     24          7           0       -4.326153   -3.016500   -0.831405
     25          7           0        6.673086    0.648398   -1.090057
     26          6           0       -4.939343   -4.122839   -0.224131
     27          6           0       -6.157141   -4.397479   -0.894359
     28          6           0       -6.285532   -3.418689   -1.954279
     29          6           0       -5.141852   -2.583604   -1.887131
     30          6           0       -3.888760    5.230656    0.936268
     31          6           0       -5.161622    5.806183    0.696474
     32          6           0       -5.826006    4.970124   -0.281384
     33          6           0       -4.933295    3.916057   -0.599000
     34          6           0        7.239853    1.882755   -0.743268
     35          6           0        8.471998    2.030226   -1.428786
     36          6           0        8.657424    0.834744   -2.224892
     37          6           0        7.531257    0.005733   -1.991124
     38          6           0       -7.247393   -3.192718   -2.944879
     39          6           0       -7.054820   -2.156895   -3.854258
     40          6           0       -5.903908   -1.354324   -3.788599
     41          6           0       -4.932209   -1.555335   -2.810184
     42          6           0       -4.529607   -4.865200    0.886663
     43          6           0       -5.350797   -5.910828    1.302992
     44          6           0       -6.552201   -6.209626    0.638717
     45          6           0       -6.962861   -5.454260   -0.455255
     46          6           0       -7.074423    5.032689   -0.910641
     47          6           0       -7.413910    4.057101   -1.842871
     48          6           0       -6.511467    3.028548   -2.159690
     49          6           0       -5.261285    2.946045   -1.550222
     50          6           0       -3.007430    5.773459    1.875400
     51          6           0       -3.409625    6.921951    2.554007
     52          6           0       -4.659500    7.515978    2.313715
     53          6           0       -5.540533    6.960161    1.391429
     54          6           0        9.653712    0.410555   -3.111496
     55          6           0        9.514373   -0.817689   -3.750954
     56          6           0        8.385003   -1.620326   -3.518475
     57          6           0        7.378342   -1.221798   -2.641612
     58          6           0        6.772591    2.857384    0.142138
     59          6           0        7.552365    3.997949    0.318803
     60          6           0        8.769945    4.166946   -0.361891
     61          6           0        9.236132    3.185931   -1.231511
     62          8           0        0.456797   -3.007993    2.703379
     63         15           0        1.766453   -2.762394    2.075193
     64          8           0        2.985095   -2.463620    3.063416
     65          8           0        2.346249   -3.945139    1.158050
     66          6           0        2.785176   -1.808420    4.364481
     67          6           0        3.819981   -0.713385    4.516053
     68          6           0        2.649754   -5.238545    1.762807
     69          6           0        1.712174   -6.293364    1.206709
     70          1           0       -3.764647    1.457895    0.416188
     71          1           0        0.767873    3.344233   -0.228908
     72          1           0       -1.222502    4.844897   -0.242071
     73          1           0       -3.886876   -0.459930   -0.362880
     74          1           0       -1.984984   -4.284769   -0.585508
     75          1           0        0.138066   -3.275063    0.091644
     76          1           0        4.250529   -2.651147    0.955670
     77          1           0        6.334351   -1.714981    0.111966
     78          1           0        4.240498    1.820728   -1.162897
     79          1           0       -8.129096   -3.824123   -3.006577
     80          1           0       -7.794008   -1.971886   -4.627204
     81          1           0       -5.760029   -0.564168   -4.520149
     82          1           0       -4.037067   -0.944270   -2.781597
     83          1           0       -3.612056   -4.633406    1.414765
     84          1           0       -5.055283   -6.503272    2.163848
     85          1           0       -7.168050   -7.032199    0.988712
     86          1           0       -7.899089   -5.676282   -0.959232
     87          1           0       -7.767296    5.835198   -0.674527
     88          1           0       -8.381471    4.091404   -2.334093
     89          1           0       -6.789460    2.277431   -2.893161
     90          1           0       -4.568400    2.155487   -1.814887
     91          1           0       -2.047409    5.314053    2.081401
     92          1           0       -2.740214    7.361355    3.287503
     93          1           0       -4.941709    8.410917    2.859549
     94          1           0       -6.512994    7.411416    1.216640
     95          1           0       10.522311    1.035034   -3.299398
     96          1           0       10.281444   -1.157841   -4.439785
     97          1           0        8.290072   -2.571083   -4.034920
     98          1           0        6.503758   -1.841777   -2.477745
     99          1           0        5.837937    2.732345    0.677229
    100          1           0        7.209279    4.770692    1.000434
    101          1           0        9.352148    5.069125   -0.202870
    102          1           0       10.182265    3.312590   -1.750230
    103          1           0        1.768272   -1.417841    4.416646
    104          1           0        2.907574   -2.593285    5.115607
    105          1           0        3.728754   -0.267696    5.511866
    106          1           0        4.834735   -1.106946    4.406301
    107          1           0        3.660184    0.072792    3.773798
    108          1           0        3.692937   -5.445298    1.511683
    109          1           0        2.565547   -5.168749    2.851559
    110          1           0        1.975095   -7.275374    1.613805
    111          1           0        0.679038   -6.069144    1.483969
    112          1           0        1.785258   -6.342349    0.116511
    113         17           0        0.293122    0.229499    2.765946
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0352622           0.0181389           0.0142079
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10687.0260746189 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.67D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999998   -0.001839   -0.000673    0.000242 Ang=  -0.23 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48529409     A.U. after   13 cycles
            NFock= 13  Conv=0.34D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000274919    0.000000397    0.000107270
      2        6          -0.000026206    0.000187906    0.000134361
      3        6          -0.000110458   -0.000891756   -0.000027570
      4        6          -0.000213966    0.001008341   -0.001356448
      5        6           0.000395820   -0.000492332   -0.000102149
      6        6          -0.000477316    0.000232533    0.000108882
      7        6          -0.000199281    0.000539595    0.000006877
      8        6           0.001319684    0.001816418    0.003432178
      9        6           0.000838190    0.000276430   -0.003801771
     10        6           0.001090301   -0.001765629   -0.000723559
     11        6           0.000158166   -0.000111892   -0.000190409
     12        6          -0.000194620    0.000149331    0.000144950
     13        6           0.000030109    0.000132818   -0.000321509
     14        6           0.000525483   -0.000427319    0.000374462
     15        7          -0.004267226    0.001243593    0.002339682
     16        6           0.000299755    0.000628590    0.000299859
     17        6           0.000811322   -0.001069667    0.000123455
     18        7          -0.001234360    0.001083436    0.000332301
     19        6          -0.000187064   -0.000779725   -0.000496335
     20        6           0.000602362    0.000028010    0.000120122
     21        6          -0.000384587   -0.000144092   -0.000006501
     22        6          -0.000778302   -0.000151125    0.000048412
     23        7          -0.000371702    0.000323362   -0.000059669
     24        7          -0.000084288   -0.000533821   -0.000101054
     25        7           0.000434255    0.000150366    0.000234137
     26        6           0.000289903    0.000243030    0.000058332
     27        6          -0.000075263   -0.000001546    0.000049280
     28        6          -0.000064103    0.000146393    0.000140674
     29        6           0.000232735   -0.000164387    0.000211951
     30        6          -0.000060840   -0.000160820   -0.000039624
     31        6           0.000002209   -0.000139639    0.000193300
     32        6          -0.000079554    0.000157001   -0.000068486
     33        6           0.000395158    0.000160542   -0.000054422
     34        6          -0.000200831   -0.000453093   -0.000273488
     35        6           0.000140643   -0.000099223    0.000188852
     36        6          -0.000083313    0.000228988   -0.000119017
     37        6          -0.000248590   -0.000024051   -0.000080031
     38        6          -0.000120470   -0.000081396   -0.000194259
     39        6           0.000010482   -0.000131930    0.000015420
     40        6           0.000036129    0.000379494   -0.000213972
     41        6           0.000100673   -0.000261695   -0.000220932
     42        6          -0.000241051   -0.000119078   -0.000229959
     43        6           0.000053893   -0.000160440    0.000027793
     44        6          -0.000107112    0.000043942    0.000052044
     45        6          -0.000089630    0.000104699   -0.000147508
     46        6           0.000033897   -0.000006968    0.000146487
     47        6          -0.000158591   -0.000036064   -0.000177909
     48        6           0.000118487   -0.000079444   -0.000069081
     49        6           0.000025476   -0.000170763   -0.000010381
     50        6           0.000072610   -0.000083222   -0.000083972
     51        6           0.000270555   -0.000114771   -0.000088346
     52        6          -0.000057239    0.000087183    0.000122018
     53        6          -0.000126510    0.000069498   -0.000067054
     54        6           0.000012317   -0.000108062    0.000144879
     55        6           0.000213399    0.000151556   -0.000016139
     56        6          -0.000021662   -0.000135753   -0.000035470
     57        6           0.000012248   -0.000074203    0.000082190
     58        6          -0.000043840   -0.000122085   -0.000068370
     59        6           0.000033552    0.000227748    0.000191389
     60        6           0.000015867   -0.000114132    0.000127862
     61        6           0.000150247    0.000208929   -0.000357001
     62        8          -0.000408033    0.000512245    0.001063839
     63       15          -0.003888550   -0.001111973    0.001271478
     64        8           0.001082006    0.000556635    0.001089465
     65        8           0.002866917    0.001759482   -0.002096033
     66        6           0.000497787   -0.000433302   -0.000654323
     67        6          -0.000268561    0.000394322    0.000240421
     68        6          -0.001428468   -0.000525655    0.000664591
     69        6           0.000238544    0.000132284    0.000009142
     70        1           0.000309759    0.000176670   -0.000045128
     71        1           0.000008975    0.000142336   -0.000045345
     72        1          -0.000045635   -0.000042245    0.000048437
     73        1           0.000236343   -0.000107008   -0.000114132
     74        1          -0.000090348   -0.000018061    0.000089224
     75        1          -0.000260383   -0.000258492    0.000049499
     76        1           0.000087925    0.000974376   -0.000598553
     77        1           0.000010588    0.000143278   -0.000100813
     78        1           0.000365244    0.000055628   -0.000006927
     79        1          -0.000034959    0.000078501   -0.000004794
     80        1          -0.000078548    0.000002158   -0.000057909
     81        1          -0.000075926   -0.000113468    0.000144910
     82        1          -0.000118399    0.000087856    0.000063659
     83        1           0.000314234    0.000182864    0.000147867
     84        1           0.000068203    0.000071170   -0.000037193
     85        1           0.000002285   -0.000022628    0.000018207
     86        1           0.000000388   -0.000049346    0.000002097
     87        1          -0.000015066   -0.000001387   -0.000018050
     88        1           0.000043336    0.000023678    0.000069705
     89        1           0.000020957    0.000033036    0.000057168
     90        1          -0.000034721    0.000036165    0.000054706
     91        1           0.000003159    0.000001056   -0.000020083
     92        1          -0.000043559    0.000038254    0.000041861
     93        1           0.000007550    0.000039532   -0.000048525
     94        1          -0.000021076   -0.000045828   -0.000002646
     95        1           0.000018970    0.000026688   -0.000106706
     96        1          -0.000038102   -0.000036350    0.000014222
     97        1          -0.000060392    0.000058203    0.000026154
     98        1           0.000053093    0.000056619   -0.000041866
     99        1           0.000010301    0.000018276    0.000018470
    100        1           0.000020775    0.000025208   -0.000050675
    101        1           0.000036766    0.000075135    0.000020154
    102        1          -0.000071013    0.000038884    0.000085191
    103        1          -0.000106595   -0.000147452    0.000123617
    104        1           0.000101347   -0.000212695   -0.000033462
    105        1           0.000053199    0.000133915    0.000065464
    106        1          -0.000272325   -0.000043552   -0.000076414
    107        1           0.000158297   -0.000126030    0.000103883
    108        1           0.000349048   -0.000271669   -0.000066104
    109        1           0.000377328   -0.000013153   -0.000402347
    110        1           0.000068668    0.000132906   -0.000001928
    111        1          -0.000128461    0.000018002   -0.000124164
    112        1          -0.000095100    0.000075048    0.000181178
    113       17           0.001479359   -0.003320128   -0.000767513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004267226 RMS     0.000636339

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008311686 RMS     0.000804844
 Search for a local minimum.
 Step number  25 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   22   23   24   25
 DE=  2.52D-05 DEPred=-9.30D-04 R=-2.72D-02
 Trust test=-2.72D-02 RLast= 4.24D-01 DXMaxT set to 1.28D+00
 ITU= -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1
 ITU=  0  0  0  1  0
     Eigenvalues ---    0.00225   0.00400   0.00755   0.00962   0.01250
     Eigenvalues ---    0.01271   0.01359   0.01811   0.02134   0.02438
     Eigenvalues ---    0.02486   0.02540   0.02554   0.02583   0.02599
     Eigenvalues ---    0.02610   0.02635   0.02652   0.02681   0.02687
     Eigenvalues ---    0.02698   0.02703   0.02714   0.02718   0.02748
     Eigenvalues ---    0.02755   0.02770   0.02772   0.02795   0.02802
     Eigenvalues ---    0.02807   0.02810   0.02811   0.02817   0.02825
     Eigenvalues ---    0.02830   0.02850   0.02862   0.02871   0.02873
     Eigenvalues ---    0.02876   0.02884   0.02892   0.02899   0.02900
     Eigenvalues ---    0.02905   0.02908   0.02913   0.02917   0.02918
     Eigenvalues ---    0.02927   0.02933   0.02944   0.02945   0.02949
     Eigenvalues ---    0.02950   0.02952   0.02954   0.02958   0.02961
     Eigenvalues ---    0.02964   0.02966   0.02970   0.02973   0.02976
     Eigenvalues ---    0.02989   0.02990   0.02992   0.02999   0.03004
     Eigenvalues ---    0.03019   0.03024   0.03030   0.03046   0.03059
     Eigenvalues ---    0.03059   0.03066   0.03079   0.03089   0.03095
     Eigenvalues ---    0.03103   0.03117   0.03129   0.03133   0.03141
     Eigenvalues ---    0.03164   0.03173   0.03175   0.03183   0.03225
     Eigenvalues ---    0.03240   0.03251   0.03267   0.03278   0.03339
     Eigenvalues ---    0.03431   0.03534   0.03768   0.05000   0.05302
     Eigenvalues ---    0.05480   0.05740   0.05761   0.05877   0.05908
     Eigenvalues ---    0.06079   0.06165   0.07183   0.08319   0.11301
     Eigenvalues ---    0.11577   0.11754   0.13152   0.13703   0.14199
     Eigenvalues ---    0.14943   0.15888   0.15955   0.15974   0.15982
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16006   0.16009   0.16015
     Eigenvalues ---    0.16023   0.16067   0.16112   0.16186   0.18191
     Eigenvalues ---    0.19766   0.20455   0.21343   0.21937   0.21997
     Eigenvalues ---    0.21998   0.21999   0.22001   0.22002   0.22051
     Eigenvalues ---    0.22326   0.22443   0.22489   0.22528   0.22598
     Eigenvalues ---    0.22606   0.22608   0.22620   0.22658   0.22684
     Eigenvalues ---    0.23010   0.23447   0.23473   0.23701   0.23862
     Eigenvalues ---    0.24323   0.24391   0.24470   0.24485   0.24520
     Eigenvalues ---    0.24525   0.24549   0.24581   0.24733   0.24850
     Eigenvalues ---    0.24917   0.24967   0.24973   0.24977   0.24981
     Eigenvalues ---    0.24985   0.24988   0.24993   0.25012   0.25040
     Eigenvalues ---    0.25185   0.25768   0.25909   0.26514   0.26990
     Eigenvalues ---    0.27204   0.28000   0.28743   0.28843   0.29056
     Eigenvalues ---    0.29317   0.29337   0.29542   0.29680   0.30186
     Eigenvalues ---    0.30485   0.30652   0.30707   0.30846   0.30941
     Eigenvalues ---    0.31132   0.31186   0.31266   0.31375   0.31453
     Eigenvalues ---    0.31504   0.31689   0.32135   0.32233   0.32516
     Eigenvalues ---    0.32839   0.33140   0.33461   0.33965   0.34050
     Eigenvalues ---    0.34188   0.34230   0.34497   0.34670   0.34937
     Eigenvalues ---    0.35150   0.35268   0.35497   0.35590   0.36262
     Eigenvalues ---    0.36397   0.36780   0.37130   0.37309   0.39038
     Eigenvalues ---    0.39677   0.41373   0.41548   0.41989   0.42094
     Eigenvalues ---    0.42743   0.43425   0.43453   0.44850   0.45375
     Eigenvalues ---    0.46661   0.47094   0.47102   0.47177   0.47630
     Eigenvalues ---    0.47794   0.49391   0.49975   0.50074   0.50438
     Eigenvalues ---    0.50592   0.51012   0.51627   0.52034   0.52065
     Eigenvalues ---    0.52252   0.52461   0.52734   0.53123   0.53216
     Eigenvalues ---    0.53362   0.53798   0.54293   0.54347   0.55025
     Eigenvalues ---    0.55126   0.55355   0.55619   0.55691   0.56001
     Eigenvalues ---    0.56149   0.56189   0.56455   0.56524   0.56678
     Eigenvalues ---    0.56927   0.57121   0.57196   0.57904   0.58226
     Eigenvalues ---    0.58252   0.58287   0.58322   0.58508   0.58617
     Eigenvalues ---    0.58826   0.58934   0.59411   0.59706   0.59808
     Eigenvalues ---    0.60060   0.60579   0.60878   0.61188   0.61909
     Eigenvalues ---    0.63252   0.63553   0.63846   0.64747   0.65182
     Eigenvalues ---    0.65926   0.66770   0.67807   0.68880   0.72080
     Eigenvalues ---    0.73139   0.74493   0.74874   0.80420   0.81239
     Eigenvalues ---    0.85528   1.01130   3.94683
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    25   24
 RFO step:  Lambda=-1.02314159D-03.
 DidBck=T Rises=T En-DIIS coefs:    0.49579    0.50421
 Iteration  1 RMS(Cart)=  0.04441990 RMS(Int)=  0.00077654
 Iteration  2 RMS(Cart)=  0.00213185 RMS(Int)=  0.00002554
 Iteration  3 RMS(Cart)=  0.00000486 RMS(Int)=  0.00002546
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002546
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63904   0.00011   0.00112  -0.00057   0.00054   2.63959
    R2        2.65536  -0.00034  -0.00047   0.00012  -0.00035   2.65501
    R3        2.67489   0.00003  -0.00121   0.00103  -0.00019   2.67470
    R4        2.64628   0.00009  -0.00114   0.00071  -0.00042   2.64585
    R5        2.04733  -0.00036  -0.00059   0.00012  -0.00048   2.04685
    R6        2.66466   0.00004   0.00015  -0.00051  -0.00032   2.66434
    R7        2.78771  -0.00006   0.00135  -0.00121   0.00016   2.78788
    R8        2.64835  -0.00014  -0.00064   0.00047  -0.00017   2.64818
    R9        2.77894  -0.00005   0.00020   0.00015   0.00036   2.77930
   R10        2.61979   0.00024   0.00067  -0.00015   0.00052   2.62031
   R11        2.04786   0.00008   0.00004   0.00012   0.00016   2.04802
   R12        2.04898  -0.00004  -0.00029   0.00022  -0.00007   2.04891
   R13        2.67841   0.00034  -0.00102   0.00040  -0.00064   2.67778
   R14        2.64508   0.00023  -0.00024   0.00016  -0.00008   2.64500
   R15        2.82812  -0.00267   0.00722  -0.00275   0.00444   2.83256
   R16        2.64793   0.00053  -0.00164   0.00090  -0.00074   2.64719
   R17        2.83247   0.00004   0.00648  -0.00147   0.00493   2.83740
   R18        2.68490  -0.00096   0.00503  -0.00096   0.00401   2.68891
   R19        2.43846  -0.00134  -0.00287  -0.00003  -0.00288   2.43557
   R20        2.63762   0.00014   0.00033  -0.00022   0.00011   2.63773
   R21        2.04629  -0.00025  -0.00027   0.00007  -0.00019   2.04609
   R22        2.64635  -0.00015  -0.00192   0.00061  -0.00130   2.64506
   R23        2.67311   0.00020   0.00079   0.00011   0.00090   2.67401
   R24        2.62163  -0.00006   0.00179  -0.00053   0.00126   2.62290
   R25        2.04854  -0.00002   0.00008   0.00004   0.00012   2.04867
   R26        2.04223  -0.00011  -0.00051  -0.00011  -0.00062   2.04161
   R27        2.69167   0.00179   0.00187   0.00110   0.00295   2.69462
   R28        3.34006   0.00241  -0.00956   0.00521  -0.00436   3.33571
   R29        2.67409  -0.00054  -0.00137  -0.00018  -0.00151   2.67259
   R30        2.65301   0.00059   0.00020  -0.00040  -0.00021   2.65280
   R31        2.61038  -0.00047   0.00168   0.00067   0.00242   2.61280
   R32        2.65428  -0.00021  -0.00089  -0.00017  -0.00106   2.65321
   R33        2.62344   0.00036   0.00089   0.00031   0.00120   2.62464
   R34        2.04044  -0.00109  -0.00066  -0.00067  -0.00133   2.03911
   R35        2.65335  -0.00044  -0.00078  -0.00065  -0.00143   2.65192
   R36        2.04950  -0.00005  -0.00018   0.00007  -0.00011   2.04939
   R37        2.62471  -0.00022   0.00064  -0.00002   0.00062   2.62532
   R38        2.67778   0.00036  -0.00016   0.00107   0.00091   2.67869
   R39        2.04784  -0.00000  -0.00019   0.00017  -0.00002   2.04782
   R40        2.65243  -0.00032   0.00003  -0.00012  -0.00009   2.65234
   R41        2.65270  -0.00038   0.00076  -0.00075   0.00002   2.65271
   R42        2.65153  -0.00034  -0.00112   0.00031  -0.00081   2.65072
   R43        2.65055   0.00009  -0.00066   0.00015  -0.00051   2.65005
   R44        2.64907  -0.00016   0.00023  -0.00092  -0.00069   2.64838
   R45        2.64656   0.00003  -0.00003  -0.00027  -0.00030   2.64626
   R46        2.67759   0.00014   0.00016   0.00017   0.00033   2.67792
   R47        2.64078  -0.00010  -0.00022   0.00011  -0.00012   2.64067
   R48        2.73713   0.00003  -0.00035   0.00021  -0.00013   2.73700
   R49        2.64480  -0.00000  -0.00010   0.00009  -0.00001   2.64478
   R50        2.67907   0.00007   0.00016  -0.00001   0.00015   2.67922
   R51        2.64395   0.00025   0.00030   0.00007   0.00037   2.64432
   R52        2.64110   0.00016   0.00018   0.00013   0.00031   2.64141
   R53        2.67842  -0.00001  -0.00043   0.00032  -0.00011   2.67831
   R54        2.64112  -0.00007  -0.00010   0.00019   0.00009   2.64122
   R55        2.73626   0.00011  -0.00018   0.00024   0.00006   2.73632
   R56        2.64440   0.00005  -0.00011   0.00014   0.00003   2.64443
   R57        2.67840   0.00009  -0.00016   0.00024   0.00007   2.67847
   R58        2.64455   0.00001  -0.00012   0.00007  -0.00005   2.64450
   R59        2.64111   0.00002   0.00010  -0.00002   0.00008   2.64119
   R60        2.67906   0.00014  -0.00018   0.00044   0.00026   2.67932
   R61        2.64033   0.00012   0.00011   0.00012   0.00023   2.64056
   R62        2.73674  -0.00005  -0.00045   0.00018  -0.00027   2.73647
   R63        2.64459   0.00023   0.00023  -0.00000   0.00022   2.64481
   R64        2.67925   0.00019   0.00006   0.00025   0.00031   2.67957
   R65        2.64467   0.00006  -0.00009   0.00020   0.00012   2.64478
   R66        2.64112  -0.00001   0.00003   0.00015   0.00017   2.64130
   R67        2.63004  -0.00003  -0.00040   0.00022  -0.00018   2.62986
   R68        2.05266  -0.00003  -0.00007   0.00005  -0.00002   2.05264
   R69        2.65439   0.00010   0.00019   0.00008   0.00026   2.65466
   R70        2.05109   0.00010   0.00015   0.00009   0.00023   2.05132
   R71        2.63337   0.00016   0.00009   0.00001   0.00009   2.63346
   R72        2.05295  -0.00018  -0.00007  -0.00009  -0.00016   2.05280
   R73        2.04885  -0.00003  -0.00020   0.00018  -0.00002   2.04882
   R74        2.63278   0.00003  -0.00017   0.00019   0.00002   2.63280
   R75        2.04800   0.00038   0.00097  -0.00002   0.00096   2.04895
   R76        2.65499   0.00014   0.00016  -0.00001   0.00015   2.65514
   R77        2.05224  -0.00004  -0.00008   0.00006  -0.00002   2.05222
   R78        2.62936   0.00013  -0.00009   0.00020   0.00011   2.62947
   R79        2.05137   0.00002   0.00004   0.00002   0.00006   2.05143
   R80        2.05260   0.00001  -0.00000   0.00004   0.00003   2.05263
   R81        2.62942   0.00016  -0.00001   0.00020   0.00019   2.62961
   R82        2.05263   0.00000   0.00033  -0.00011   0.00022   2.05285
   R83        2.65417   0.00012  -0.00009   0.00008  -0.00001   2.65416
   R84        2.05159  -0.00007  -0.00013   0.00005  -0.00007   2.05152
   R85        2.63291  -0.00005  -0.00025   0.00017  -0.00008   2.63283
   R86        2.05228  -0.00007  -0.00013   0.00009  -0.00005   2.05223
   R87        2.04852  -0.00007  -0.00051   0.00033  -0.00018   2.04834
   R88        2.63297  -0.00003  -0.00006   0.00003  -0.00002   2.63294
   R89        2.04853   0.00000  -0.00031   0.00027  -0.00004   2.04849
   R90        2.65424   0.00023  -0.00005   0.00016   0.00011   2.65435
   R91        2.05208   0.00002  -0.00002   0.00006   0.00004   2.05212
   R92        2.62921   0.00017   0.00001   0.00010   0.00010   2.62931
   R93        2.05146  -0.00000  -0.00002   0.00001  -0.00001   2.05144
   R94        2.05265   0.00001  -0.00004   0.00004   0.00000   2.05265
   R95        2.62998  -0.00003  -0.00025   0.00010  -0.00016   2.62983
   R96        2.05255   0.00005   0.00009   0.00007   0.00017   2.05271
   R97        2.65488   0.00012   0.00001   0.00014   0.00015   2.65503
   R98        2.05154  -0.00003  -0.00007   0.00007  -0.00000   2.05154
   R99        2.63282   0.00002  -0.00006  -0.00000  -0.00007   2.63275
   R100       2.05248  -0.00006  -0.00007   0.00004  -0.00003   2.05244
   R101       2.04939  -0.00008  -0.00037   0.00019  -0.00017   2.04922
   R102       2.63218   0.00026   0.00029  -0.00001   0.00028   2.63247
   R103       2.04888  -0.00000  -0.00019   0.00015  -0.00004   2.04884
   R104       2.65532   0.00002  -0.00021   0.00017  -0.00004   2.65528
   R105       2.05230  -0.00003  -0.00008   0.00004  -0.00003   2.05227
   R106       2.62934   0.00009  -0.00003   0.00011   0.00008   2.62943
   R107       2.05118   0.00009   0.00018  -0.00004   0.00014   2.05132
   R108       2.05301  -0.00009  -0.00018   0.00008  -0.00010   2.05291
   R109       2.78383   0.00067   0.00057   0.00022   0.00079   2.78461
   R110       3.01821   0.00146   0.00564  -0.00081   0.00483   3.02303
   R111       3.03311   0.00128   0.00387   0.00012   0.00399   3.03710
   R112       2.77862  -0.00245   0.00029  -0.00423  -0.00394   2.77468
   R113       2.75845   0.00028   0.00187   0.00027   0.00214   2.76059
   R114       2.86148   0.00013   0.00022   0.00001   0.00023   2.86171
   R115       2.06090  -0.00224   0.00031  -0.00111  -0.00080   2.06010
   R116       2.06593   0.00016  -0.00001   0.00055   0.00054   2.06648
   R117       2.06889   0.00010  -0.00003   0.00010   0.00006   2.06895
   R118       2.06721  -0.00024   0.00002  -0.00029  -0.00027   2.06694
   R119       2.06539  -0.00020  -0.00036   0.00021  -0.00014   2.06524
   R120       2.86650  -0.00033  -0.00122   0.00027  -0.00095   2.86555
   R121       2.06494   0.00037   0.00086  -0.00078   0.00008   2.06503
   R122       2.06780  -0.00041  -0.00071   0.00039  -0.00033   2.06747
   R123       2.06940  -0.00009  -0.00008   0.00009   0.00001   2.06941
   R124       2.06536   0.00008   0.00033  -0.00027   0.00006   2.06541
   R125       2.06687  -0.00018  -0.00011   0.00005  -0.00006   2.06681
   R126       5.21462  -0.00247  -0.01635   0.00487  -0.01148   5.20314
    A1        2.08861   0.00013  -0.00110   0.00066  -0.00043   2.08818
    A2        2.09452   0.00005   0.00036  -0.00013   0.00023   2.09475
    A3        2.10004  -0.00018   0.00073  -0.00053   0.00020   2.10024
    A4        2.10982   0.00020   0.00105  -0.00026   0.00080   2.11061
    A5        2.06942  -0.00011  -0.00004  -0.00013  -0.00018   2.06924
    A6        2.10365  -0.00010  -0.00104   0.00039  -0.00065   2.10300
    A7        2.07704  -0.00050  -0.00020  -0.00035  -0.00056   2.07648
    A8        2.13961   0.00060   0.00182  -0.00056   0.00122   2.14083
    A9        2.06300  -0.00008  -0.00198   0.00121  -0.00070   2.06231
   A10        2.08972   0.00041  -0.00029   0.00044   0.00014   2.08986
   A11        2.09689  -0.00041  -0.00067  -0.00000  -0.00063   2.09626
   A12        2.09631  -0.00000   0.00088  -0.00038   0.00048   2.09678
   A13        2.10816  -0.00009   0.00049  -0.00017   0.00032   2.10849
   A14        2.06623   0.00017   0.00061  -0.00018   0.00042   2.06665
   A15        2.10878  -0.00008  -0.00109   0.00035  -0.00074   2.10804
   A16        2.09069  -0.00014   0.00009  -0.00041  -0.00032   2.09037
   A17        2.08858   0.00002   0.00067  -0.00017   0.00050   2.08908
   A18        2.10390   0.00013  -0.00076   0.00058  -0.00018   2.10372
   A19        2.09612  -0.00012  -0.00067   0.00014  -0.00049   2.09562
   A20        2.10339   0.00037  -0.00085   0.00037  -0.00046   2.10294
   A21        2.07809  -0.00026   0.00064  -0.00000   0.00063   2.07872
   A22        2.06856   0.00057   0.00036   0.00058   0.00093   2.06949
   A23        2.07147   0.00002  -0.00078  -0.00014  -0.00090   2.07057
   A24        2.13937  -0.00061  -0.00028  -0.00019  -0.00043   2.13894
   A25        1.95126   0.00022  -0.00973   0.00346  -0.00607   1.94519
   A26        2.06226  -0.00039  -0.00580   0.00040  -0.00506   2.05720
   A27        2.02339   0.00032  -0.00648   0.00194  -0.00437   2.01902
   A28        2.02724   0.00049  -0.00107   0.00024  -0.00083   2.02641
   A29        2.08851  -0.00178  -0.00232  -0.00043  -0.00267   2.08583
   A30        2.16574   0.00129   0.00276   0.00029   0.00303   2.16877
   A31        2.11798   0.00021   0.00047   0.00004   0.00050   2.11848
   A32        2.09717  -0.00008  -0.00056   0.00043  -0.00013   2.09704
   A33        2.06757  -0.00013   0.00004  -0.00050  -0.00046   2.06711
   A34        2.08194  -0.00005  -0.00119   0.00026  -0.00094   2.08100
   A35        2.09666   0.00053   0.00145  -0.00040   0.00104   2.09771
   A36        2.10377  -0.00048  -0.00022   0.00010  -0.00013   2.10365
   A37        2.09060   0.00016   0.00063  -0.00020   0.00043   2.09103
   A38        2.09209  -0.00016   0.00011  -0.00038  -0.00026   2.09183
   A39        2.10002   0.00000  -0.00074   0.00057  -0.00017   2.09986
   A40        2.12095  -0.00007   0.00025   0.00020   0.00043   2.12138
   A41        2.09675   0.00036   0.00273  -0.00120   0.00153   2.09828
   A42        2.06406  -0.00030  -0.00302   0.00089  -0.00213   2.06193
   A43        2.08037  -0.00169   0.00276  -0.00202   0.00075   2.08112
   A44        2.05220   0.00492   0.00715  -0.00065   0.00671   2.05891
   A45        2.08443  -0.00267  -0.00193  -0.00087  -0.00254   2.08189
   A46        2.07566   0.00097   0.00003   0.00088   0.00088   2.07654
   A47        2.14552   0.00000   0.00264  -0.00175   0.00092   2.14645
   A48        2.06121  -0.00100  -0.00253   0.00067  -0.00185   2.05936
   A49        2.14102   0.00001  -0.00046   0.00015  -0.00026   2.14076
   A50        2.10053   0.00064   0.00182  -0.00033   0.00146   2.10199
   A51        2.04155  -0.00065  -0.00142   0.00016  -0.00128   2.04027
   A52        2.07889  -0.00091   0.00076  -0.00106  -0.00026   2.07863
   A53        2.10924   0.00056   0.00134  -0.00015   0.00118   2.11043
   A54        2.10521   0.00002   0.00028  -0.00062  -0.00034   2.10487
   A55        2.06873  -0.00058  -0.00163   0.00078  -0.00085   2.06788
   A56        2.11474  -0.00021   0.00047  -0.00075  -0.00029   2.11446
   A57        2.08265   0.00027  -0.00111   0.00113   0.00002   2.08267
   A58        2.08577  -0.00006   0.00064  -0.00038   0.00027   2.08604
   A59        2.06879  -0.00017  -0.00195   0.00110  -0.00085   2.06793
   A60        2.10416   0.00006   0.00121  -0.00035   0.00086   2.10502
   A61        2.11024   0.00011   0.00074  -0.00074  -0.00001   2.11023
   A62        2.11157   0.00017   0.00082  -0.00052   0.00030   2.11188
   A63        2.04861   0.00028   0.00009   0.00096   0.00104   2.04965
   A64        2.12297  -0.00046  -0.00091  -0.00045  -0.00137   2.12161
   A65        2.19587  -0.00007   0.00039  -0.00027   0.00011   2.19599
   A66        2.19756  -0.00008   0.00021  -0.00021   0.00001   2.19757
   A67        1.88975   0.00015  -0.00060   0.00048  -0.00012   1.88963
   A68        2.19204  -0.00035  -0.00101   0.00055  -0.00045   2.19160
   A69        2.19993   0.00034   0.00100  -0.00054   0.00047   2.20040
   A70        1.89122   0.00002  -0.00002  -0.00001  -0.00003   1.89119
   A71        2.19625   0.00001  -0.00012   0.00001  -0.00010   2.19616
   A72        2.19487   0.00006   0.00051  -0.00028   0.00025   2.19512
   A73        1.89176  -0.00007  -0.00059   0.00041  -0.00017   1.89159
   A74        1.90044   0.00005   0.00029  -0.00009   0.00021   1.90065
   A75        2.25848  -0.00012  -0.00014   0.00009  -0.00006   2.25842
   A76        2.12354   0.00007  -0.00017   0.00005  -0.00011   2.12342
   A77        1.86643   0.00000  -0.00022   0.00004  -0.00018   1.86625
   A78        2.08603  -0.00000   0.00017  -0.00009   0.00008   2.08611
   A79        2.33064  -0.00000   0.00005   0.00006   0.00011   2.33075
   A80        1.86699  -0.00011  -0.00025  -0.00000  -0.00025   1.86674
   A81        2.32979   0.00001  -0.00016   0.00019   0.00004   2.32982
   A82        2.08633   0.00010   0.00039  -0.00018   0.00021   2.08654
   A83        1.89970   0.00003   0.00019   0.00006   0.00025   1.89995
   A84        2.26133   0.00017   0.00069  -0.00039   0.00030   2.26164
   A85        2.12128  -0.00020  -0.00081   0.00028  -0.00053   2.12076
   A86        1.90060   0.00004   0.00051  -0.00034   0.00018   1.90078
   A87        2.26142  -0.00019   0.00003   0.00010   0.00013   2.26155
   A88        2.12032   0.00015  -0.00057   0.00026  -0.00031   2.12001
   A89        1.86697  -0.00010  -0.00009   0.00002  -0.00006   1.86690
   A90        2.08748  -0.00002   0.00060  -0.00028   0.00032   2.08780
   A91        2.32856   0.00011  -0.00047   0.00023  -0.00025   2.32831
   A92        1.86685  -0.00008   0.00011  -0.00016  -0.00005   1.86680
   A93        2.32839   0.00016  -0.00052   0.00050  -0.00001   2.32837
   A94        2.08790  -0.00007   0.00041  -0.00034   0.00007   2.08796
   A95        1.90061  -0.00000   0.00007  -0.00002   0.00005   1.90066
   A96        2.26329  -0.00009   0.00057  -0.00041   0.00016   2.26345
   A97        2.11866   0.00010  -0.00069   0.00050  -0.00019   2.11847
   A98        1.90008   0.00016   0.00040   0.00004   0.00044   1.90052
   A99        2.25981   0.00000   0.00038  -0.00019   0.00019   2.26001
   A100       2.12294  -0.00016  -0.00082   0.00019  -0.00063   2.12231
   A101       1.86630  -0.00011  -0.00011  -0.00023  -0.00034   1.86595
   A102       2.08553   0.00012   0.00060  -0.00019   0.00041   2.08594
   A103       2.33130  -0.00001  -0.00048   0.00042  -0.00006   2.33124
   A104       1.86537   0.00001   0.00001  -0.00004  -0.00003   1.86534
   A105       2.33174  -0.00001  -0.00026   0.00021  -0.00005   2.33169
   A106       2.08597   0.00000   0.00028  -0.00019   0.00009   2.08606
   A107       1.90126   0.00001   0.00029  -0.00017   0.00011   1.90138
   A108       2.25938   0.00004   0.00022   0.00003   0.00025   2.25963
   A109       2.12201  -0.00005  -0.00054   0.00018  -0.00036   2.12165
   A110       2.08025   0.00001   0.00010  -0.00004   0.00006   2.08031
   A111       2.09945   0.00006   0.00028  -0.00011   0.00017   2.09962
   A112       2.10346  -0.00007  -0.00038   0.00015  -0.00023   2.10323
   A113       2.10374  -0.00001  -0.00011   0.00011   0.00001   2.10375
   A114       2.09202  -0.00001  -0.00011   0.00006  -0.00005   2.09197
   A115       2.08738   0.00002   0.00022  -0.00017   0.00005   2.08742
   A116       2.11969  -0.00005  -0.00015  -0.00005  -0.00020   2.11949
   A117       2.08589  -0.00002  -0.00010   0.00002  -0.00008   2.08581
   A118       2.07757   0.00007   0.00025   0.00003   0.00028   2.07785
   A119       2.05471   0.00015   0.00060  -0.00015   0.00046   2.05517
   A120       2.11893  -0.00002   0.00007  -0.00017  -0.00010   2.11883
   A121       2.10938  -0.00013  -0.00066   0.00033  -0.00033   2.10905
   A122       2.05263  -0.00000   0.00014  -0.00000   0.00014   2.05277
   A123       2.11994  -0.00008  -0.00069   0.00020  -0.00048   2.11945
   A124       2.11057   0.00008   0.00055  -0.00020   0.00035   2.11091
   A125       2.12041  -0.00002  -0.00002  -0.00004  -0.00006   2.12035
   A126       2.07821  -0.00008  -0.00048   0.00020  -0.00028   2.07793
   A127       2.08456   0.00011   0.00050  -0.00016   0.00034   2.08490
   A128       2.10443   0.00003   0.00000   0.00003   0.00004   2.10446
   A129       2.08730  -0.00003  -0.00015   0.00003  -0.00011   2.08718
   A130       2.09143   0.00001   0.00015  -0.00007   0.00008   2.09151
   A131       2.07909  -0.00006  -0.00010   0.00003  -0.00007   2.07902
   A132       2.10016   0.00007   0.00031  -0.00010   0.00021   2.10037
   A133       2.10392  -0.00001  -0.00021   0.00007  -0.00014   2.10378
   A134       2.08010   0.00000   0.00005   0.00001   0.00006   2.08015
   A135       2.09941   0.00002   0.00013  -0.00003   0.00009   2.09950
   A136       2.10368  -0.00002  -0.00017   0.00002  -0.00015   2.10353
   A137       2.10344  -0.00000  -0.00027   0.00017  -0.00010   2.10335
   A138       2.09259  -0.00005  -0.00023   0.00006  -0.00017   2.09242
   A139       2.08714   0.00005   0.00050  -0.00023   0.00027   2.08741
   A140       2.11908  -0.00001   0.00003  -0.00004  -0.00001   2.11908
   A141       2.08789   0.00001   0.00042  -0.00018   0.00024   2.08814
   A142       2.07620  -0.00001  -0.00046   0.00023  -0.00024   2.07597
   A143       2.05692  -0.00002   0.00044  -0.00025   0.00018   2.05710
   A144       2.12037  -0.00002   0.00048  -0.00032   0.00016   2.12053
   A145       2.10588   0.00004  -0.00092   0.00057  -0.00034   2.10554
   A146       2.05486  -0.00006   0.00024  -0.00009   0.00015   2.05501
   A147       2.11947   0.00001   0.00039  -0.00021   0.00018   2.11964
   A148       2.10879   0.00004  -0.00063   0.00030  -0.00033   2.10846
   A149       2.12018  -0.00001   0.00012  -0.00006   0.00006   2.12024
   A150       2.07668   0.00007   0.00042  -0.00015   0.00027   2.07695
   A151       2.08631  -0.00006  -0.00054   0.00021  -0.00033   2.08599
   A152       2.10360   0.00001  -0.00028   0.00014  -0.00014   2.10346
   A153       2.08744   0.00001   0.00025  -0.00015   0.00010   2.08754
   A154       2.09211  -0.00002   0.00004   0.00001   0.00004   2.09215
   A155       2.07965  -0.00008  -0.00015   0.00007  -0.00009   2.07957
   A156       2.10029   0.00000  -0.00010  -0.00001  -0.00011   2.10017
   A157       2.10322   0.00008   0.00025  -0.00005   0.00020   2.10342
   A158       2.07980   0.00003   0.00012   0.00003   0.00015   2.07995
   A159       2.09975   0.00006   0.00035  -0.00017   0.00018   2.09992
   A160       2.10364  -0.00008  -0.00048   0.00015  -0.00033   2.10331
   A161       2.10442  -0.00003  -0.00024   0.00008  -0.00016   2.10425
   A162       2.09129   0.00006   0.00034  -0.00007   0.00028   2.09157
   A163       2.08746  -0.00003  -0.00011  -0.00001  -0.00012   2.08735
   A164       2.11947   0.00002   0.00007   0.00001   0.00008   2.11955
   A165       2.08482   0.00004   0.00026  -0.00016   0.00010   2.08492
   A166       2.07888  -0.00006  -0.00034   0.00016  -0.00018   2.07870
   A167       2.05455   0.00003   0.00027  -0.00007   0.00020   2.05475
   A168       2.11766   0.00000   0.00005  -0.00011  -0.00006   2.11760
   A169       2.11094  -0.00003  -0.00033   0.00019  -0.00014   2.11080
   A170       2.05369   0.00009   0.00053  -0.00011   0.00042   2.05412
   A171       2.11834  -0.00002   0.00006  -0.00028  -0.00022   2.11812
   A172       2.11115  -0.00007  -0.00060   0.00040  -0.00020   2.11095
   A173       2.12016  -0.00003  -0.00013  -0.00002  -0.00015   2.12001
   A174       2.07760   0.00006   0.00030  -0.00004   0.00026   2.07786
   A175       2.08543  -0.00003  -0.00017   0.00006  -0.00011   2.08532
   A176       2.10401   0.00003  -0.00004   0.00013   0.00009   2.10410
   A177       2.08722  -0.00002  -0.00002  -0.00002  -0.00005   2.08718
   A178       2.09194  -0.00001   0.00007  -0.00011  -0.00004   2.09190
   A179       2.07992  -0.00005  -0.00016   0.00001  -0.00014   2.07978
   A180       2.09959   0.00010   0.00046  -0.00010   0.00036   2.09995
   A181       2.10366  -0.00005  -0.00031   0.00010  -0.00022   2.10345
   A182       2.00393   0.00154   0.00290   0.00364   0.00651   2.01044
   A183       1.84148   0.00088   0.00655  -0.00136   0.00520   1.84667
   A184       1.73089  -0.00433  -0.00958   0.00219  -0.00741   1.72348
   A185       2.03272  -0.00104  -0.00626   0.00299  -0.00330   2.02942
   A186       2.02857   0.00221   0.01074  -0.00846   0.00228   2.03085
   A187       1.78828   0.00016  -0.00536   0.00094  -0.00445   1.78384
   A188       2.12598  -0.00831  -0.00981   0.00495  -0.00486   2.12112
   A189       2.08439  -0.00051  -0.01143  -0.00280  -0.01423   2.07016
   A190       1.89431   0.00127   0.00223   0.00179   0.00401   1.89832
   A191       1.90571  -0.00594  -0.00102  -0.00565  -0.00667   1.89904
   A192       1.84712   0.00182  -0.00101   0.00288   0.00186   1.84898
   A193       1.95351   0.00425  -0.00167   0.00098  -0.00069   1.95282
   A194       1.95400  -0.00089  -0.00013   0.00014   0.00000   1.95400
   A195       1.90567  -0.00083   0.00162  -0.00023   0.00139   1.90706
   A196       1.90551   0.00022   0.00195  -0.00031   0.00164   1.90715
   A197       1.94305  -0.00026  -0.00173  -0.00008  -0.00181   1.94124
   A198       1.93081   0.00012   0.00122   0.00008   0.00130   1.93211
   A199       1.89127   0.00004   0.00035  -0.00005   0.00031   1.89157
   A200       1.88884  -0.00010   0.00009  -0.00017  -0.00008   1.88875
   A201       1.90316  -0.00001  -0.00185   0.00052  -0.00133   1.90183
   A202       1.91321  -0.00040   0.00089  -0.00023   0.00067   1.91388
   A203       1.84516   0.00025  -0.00001  -0.00081  -0.00082   1.84434
   A204       1.91740   0.00019   0.00128   0.00023   0.00151   1.91891
   A205       1.95438  -0.00008  -0.00124   0.00135   0.00011   1.95450
   A206       1.94074   0.00021   0.00208  -0.00248  -0.00040   1.94033
   A207       1.89041  -0.00016  -0.00312   0.00206  -0.00106   1.88935
   A208       1.91654  -0.00015  -0.00014  -0.00009  -0.00023   1.91631
   A209       1.92689   0.00015   0.00266  -0.00300  -0.00034   1.92655
   A210       1.93399  -0.00004  -0.00186   0.00170  -0.00016   1.93383
   A211       1.89296   0.00006   0.00040  -0.00019   0.00021   1.89317
   A212       1.89056   0.00009   0.00027  -0.00004   0.00023   1.89079
   A213       1.90203  -0.00011  -0.00134   0.00165   0.00030   1.90233
   A214       2.32355  -0.00453   0.01449  -0.01884  -0.00435   2.31920
    D1        0.00013  -0.00004  -0.00084   0.00013  -0.00071  -0.00058
    D2        3.11562  -0.00008  -0.00213   0.00000  -0.00214   3.11348
    D3        3.13593  -0.00005  -0.00124   0.00022  -0.00102   3.13491
    D4       -0.03177  -0.00008  -0.00253   0.00009  -0.00245  -0.03422
    D5       -0.03819   0.00003   0.00042  -0.00074  -0.00031  -0.03850
    D6        3.10733   0.00004  -0.00082   0.00048  -0.00033   3.10700
    D7        3.10922   0.00003   0.00083  -0.00082  -0.00000   3.10922
    D8       -0.02845   0.00004  -0.00042   0.00039  -0.00002  -0.02847
    D9        2.26388   0.00003   0.01573  -0.01005   0.00568   2.26957
   D10       -0.88030   0.00004   0.01413  -0.00676   0.00737  -0.87293
   D11       -0.88354   0.00003   0.01532  -0.00996   0.00537  -0.87817
   D12        2.25546   0.00004   0.01372  -0.00667   0.00706   2.26252
   D13        0.05467  -0.00002   0.00029   0.00096   0.00124   0.05592
   D14       -2.99496  -0.00018   0.00487  -0.00306   0.00178  -2.99318
   D15       -3.06030   0.00002   0.00159   0.00109   0.00269  -3.05761
   D16        0.17325  -0.00015   0.00617  -0.00292   0.00322   0.17647
   D17       -0.07179   0.00007   0.00069  -0.00145  -0.00075  -0.07254
   D18        3.04497  -0.00004  -0.00257   0.00105  -0.00151   3.04346
   D19        2.98190   0.00026  -0.00348   0.00229  -0.00116   2.98074
   D20       -0.18453   0.00016  -0.00673   0.00480  -0.00192  -0.18645
   D21       -2.92969   0.00008   0.00636   0.00108   0.00744  -2.92225
   D22        0.32631   0.00019   0.01474  -0.00409   0.01065   0.33696
   D23        0.30316  -0.00007   0.01081  -0.00282   0.00796   0.31112
   D24       -2.72403   0.00005   0.01919  -0.00800   0.01117  -2.71285
   D25        0.03478  -0.00006  -0.00109   0.00087  -0.00023   0.03454
   D26       -3.11168  -0.00003   0.00028   0.00056   0.00083  -3.11084
   D27       -3.08199   0.00005   0.00220  -0.00164   0.00055  -3.08144
   D28        0.05474   0.00008   0.00356  -0.00195   0.00161   0.05636
   D29       -0.35007   0.00048  -0.00853   0.00027  -0.00821  -0.35828
   D30        2.85159   0.00045   0.00094  -0.00145  -0.00045   2.85114
   D31        2.76660   0.00038  -0.01182   0.00280  -0.00898   2.75762
   D32       -0.31493   0.00035  -0.00235   0.00108  -0.00122  -0.31615
   D33        0.02063   0.00002   0.00055   0.00024   0.00080   0.02143
   D34       -3.12492   0.00002   0.00180  -0.00099   0.00082  -3.12410
   D35       -3.11598  -0.00001  -0.00085   0.00056  -0.00030  -3.11628
   D36        0.02165  -0.00001   0.00040  -0.00068  -0.00028   0.02137
   D37        0.12973  -0.00036   0.00096  -0.00409  -0.00316   0.12657
   D38       -2.92087  -0.00004   0.00861  -0.00707   0.00153  -2.91934
   D39       -3.12462  -0.00043  -0.00741   0.00103  -0.00639  -3.13102
   D40        0.10796  -0.00011   0.00024  -0.00195  -0.00170   0.10626
   D41        2.97680  -0.00003  -0.00889   0.00702  -0.00186   2.97495
   D42       -0.13128   0.00000  -0.00695   0.00806   0.00112  -0.13016
   D43       -0.05155   0.00007  -0.00050   0.00189   0.00139  -0.05016
   D44        3.12355   0.00010   0.00144   0.00293   0.00437   3.12792
   D45       -0.63752   0.00091  -0.01253   0.00792  -0.00467  -0.64220
   D46       -3.05379   0.00057   0.01593  -0.00013   0.01590  -3.03789
   D47        2.40933   0.00061  -0.02052   0.01102  -0.00958   2.39975
   D48       -0.00694   0.00027   0.00793   0.00298   0.01100   0.00406
   D49       -0.08475   0.00007  -0.00041   0.00098   0.00056  -0.08419
   D50        2.99860   0.00003  -0.00139  -0.00138  -0.00278   2.99582
   D51       -3.13145   0.00034   0.00753  -0.00217   0.00538  -3.12608
   D52       -0.04810   0.00030   0.00655  -0.00453   0.00204  -0.04607
   D53        0.74234  -0.00080   0.01610  -0.00602   0.01013   0.75247
   D54       -2.46228  -0.00089   0.00590  -0.00424   0.00172  -2.46055
   D55       -3.10729  -0.00079  -0.01130   0.00112  -0.01024  -3.11754
   D56       -0.02872  -0.00087  -0.02150   0.00290  -0.01865  -0.04737
   D57        2.43745   0.00082  -0.01863   0.00498  -0.01367   2.42378
   D58       -1.08875   0.00177   0.00490  -0.00504  -0.00024  -1.08899
   D59        0.05033   0.00052   0.01237  -0.00396   0.00846   0.05878
   D60        2.80731   0.00147   0.03590  -0.01398   0.02189   2.82920
   D61        3.08574   0.00041   0.00373   0.00100   0.00470   3.09044
   D62        0.00925   0.00041   0.01420  -0.00085   0.01330   0.02255
   D63       -0.03128  -0.00001   0.00085  -0.00083   0.00002  -0.03126
   D64       -3.12984  -0.00004   0.00004   0.00046   0.00049  -3.12935
   D65        3.07736  -0.00004  -0.00107  -0.00184  -0.00290   3.07446
   D66       -0.02121  -0.00007  -0.00188  -0.00055  -0.00243  -0.02363
   D67        0.05639  -0.00001  -0.00101  -0.00019  -0.00120   0.05519
   D68       -3.05245  -0.00007  -0.00113  -0.00006  -0.00119  -3.05364
   D69       -3.12841   0.00005  -0.00016  -0.00149  -0.00164  -3.13005
   D70        0.04594  -0.00001  -0.00028  -0.00136  -0.00164   0.04430
   D71       -2.25058   0.00002   0.00057   0.00391   0.00447  -2.24611
   D72        0.89274   0.00002   0.00642  -0.00262   0.00381   0.89655
   D73        0.93458  -0.00003  -0.00023   0.00520   0.00497   0.93955
   D74       -2.20528  -0.00003   0.00562  -0.00132   0.00430  -2.20097
   D75        0.00216  -0.00002   0.00080   0.00011   0.00091   0.00307
   D76       -3.08224  -0.00000   0.00157   0.00249   0.00406  -3.07818
   D77        3.11084   0.00004   0.00094  -0.00004   0.00090   3.11174
   D78        0.02644   0.00006   0.00171   0.00234   0.00405   0.03049
   D79       -0.05501   0.00006   0.00162   0.00318   0.00483  -0.05018
   D80        3.13030   0.00072  -0.00269   0.00888   0.00624   3.13654
   D81       -2.80484  -0.00259  -0.02413   0.01335  -0.01084  -2.81568
   D82        0.38047  -0.00193  -0.02844   0.01905  -0.00943   0.37103
   D83        0.15381   0.00011   0.00506  -0.00079   0.00428   0.15809
   D84       -2.10874  -0.00038   0.00573  -0.00634  -0.00058  -2.10931
   D85        2.32855   0.00067   0.01313  -0.00773   0.00539   2.33395
   D86        2.90987   0.00129   0.02958  -0.01110   0.01847   2.92834
   D87        0.64733   0.00080   0.03026  -0.01664   0.01361   0.66094
   D88       -1.19857   0.00186   0.03765  -0.01804   0.01958  -1.17899
   D89        0.03576  -0.00050  -0.01036  -0.00096  -0.01132   0.02444
   D90       -3.09115   0.00011  -0.00681   0.00105  -0.00577  -3.09692
   D91        3.13576  -0.00110  -0.00616  -0.00644  -0.01259   3.12317
   D92        0.00885  -0.00049  -0.00260  -0.00444  -0.00704   0.00182
   D93        3.11002  -0.00005   0.00782  -0.00207   0.00574   3.11576
   D94       -0.03439  -0.00021   0.00556   0.00106   0.00661  -0.02778
   D95        0.01179   0.00056   0.00349   0.00358   0.00707   0.01887
   D96       -3.13262   0.00041   0.00123   0.00671   0.00795  -3.12467
   D97       -0.01258   0.00029   0.00233  -0.00018   0.00214  -0.01044
   D98        3.11480  -0.00029  -0.00108  -0.00212  -0.00320   3.11159
   D99       -0.02243   0.00013   0.00013   0.00245   0.00259  -0.01984
   D100       3.11093   0.00002  -0.00003   0.00055   0.00052   3.11144
   D101       3.13303   0.00070   0.00348   0.00434   0.00782   3.14085
   D102      -0.01680   0.00059   0.00332   0.00244   0.00575  -0.01105
   D103      -0.01956  -0.00026  -0.00196  -0.00068  -0.00264  -0.02220
   D104       3.11596  -0.00018  -0.00174  -0.00032  -0.00206   3.11390
   D105       3.12480  -0.00011   0.00025  -0.00374  -0.00349   3.12130
   D106      -0.02287  -0.00003   0.00047  -0.00339  -0.00292  -0.02579
   D107       0.00605  -0.00012  -0.00059  -0.00142  -0.00201   0.00404
   D108      -3.13815   0.00002  -0.00020   0.00078   0.00058  -3.13757
   D109      -3.12946  -0.00021  -0.00081  -0.00178  -0.00259  -3.13205
   D110       0.00952  -0.00006  -0.00042   0.00042   0.00000   0.00953
   D111       0.01483   0.00018   0.00146   0.00052   0.00198   0.01681
   D112      -3.11817   0.00029   0.00162   0.00250   0.00412  -3.11405
   D113      -3.12414   0.00004   0.00106  -0.00169  -0.00062  -3.12476
   D114       0.02604   0.00014   0.00123   0.00030   0.00152   0.02756
   D115      -2.17930  -0.00005  -0.00111   0.00267   0.00155  -2.17775
   D116       0.93295   0.00000  -0.00911   0.00971   0.00061   0.93356
   D117       0.95962   0.00009  -0.00072   0.00492   0.00420   0.96382
   D118      -2.21131   0.00015  -0.00871   0.01197   0.00326  -2.20805
   D119       3.13626   0.00004  -0.00009   0.00147   0.00138   3.13764
   D120      -0.04978   0.00007  -0.00101   0.00223   0.00123  -0.04856
   D121      -0.00313   0.00003   0.00128  -0.00134  -0.00006  -0.00319
   D122       3.09402   0.00006   0.00036  -0.00057  -0.00021   3.09380
   D123      -3.13548  -0.00003   0.00012  -0.00151  -0.00139  -3.13687
   D124      -0.03227   0.00003  -0.00121   0.00062  -0.00059  -0.03286
   D125       0.00391  -0.00003  -0.00125   0.00130   0.00005   0.00395
   D126       3.10711   0.00003  -0.00257   0.00342   0.00085   3.10796
   D127       3.14081  -0.00007   0.00205  -0.00396  -0.00190   3.13891
   D128       0.04022  -0.00007   0.00261  -0.00547  -0.00286   0.03735
   D129      -0.00226  -0.00006  -0.00293   0.00160  -0.00133  -0.00359
   D130      -3.10285  -0.00007  -0.00238   0.00008  -0.00230  -3.10515
   D131       3.14109   0.00006  -0.00216   0.00403   0.00188  -3.14021
   D132       0.04462   0.00003  -0.00395   0.00513   0.00118   0.04581
   D133       0.00098   0.00006   0.00287  -0.00156   0.00131   0.00229
   D134      -3.09549   0.00003   0.00108  -0.00046   0.00062  -3.09487
   D135       3.11620   0.00005  -0.00551   0.00497  -0.00054   3.11565
   D136       0.00331   0.00006  -0.00407   0.00336  -0.00071   0.00260
   D137      -0.00031  -0.00000   0.00131  -0.00105   0.00026  -0.00005
   D138      -3.11320   0.00001   0.00275  -0.00266   0.00009  -3.11311
   D139      -3.11705  -0.00005   0.00536  -0.00488   0.00048  -3.11657
   D140       0.05977  -0.00006   0.00631  -0.00604   0.00026   0.06004
   D141      -0.00052  -0.00000  -0.00146   0.00114  -0.00033  -0.00084
   D142      -3.10688  -0.00001  -0.00052  -0.00003  -0.00054  -3.10743
   D143       0.00261   0.00004   0.00185  -0.00101   0.00084   0.00345
   D144      -3.12691   0.00002   0.00178  -0.00173   0.00005  -3.12686
   D145       3.10698   0.00005   0.00135   0.00037   0.00171   3.10870
   D146      -0.02254   0.00003   0.00128  -0.00035   0.00093  -0.02161
   D147       3.11763  -0.00000  -0.00133   0.00163   0.00030   3.11793
   D148      -0.01328   0.00000  -0.00150   0.00149  -0.00000  -0.01328
   D149       0.02161  -0.00001  -0.00072  -0.00005  -0.00078   0.02084
   D150      -3.10929  -0.00000  -0.00089  -0.00019  -0.00108  -3.11037
   D151      -0.00197  -0.00001  -0.00009   0.00006  -0.00004  -0.00201
   D152       3.12530  -0.00004  -0.00144   0.00088  -0.00055   3.12474
   D153       3.12513   0.00002  -0.00001   0.00091   0.00090   3.12603
   D154      -0.03079  -0.00002  -0.00135   0.00174   0.00039  -0.03040
   D155       0.00648  -0.00001  -0.00033   0.00016  -0.00018   0.00630
   D156       3.14139   0.00001   0.00037   0.00004   0.00041  -3.14139
   D157      -3.11919  -0.00003  -0.00042  -0.00079  -0.00121  -3.12040
   D158       0.01573  -0.00002   0.00028  -0.00090  -0.00063   0.01510
   D159       0.00063  -0.00003  -0.00170   0.00092  -0.00077  -0.00015
   D160       3.10141   0.00001  -0.00004  -0.00009  -0.00013   3.10128
   D161      -3.12902  -0.00000  -0.00057   0.00023  -0.00034  -3.12937
   D162      -0.02824   0.00003   0.00109  -0.00079   0.00030  -0.02794
   D163      -3.11580   0.00000   0.00090  -0.00051   0.00039  -3.11541
   D164       0.01741   0.00004   0.00145  -0.00075   0.00070   0.01811
   D165       0.01005  -0.00003  -0.00058   0.00040  -0.00018   0.00987
   D166      -3.13993   0.00001  -0.00003   0.00016   0.00013  -3.13980
   D167       3.11635   0.00005   0.00130  -0.00045   0.00084   3.11720
   D168      -0.00562  -0.00006   0.00025  -0.00109  -0.00083  -0.00645
   D169       0.02487   0.00001  -0.00072   0.00077   0.00006   0.02493
   D170      -3.09710  -0.00010  -0.00176   0.00014  -0.00162  -3.09872
   D171       0.00116  -0.00003  -0.00081   0.00086   0.00005   0.00121
   D172       3.12516   0.00001   0.00114  -0.00077   0.00036   3.12552
   D173      -3.10026  -0.00004   0.00000   0.00017   0.00017  -3.10008
   D174       0.02374  -0.00000   0.00195  -0.00146   0.00049   0.02423
   D175      -3.11501  -0.00004  -0.00113   0.00064  -0.00049  -3.11551
   D176       0.01407  -0.00001  -0.00051   0.00005  -0.00046   0.01361
   D177      -0.02274  -0.00002  -0.00213   0.00148  -0.00065  -0.02339
   D178       3.10635   0.00001  -0.00151   0.00089  -0.00062   3.10573
   D179       0.00121   0.00001   0.00005  -0.00007  -0.00001   0.00119
   D180      -3.12892  -0.00001   0.00014  -0.00041  -0.00027  -3.12919
   D181      -3.11932  -0.00003  -0.00230   0.00190  -0.00040  -3.11972
   D182       0.03373  -0.00005  -0.00221   0.00155  -0.00066   0.03308
   D183      -0.00727   0.00002  -0.00051   0.00054   0.00003  -0.00724
   D184       3.14113  -0.00000  -0.00012   0.00019   0.00008   3.14121
   D185       3.11115   0.00007   0.00207  -0.00161   0.00045   3.11161
   D186      -0.02363   0.00005   0.00246  -0.00196   0.00050  -0.02313
   D187      -0.00315   0.00001   0.00073  -0.00075  -0.00002  -0.00317
   D188      -3.11013  -0.00004   0.00190  -0.00265  -0.00075  -3.11088
   D189       3.12887   0.00003   0.00065  -0.00046   0.00019   3.12906
   D190       0.02188  -0.00002   0.00181  -0.00235  -0.00054   0.02134
   D191       3.12522   0.00001  -0.00124   0.00175   0.00052   3.12573
   D192      -0.01375   0.00002  -0.00091   0.00142   0.00051  -0.01324
   D193      -0.00376  -0.00001  -0.00113   0.00137   0.00024  -0.00352
   D194       3.14045   0.00000  -0.00081   0.00104   0.00023   3.14069
   D195      -3.12363  -0.00003   0.00007  -0.00055  -0.00047  -3.12410
   D196       0.01166  -0.00003  -0.00032  -0.00012  -0.00043   0.01123
   D197      -0.02458   0.00004  -0.00138   0.00180   0.00042  -0.02416
   D198       3.11071   0.00004  -0.00177   0.00223   0.00046   3.11117
   D199       0.00099   0.00001  -0.00065   0.00056  -0.00009   0.00090
   D200      -3.13008  -0.00002  -0.00139   0.00081  -0.00057  -3.13066
   D201       3.11656  -0.00000  -0.00193   0.00201   0.00008   3.11664
   D202      -0.01451  -0.00003  -0.00267   0.00226  -0.00041  -0.01492
   D203       3.12499  -0.00004  -0.00096   0.00090  -0.00006   3.12493
   D204      -0.01313  -0.00001   0.00003  -0.00003   0.00001  -0.01312
   D205       0.01530  -0.00002   0.00063  -0.00089  -0.00026   0.01504
   D206      -3.12282   0.00000   0.00162  -0.00181  -0.00020  -3.12301
   D207      -0.00128  -0.00001  -0.00024   0.00013  -0.00011  -0.00139
   D208       3.12421   0.00003   0.00199  -0.00135   0.00064   3.12485
   D209       3.12767   0.00002   0.00065  -0.00018   0.00048   3.12815
   D210      -0.03002   0.00006   0.00289  -0.00166   0.00123  -0.02879
   D211       0.00243   0.00007   0.00337  -0.00237   0.00099   0.00343
   D212      -3.14145   0.00002   0.00127  -0.00091   0.00036  -3.14109
   D213      -3.12527   0.00004   0.00238  -0.00203   0.00035  -3.12492
   D214       0.01403  -0.00001   0.00029  -0.00057  -0.00028   0.01375
   D215       0.00111   0.00001   0.00105  -0.00078   0.00027   0.00138
   D216       3.11078   0.00002   0.00021   0.00028   0.00048   3.11126
   D217      -3.12708  -0.00002  -0.00080   0.00045  -0.00035  -3.12743
   D218      -0.01742  -0.00001  -0.00165   0.00150  -0.00014  -0.01756
   D219      -3.11934  -0.00003  -0.00177   0.00105  -0.00071  -3.12005
   D220       0.01864  -0.00006  -0.00328   0.00192  -0.00137   0.01727
   D221       0.00455   0.00001   0.00068  -0.00058   0.00011   0.00466
   D222      -3.14065  -0.00002  -0.00083   0.00029  -0.00055  -3.14120
   D223       3.12020   0.00001   0.00032  -0.00004   0.00028   3.12047
   D224      -0.01321   0.00003   0.00089  -0.00044   0.00045  -0.01276
   D225       0.01772   0.00000   0.00135  -0.00133   0.00003   0.01775
   D226      -3.11568   0.00002   0.00193  -0.00173   0.00020  -3.11548
   D227       0.01024  -0.00000  -0.00023  -0.00005  -0.00028   0.00996
   D228       3.14157   0.00004  -0.00025   0.00036   0.00012  -3.14150
   D229      -3.12295  -0.00004  -0.00079   0.00020  -0.00060  -3.12355
   D230       0.00838  -0.00000  -0.00080   0.00061  -0.00020   0.00818
   D231      -0.01349   0.00005   0.00061   0.00005   0.00066  -0.01283
   D232       3.11843   0.00007   0.00070  -0.00048   0.00022   3.11866
   D233       3.13834   0.00001   0.00063  -0.00036   0.00026   3.13860
   D234      -0.01292   0.00003   0.00071  -0.00089  -0.00018  -0.01310
   D235      -0.00411  -0.00005  -0.00014  -0.00040  -0.00054  -0.00464
   D236       3.11798   0.00006   0.00091   0.00023   0.00113   3.11911
   D237      -3.13607  -0.00008  -0.00022   0.00012  -0.00010  -3.13617
   D238      -0.01399   0.00004   0.00082   0.00075   0.00157  -0.01242
   D239      -0.00533  -0.00003  -0.00076   0.00066  -0.00011  -0.00543
   D240      -3.14145  -0.00001  -0.00074   0.00046  -0.00028   3.14146
   D241       3.12564  -0.00003  -0.00060   0.00079   0.00019   3.12583
   D242      -0.01048  -0.00002  -0.00058   0.00060   0.00001  -0.01047
   D243      -0.01018   0.00005   0.00171  -0.00086   0.00084  -0.00933
   D244       3.14034   0.00001   0.00013  -0.00001   0.00012   3.14045
   D245       3.12592   0.00003   0.00168  -0.00066   0.00102   3.12694
   D246      -0.00675  -0.00001   0.00010   0.00019   0.00029  -0.00646
   D247       0.00942  -0.00003  -0.00112   0.00043  -0.00069   0.00873
   D248      -3.12548  -0.00005  -0.00182   0.00055  -0.00127  -3.12675
   D249      -3.14112   0.00001   0.00046  -0.00042   0.00004  -3.14108
   D250       0.00717  -0.00001  -0.00024  -0.00030  -0.00055   0.00663
   D251      -0.01066   0.00003   0.00008   0.00008   0.00016  -0.01050
   D252       3.13590  -0.00000  -0.00111   0.00084  -0.00027   3.13563
   D253       3.12831   0.00002  -0.00025   0.00041   0.00016   3.12847
   D254      -0.00832  -0.00001  -0.00143   0.00117  -0.00026  -0.00858
   D255       0.00767  -0.00001   0.00034  -0.00062  -0.00028   0.00740
   D256      -3.13621  -0.00003  -0.00078  -0.00073  -0.00150  -3.13771
   D257      -3.13887   0.00002   0.00153  -0.00138   0.00015  -3.13872
   D258       0.00043   0.00000   0.00040  -0.00148  -0.00108  -0.00065
   D259       0.00990  -0.00002   0.00031  -0.00032  -0.00002   0.00989
   D260      -3.12545  -0.00002   0.00069  -0.00075  -0.00006  -3.12550
   D261      -3.12942  -0.00000   0.00142  -0.00022   0.00120  -3.12821
   D262       0.01842  -0.00000   0.00180  -0.00064   0.00116   0.01958
   D263       0.00599   0.00002   0.00094  -0.00062   0.00031   0.00630
   D264      -3.14060   0.00001   0.00064  -0.00047   0.00017  -3.14042
   D265      -3.12318  -0.00001   0.00031  -0.00003   0.00028  -3.12290
   D266       0.01342  -0.00002   0.00002   0.00012   0.00014   0.01356
   D267       0.00994  -0.00001   0.00046  -0.00026   0.00020   0.01014
   D268      -3.14109   0.00002   0.00119  -0.00067   0.00052  -3.14057
   D269      -3.12663  -0.00000   0.00075  -0.00042   0.00034  -3.12629
   D270       0.00553   0.00003   0.00148  -0.00083   0.00065   0.00618
   D271      -0.00912  -0.00001  -0.00067   0.00030  -0.00037  -0.00949
   D272       3.12566   0.00001  -0.00107   0.00065  -0.00042   3.12524
   D273      -3.14125  -0.00004  -0.00140   0.00071  -0.00069   3.14124
   D274      -0.00648  -0.00002  -0.00180   0.00106  -0.00074  -0.00721
   D275       0.00718   0.00000   0.00050  -0.00046   0.00004   0.00722
   D276      -3.14013  -0.00001  -0.00014  -0.00014  -0.00028  -3.14041
   D277      -3.13079   0.00003   0.00202  -0.00133   0.00070  -3.13009
   D278       0.00509   0.00001   0.00138  -0.00100   0.00037   0.00546
   D279      -0.00671  -0.00001  -0.00079   0.00063  -0.00016  -0.00687
   D280       3.13089  -0.00003  -0.00181   0.00140  -0.00040   3.13049
   D281       3.14059   0.00000  -0.00015   0.00031   0.00016   3.14074
   D282      -0.00499  -0.00001  -0.00117   0.00108  -0.00008  -0.00508
   D283      -0.00571   0.00001  -0.00014   0.00027   0.00012  -0.00559
   D284       3.12773  -0.00001  -0.00071   0.00066  -0.00005   3.12768
   D285       3.13986   0.00003   0.00087  -0.00050   0.00036   3.14022
   D286      -0.00989   0.00001   0.00029  -0.00011   0.00019  -0.00970
   D287      -0.00447   0.00003   0.00068  -0.00034   0.00034  -0.00413
   D288       3.13952   0.00001  -0.00002  -0.00019  -0.00022   3.13930
   D289       3.13367  -0.00000  -0.00031   0.00058   0.00027   3.13394
   D290      -0.00554  -0.00002  -0.00101   0.00073  -0.00028  -0.00582
   D291      -0.00726   0.00002   0.00006   0.00018   0.00025  -0.00701
   D292       3.13927  -0.00002  -0.00107   0.00103  -0.00003   3.13924
   D293       3.13193   0.00004   0.00077   0.00004   0.00080   3.13274
   D294      -0.00472   0.00000  -0.00036   0.00089   0.00052  -0.00420
   D295       0.00816  -0.00007  -0.00211   0.00119  -0.00092   0.00724
   D296      -3.13114  -0.00001  -0.00001  -0.00027  -0.00028  -3.13142
   D297      -3.13838  -0.00003  -0.00098   0.00034  -0.00064  -3.13902
   D298       0.00550   0.00002   0.00112  -0.00112  -0.00000   0.00550
   D299       1.72198   0.00422  -0.02592   0.03330   0.00738   1.72935
   D300      -0.52359   0.00217  -0.03070   0.02731  -0.00340  -0.52699
   D301      -2.75757  -0.00014  -0.03621   0.03557  -0.00062  -2.75818
   D302       3.02910   0.00051   0.08429   0.02383   0.10807   3.13717
   D303      -1.09672   0.00052   0.08665   0.02542   0.11208  -0.98464
   D304       1.13988   0.00078   0.08132   0.02441   0.10577   1.24564
   D305      -2.32397   0.00318   0.01094  -0.01147  -0.00053  -2.32450
   D306      -0.19016   0.00552   0.00964  -0.01264  -0.00299  -0.19316
   D307       1.85907   0.00255   0.01048  -0.01417  -0.00370   1.85538
   D308       1.98963  -0.00013  -0.04055  -0.01299  -0.05354   1.93609
   D309      -2.18399  -0.00028  -0.04154  -0.01198  -0.05353  -2.23751
   D310      -0.14787  -0.00024  -0.04458  -0.00989  -0.05447  -0.20234
   D311      -3.06883  -0.00211  -0.00436   0.00025  -0.00411  -3.07294
   D312      -0.98152  -0.00208  -0.00374  -0.00006  -0.00380  -0.98533
   D313       1.13757  -0.00220  -0.00644   0.00061  -0.00583   1.13174
   D314       1.10991   0.00179  -0.00352   0.00549   0.00197   1.11188
   D315      -3.08597   0.00181  -0.00290   0.00518   0.00228  -3.08369
   D316      -0.96688   0.00170  -0.00559   0.00585   0.00026  -0.96663
   D317      -1.03640   0.00039  -0.00430   0.00496   0.00065  -1.03575
   D318       1.05090   0.00041  -0.00368   0.00465   0.00097   1.05187
   D319      -3.11319   0.00030  -0.00638   0.00532  -0.00106  -3.11425
   D320      -0.92408   0.00271   0.00649   0.02327   0.02976  -0.89432
   D321       1.17373   0.00304   0.00753   0.02237   0.02990   1.20363
   D322      -2.93601   0.00427   0.00737   0.02307   0.03044  -2.90556
   D323       3.08391  -0.00006  -0.01653   0.01352  -0.00300   3.08090
   D324      -1.11290   0.00001  -0.01445   0.01135  -0.00310  -1.11600
   D325       0.99605  -0.00006  -0.01560   0.01255  -0.00305   0.99300
   D326       1.04182  -0.00008  -0.01633   0.01385  -0.00248   1.03934
   D327       3.12820  -0.00000  -0.01426   0.01168  -0.00258   3.12563
   D328      -1.04603  -0.00007  -0.01541   0.01288  -0.00252  -1.04856
   D329      -1.07572   0.00004  -0.01293   0.01201  -0.00091  -1.07663
   D330       1.01066   0.00011  -0.01085   0.00985  -0.00101   1.00965
   D331       3.11961   0.00004  -0.01200   0.01105  -0.00096   3.11865
         Item               Value     Threshold  Converged?
 Maximum Force            0.008312     0.000450     NO 
 RMS     Force            0.000805     0.000300     NO 
 Maximum Displacement     0.454538     0.001800     NO 
 RMS     Displacement     0.045187     0.001200     NO 
 Predicted change in Energy=-5.337584D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.614146    3.245427    0.102437
      2          6           0       -2.767641    1.865276    0.253093
      3          6           0       -1.660720    1.009041    0.209053
      4          6           0       -0.371835    1.565248    0.077691
      5          6           0       -0.225757    2.948375   -0.093845
      6          6           0       -1.331900    3.784510   -0.095500
      7          6           0       -1.791312   -0.460161    0.179984
      8          6           0       -0.656146   -1.278430    0.403088
      9          6           0        0.625121   -0.626653    0.827732
     10          6           0        0.815808    0.700994    0.152855
     11          6           0       -2.996839   -1.058504   -0.204430
     12          6           0       -3.086803   -2.433213   -0.428963
     13          6           0       -1.938178   -3.223071   -0.302649
     14          6           0       -0.744610   -2.644601    0.106308
     15          7           0        1.786919   -1.442677    0.922602
     16          6           0        3.034458   -0.935531    0.453848
     17          6           0        3.071108    0.343048   -0.149524
     18          7           0        1.948049    1.138903   -0.280043
     19          6           0        4.229324   -1.669869    0.514703
     20          6           0        5.415385   -1.145441    0.017431
     21          6           0        5.452799    0.121703   -0.584481
     22          6           0        4.272647    0.849698   -0.669989
     23          7           0       -3.747410    4.092466    0.142092
     24          7           0       -4.314886   -3.009633   -0.831269
     25          7           0        6.668784    0.643799   -1.092522
     26          6           0       -4.937045   -4.110637   -0.224412
     27          6           0       -6.147628   -4.387576   -0.907016
     28          6           0       -6.261207   -3.416095   -1.975222
     29          6           0       -5.116346   -2.583178   -1.900084
     30          6           0       -3.880679    5.250147    0.924388
     31          6           0       -5.154354    5.823192    0.683329
     32          6           0       -5.821988    4.977403   -0.283934
     33          6           0       -4.930156    3.920332   -0.594122
     34          6           0        7.243358    1.873299   -0.742814
     35          6           0        8.470928    2.020310   -1.436870
     36          6           0        8.645180    0.829037   -2.241506
     37          6           0        7.517355    0.003126   -2.003795
     38          6           0       -7.210563   -3.195318   -2.979243
     39          6           0       -7.004752   -2.166647   -3.893683
     40          6           0       -5.853059   -1.365681   -3.819679
     41          6           0       -4.893655   -1.562008   -2.828197
     42          6           0       -4.541161   -4.847228    0.895135
     43          6           0       -5.368916   -5.888824    1.308597
     44          6           0       -6.563646   -6.189185    0.632916
     45          6           0       -6.960347   -5.440069   -0.470537
     46          6           0       -7.072648    5.033482   -0.909278
     47          6           0       -7.415526    4.048352   -1.830314
     48          6           0       -6.514201    3.016556   -2.139658
     49          6           0       -5.261822    2.940471   -1.533972
     50          6           0       -2.996493    5.802463    1.855326
     51          6           0       -3.396380    6.957906    2.523389
     52          6           0       -4.647042    7.549627    2.281154
     53          6           0       -5.531197    6.984191    1.367663
     54          6           0        9.633175    0.405893   -3.137933
     55          6           0        9.484342   -0.818052   -3.783286
     56          6           0        8.353425   -1.617509   -3.546911
     57          6           0        7.354971   -1.220102   -2.660264
     58          6           0        6.787282    2.844801    0.152005
     59          6           0        7.573198    3.981155    0.329767
     60          6           0        8.786071    4.149308   -0.359442
     61          6           0        9.241207    3.171986   -1.239088
     62          8           0        0.473664   -3.031016    2.726458
     63         15           0        1.776958   -2.764267    2.092714
     64          8           0        3.000715   -2.478960    3.082726
     65          8           0        2.364657   -3.927665    1.152451
     66          6           0        2.797213   -1.849962    4.393776
     67          6           0        3.823652   -0.750804    4.571359
     68          6           0        2.546245   -5.261294    1.720357
     69          6           0        1.548533   -6.220044    1.100047
     70          1           0       -3.760678    1.471097    0.431175
     71          1           0        0.772905    3.349486   -0.221638
     72          1           0       -1.215229    4.852073   -0.244736
     73          1           0       -3.878054   -0.450764   -0.367066
     74          1           0       -1.977644   -4.276937   -0.553841
     75          1           0        0.138537   -3.266134    0.137284
     76          1           0        4.246184   -2.656257    0.951861
     77          1           0        6.328535   -1.724470    0.101109
     78          1           0        4.239405    1.822107   -1.147093
     79          1           0       -8.093013   -3.825029   -3.047074
     80          1           0       -7.734262   -1.985736   -4.676898
     81          1           0       -5.698797   -0.581148   -4.555034
     82          1           0       -3.998300   -0.951648   -2.792529
     83          1           0       -3.628382   -4.613809    1.431762
     84          1           0       -5.083649   -6.476689    2.176013
     85          1           0       -7.184933   -7.008471    0.981103
     86          1           0       -7.890917   -5.664108   -0.984046
     87          1           0       -7.764860    5.838391   -0.678931
     88          1           0       -8.384974    4.077657   -2.318039
     89          1           0       -6.795057    2.257049   -2.863297
     90          1           0       -4.570196    2.147101   -1.793064
     91          1           0       -2.035884    5.345229    2.063301
     92          1           0       -2.724767    7.404921    3.250275
     93          1           0       -4.927238    8.450431    2.818292
     94          1           0       -6.504420    7.433278    1.191527
     95          1           0       10.502691    1.028163   -3.329398
     96          1           0       10.244694   -1.157347   -4.479944
     97          1           0        8.250551   -2.564775   -4.068188
     98          1           0        6.479260   -1.837576   -2.493585
     99          1           0        5.856248    2.720498    0.693495
    100          1           0        7.238611    4.751333    1.018462
    101          1           0        9.373318    5.048115   -0.199382
    102          1           0       10.183627    3.298333   -1.764487
    103          1           0        1.778037   -1.466448    4.445182
    104          1           0        2.920299   -2.647448    5.131798
    105          1           0        3.724973   -0.322840    5.574247
    106          1           0        4.840839   -1.137118    4.459804
    107          1           0        3.664913    0.047527    3.842076
    108          1           0        3.577920   -5.540914    1.493206
    109          1           0        2.433295   -5.222387    2.807875
    110          1           0        1.723072   -7.232873    1.478093
    111          1           0        0.527670   -5.925796    1.356637
    112          1           0        1.651205   -6.236759    0.011295
    113         17           0        0.297713    0.148930    2.777756
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351818           0.0181659           0.0142366
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10691.8509364001 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000449    0.000210    0.000830 Ang=  -0.11 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48589648     A.U. after   12 cycles
            NFock= 12  Conv=0.45D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000203280   -0.000032115    0.000048847
      2        6          -0.000172357    0.000162869    0.000266578
      3        6          -0.000163974   -0.000455166    0.000212438
      4        6          -0.000011133    0.000509777   -0.000681626
      5        6           0.000232649   -0.000100209    0.000050590
      6        6          -0.000238487    0.000165469    0.000023428
      7        6           0.000154597    0.000054408    0.000006757
      8        6           0.000127782    0.000318940    0.000520443
      9        6           0.000180800   -0.000939330    0.000189395
     10        6           0.000350852   -0.000255768   -0.000276494
     11        6          -0.000056457   -0.000145866   -0.000124863
     12        6          -0.000009829    0.000126340    0.000099847
     13        6          -0.000078728    0.000080020   -0.000203184
     14        6           0.000279895    0.000115430   -0.000051884
     15        7          -0.000394146    0.000041055    0.000083013
     16        6          -0.000202579    0.000042569    0.000119484
     17        6           0.000734982   -0.000578638    0.000022480
     18        7          -0.000367517    0.000573870    0.000193328
     19        6           0.000078958   -0.000313663   -0.000374069
     20        6           0.000299976    0.000035996    0.000241285
     21        6          -0.000377858   -0.000003365   -0.000090708
     22        6          -0.000473467   -0.000069829   -0.000072502
     23        7          -0.000235802    0.000192188   -0.000028289
     24        7          -0.000101044   -0.000419848   -0.000175284
     25        7           0.000382737    0.000097285    0.000246926
     26        6           0.000119107    0.000167028    0.000135245
     27        6          -0.000039639    0.000015564    0.000014806
     28        6          -0.000094072    0.000090765    0.000089599
     29        6           0.000111493   -0.000034228    0.000057456
     30        6           0.000004499   -0.000050965    0.000089517
     31        6          -0.000054890   -0.000120197    0.000134733
     32        6          -0.000014771    0.000114339   -0.000086907
     33        6           0.000199002    0.000085284   -0.000095063
     34        6          -0.000107889   -0.000201749   -0.000107630
     35        6           0.000128784   -0.000052797    0.000110582
     36        6          -0.000059533    0.000132495   -0.000123800
     37        6          -0.000160926   -0.000014233   -0.000205799
     38        6          -0.000034603   -0.000085358   -0.000102249
     39        6          -0.000011951   -0.000037068   -0.000029392
     40        6           0.000040568    0.000198000   -0.000143838
     41        6           0.000075365   -0.000154372   -0.000102273
     42        6           0.000020974   -0.000051824   -0.000033628
     43        6           0.000052357   -0.000095330    0.000018577
     44        6          -0.000072131    0.000023100    0.000041528
     45        6          -0.000037937    0.000032490   -0.000080151
     46        6          -0.000052374    0.000011883    0.000089825
     47        6          -0.000105091    0.000013536   -0.000077833
     48        6           0.000050866   -0.000109694   -0.000032669
     49        6           0.000053397   -0.000113292    0.000011249
     50        6           0.000060484   -0.000076407   -0.000064710
     51        6           0.000175182   -0.000055053   -0.000038197
     52        6          -0.000039577    0.000040856    0.000065200
     53        6          -0.000060902    0.000052491   -0.000052835
     54        6           0.000044911   -0.000028563    0.000104400
     55        6           0.000128505    0.000078510   -0.000031561
     56        6          -0.000019043   -0.000096275   -0.000022413
     57        6           0.000004993   -0.000021622    0.000100577
     58        6          -0.000029579   -0.000062682   -0.000034506
     59        6          -0.000017634    0.000076951    0.000087190
     60        6           0.000056853   -0.000057089    0.000083130
     61        6           0.000045161    0.000124629   -0.000213519
     62        8          -0.000173890   -0.000012003    0.000772711
     63       15          -0.002058716   -0.000433245   -0.000129520
     64        8           0.000769687    0.000538467    0.000162935
     65        8           0.001453064    0.000236553   -0.000423102
     66        6          -0.000106830   -0.000246827   -0.000702848
     67        6           0.000006046    0.000208646    0.000007661
     68        6          -0.000711314   -0.000124859    0.000138201
     69        6           0.000148719   -0.000203737    0.000036979
     70        1           0.000117527    0.000008801   -0.000129403
     71        1           0.000002015    0.000066001   -0.000026895
     72        1          -0.000049029   -0.000046643    0.000022197
     73        1           0.000100437    0.000019422   -0.000025418
     74        1          -0.000068442   -0.000001167    0.000060336
     75        1          -0.000260234   -0.000062087    0.000014721
     76        1           0.000245836    0.000629617   -0.000326386
     77        1           0.000030922    0.000061326   -0.000100822
     78        1           0.000252334    0.000079041    0.000005427
     79        1          -0.000022538    0.000047223    0.000009659
     80        1          -0.000014346   -0.000005725   -0.000014395
     81        1          -0.000059415   -0.000059750    0.000134713
     82        1          -0.000045717    0.000073727    0.000058723
     83        1           0.000018685    0.000056318    0.000013438
     84        1           0.000031942    0.000042333   -0.000024926
     85        1           0.000006318   -0.000008403    0.000003545
     86        1           0.000000205   -0.000021489    0.000009775
     87        1           0.000048248   -0.000050406   -0.000032835
     88        1           0.000032199    0.000007901    0.000047716
     89        1           0.000028252    0.000070892   -0.000000432
     90        1          -0.000011583    0.000021926    0.000016803
     91        1           0.000001237    0.000009410   -0.000034484
     92        1          -0.000026033    0.000018935    0.000017671
     93        1           0.000007620    0.000023909   -0.000030885
     94        1          -0.000006516   -0.000030619   -0.000001268
     95        1          -0.000013999   -0.000000591   -0.000051462
     96        1          -0.000023551   -0.000020371    0.000021299
     97        1          -0.000041303    0.000041617    0.000021782
     98        1           0.000004525    0.000016528   -0.000005222
     99        1          -0.000020514   -0.000008455    0.000023938
    100        1           0.000009002    0.000008057   -0.000019311
    101        1           0.000015166    0.000045237    0.000003399
    102        1          -0.000044498    0.000013107    0.000049547
    103        1          -0.000216492   -0.000210328    0.001215904
    104        1          -0.000037202   -0.000013368   -0.000066826
    105        1           0.000039681   -0.000000615    0.000063028
    106        1          -0.000123344    0.000047836   -0.000034482
    107        1           0.000097350   -0.000104928   -0.000013280
    108        1           0.000170042   -0.000080523   -0.000201635
    109        1           0.000200484    0.000068375   -0.000224264
    110        1          -0.000030674    0.000054711   -0.000033067
    111        1          -0.000072965   -0.000032305   -0.000001677
    112        1          -0.000011421    0.000053984    0.000119585
    113       17          -0.000090066    0.000267004   -0.000197425
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002058716 RMS     0.000238528

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001110120 RMS     0.000155131
 Search for a local minimum.
 Step number  26 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   22   23   24   25   26
 DE= -6.02D-04 DEPred=-5.34D-04 R= 1.13D+00
 TightC=F SS=  1.41D+00  RLast= 2.30D-01 DXNew= 2.1488D+00 6.9121D-01
 Trust test= 1.13D+00 RLast= 2.30D-01 DXMaxT set to 1.28D+00
 ITU=  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1
 ITU=  1  0  0  0  1  0
     Eigenvalues ---    0.00229   0.00398   0.00743   0.00962   0.01230
     Eigenvalues ---    0.01285   0.01433   0.01831   0.02190   0.02440
     Eigenvalues ---    0.02486   0.02540   0.02554   0.02583   0.02598
     Eigenvalues ---    0.02610   0.02636   0.02655   0.02681   0.02688
     Eigenvalues ---    0.02698   0.02703   0.02713   0.02718   0.02748
     Eigenvalues ---    0.02755   0.02770   0.02776   0.02795   0.02802
     Eigenvalues ---    0.02807   0.02808   0.02812   0.02815   0.02827
     Eigenvalues ---    0.02832   0.02850   0.02863   0.02872   0.02874
     Eigenvalues ---    0.02876   0.02883   0.02891   0.02899   0.02900
     Eigenvalues ---    0.02905   0.02908   0.02915   0.02917   0.02918
     Eigenvalues ---    0.02927   0.02934   0.02944   0.02945   0.02949
     Eigenvalues ---    0.02950   0.02952   0.02955   0.02958   0.02961
     Eigenvalues ---    0.02964   0.02967   0.02971   0.02973   0.02976
     Eigenvalues ---    0.02990   0.02990   0.02993   0.02999   0.03004
     Eigenvalues ---    0.03019   0.03030   0.03030   0.03049   0.03059
     Eigenvalues ---    0.03059   0.03067   0.03080   0.03090   0.03097
     Eigenvalues ---    0.03103   0.03118   0.03129   0.03131   0.03141
     Eigenvalues ---    0.03165   0.03174   0.03176   0.03187   0.03225
     Eigenvalues ---    0.03238   0.03249   0.03270   0.03278   0.03334
     Eigenvalues ---    0.03441   0.03539   0.03861   0.04981   0.05290
     Eigenvalues ---    0.05463   0.05754   0.05765   0.05880   0.05917
     Eigenvalues ---    0.06076   0.06154   0.07265   0.08260   0.11561
     Eigenvalues ---    0.11688   0.12086   0.13291   0.13713   0.14219
     Eigenvalues ---    0.15190   0.15898   0.15949   0.15973   0.15982
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16004   0.16007   0.16009   0.16012
     Eigenvalues ---    0.16022   0.16065   0.16108   0.16172   0.18443
     Eigenvalues ---    0.19686   0.20773   0.21251   0.21991   0.21995
     Eigenvalues ---    0.21999   0.21999   0.22000   0.22020   0.22087
     Eigenvalues ---    0.22321   0.22440   0.22490   0.22530   0.22598
     Eigenvalues ---    0.22603   0.22607   0.22628   0.22661   0.22671
     Eigenvalues ---    0.23260   0.23446   0.23476   0.23712   0.23828
     Eigenvalues ---    0.24334   0.24377   0.24470   0.24486   0.24521
     Eigenvalues ---    0.24526   0.24548   0.24612   0.24741   0.24842
     Eigenvalues ---    0.24917   0.24968   0.24973   0.24977   0.24981
     Eigenvalues ---    0.24986   0.24989   0.24995   0.25011   0.25050
     Eigenvalues ---    0.25183   0.25789   0.26063   0.26503   0.26859
     Eigenvalues ---    0.27171   0.27989   0.28739   0.28833   0.28983
     Eigenvalues ---    0.29229   0.29331   0.29630   0.29736   0.30219
     Eigenvalues ---    0.30493   0.30652   0.30719   0.30852   0.30953
     Eigenvalues ---    0.31133   0.31203   0.31270   0.31380   0.31467
     Eigenvalues ---    0.31546   0.31693   0.32135   0.32233   0.32528
     Eigenvalues ---    0.32843   0.33147   0.33563   0.33965   0.34050
     Eigenvalues ---    0.34214   0.34387   0.34497   0.34670   0.34937
     Eigenvalues ---    0.35155   0.35436   0.35523   0.35626   0.36222
     Eigenvalues ---    0.36395   0.36780   0.37134   0.37309   0.39040
     Eigenvalues ---    0.39859   0.41455   0.41555   0.42043   0.42710
     Eigenvalues ---    0.42820   0.43416   0.43479   0.45280   0.45876
     Eigenvalues ---    0.46928   0.47099   0.47109   0.47204   0.47685
     Eigenvalues ---    0.47853   0.49562   0.49887   0.50061   0.50457
     Eigenvalues ---    0.50591   0.51139   0.51663   0.51962   0.52064
     Eigenvalues ---    0.52195   0.52318   0.52654   0.53111   0.53223
     Eigenvalues ---    0.53374   0.53789   0.54293   0.54347   0.55023
     Eigenvalues ---    0.55261   0.55339   0.55614   0.55678   0.56000
     Eigenvalues ---    0.56174   0.56215   0.56457   0.56566   0.56699
     Eigenvalues ---    0.56926   0.57097   0.57191   0.57908   0.58231
     Eigenvalues ---    0.58280   0.58284   0.58317   0.58509   0.58611
     Eigenvalues ---    0.58859   0.58960   0.59415   0.59703   0.59809
     Eigenvalues ---    0.60040   0.60601   0.60881   0.61294   0.61961
     Eigenvalues ---    0.63232   0.63556   0.63869   0.64462   0.65193
     Eigenvalues ---    0.65922   0.66768   0.67803   0.68870   0.72076
     Eigenvalues ---    0.73125   0.74578   0.76798   0.80333   0.81367
     Eigenvalues ---    0.85463   1.00010   4.01226
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    26   25   24
 RFO step:  Lambda=-1.48500782D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.97345   -0.83810   -0.13534
 Iteration  1 RMS(Cart)=  0.03494399 RMS(Int)=  0.00042509
 Iteration  2 RMS(Cart)=  0.00119539 RMS(Int)=  0.00001443
 Iteration  3 RMS(Cart)=  0.00000130 RMS(Int)=  0.00001442
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001442
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63959   0.00004   0.00023  -0.00006   0.00017   2.63976
    R2        2.65501  -0.00014  -0.00022  -0.00000  -0.00022   2.65479
    R3        2.67470  -0.00003   0.00015   0.00005   0.00020   2.67490
    R4        2.64585   0.00010  -0.00011   0.00015   0.00004   2.64589
    R5        2.04685  -0.00013  -0.00030   0.00008  -0.00023   2.04663
    R6        2.66434   0.00019  -0.00035   0.00038   0.00001   2.66435
    R7        2.78788   0.00002  -0.00020  -0.00002  -0.00024   2.78764
    R8        2.64818   0.00006   0.00001   0.00013   0.00014   2.64832
    R9        2.77930   0.00006   0.00029   0.00038   0.00067   2.77997
   R10        2.62031   0.00015   0.00033   0.00011   0.00044   2.62074
   R11        2.04802   0.00004   0.00014   0.00004   0.00018   2.04820
   R12        2.04891  -0.00005   0.00001  -0.00009  -0.00007   2.04884
   R13        2.67778   0.00008  -0.00034   0.00003  -0.00031   2.67747
   R14        2.64500   0.00018  -0.00001   0.00028   0.00027   2.64526
   R15        2.83256  -0.00020   0.00238   0.00002   0.00243   2.83499
   R16        2.64719   0.00007  -0.00028  -0.00008  -0.00036   2.64682
   R17        2.83740   0.00042   0.00306   0.00076   0.00387   2.84127
   R18        2.68891  -0.00029   0.00255  -0.00012   0.00247   2.69138
   R19        2.43557  -0.00034  -0.00203   0.00039  -0.00166   2.43392
   R20        2.63773  -0.00005   0.00002  -0.00019  -0.00017   2.63757
   R21        2.04609  -0.00008  -0.00012   0.00009  -0.00003   2.04606
   R22        2.64506  -0.00016  -0.00075   0.00025  -0.00050   2.64456
   R23        2.67401   0.00019   0.00066   0.00010   0.00076   2.67477
   R24        2.62290   0.00012   0.00075  -0.00004   0.00070   2.62360
   R25        2.04867  -0.00002   0.00010  -0.00010  -0.00000   2.04866
   R26        2.04161  -0.00020  -0.00046  -0.00020  -0.00066   2.04095
   R27        2.69462   0.00111   0.00237   0.00099   0.00336   2.69798
   R28        3.33571   0.00019  -0.00167  -0.00246  -0.00414   3.33157
   R29        2.67259   0.00001  -0.00110   0.00033  -0.00080   2.67178
   R30        2.65280   0.00062  -0.00026   0.00085   0.00060   2.65340
   R31        2.61280   0.00005   0.00190   0.00006   0.00193   2.61473
   R32        2.65321  -0.00014  -0.00080  -0.00027  -0.00107   2.65214
   R33        2.62464   0.00023   0.00093   0.00014   0.00107   2.62572
   R34        2.03911  -0.00066  -0.00112  -0.00067  -0.00178   2.03733
   R35        2.65192  -0.00020  -0.00118  -0.00006  -0.00124   2.65068
   R36        2.04939   0.00000  -0.00006   0.00009   0.00003   2.04942
   R37        2.62532  -0.00029   0.00043  -0.00051  -0.00007   2.62525
   R38        2.67869   0.00024   0.00093   0.00015   0.00108   2.67977
   R39        2.04782   0.00003   0.00003   0.00011   0.00014   2.04796
   R40        2.65234  -0.00019  -0.00010  -0.00010  -0.00020   2.65214
   R41        2.65271  -0.00022  -0.00019  -0.00017  -0.00036   2.65236
   R42        2.65072  -0.00016  -0.00049   0.00006  -0.00043   2.65029
   R43        2.65005   0.00000  -0.00032   0.00010  -0.00022   2.64983
   R44        2.64838  -0.00013  -0.00073  -0.00002  -0.00075   2.64763
   R45        2.64626   0.00002  -0.00028   0.00015  -0.00014   2.64612
   R46        2.67792   0.00009   0.00027   0.00006   0.00033   2.67825
   R47        2.64067  -0.00002  -0.00005   0.00006   0.00000   2.64067
   R48        2.73700   0.00006  -0.00004   0.00024   0.00020   2.73720
   R49        2.64478   0.00002   0.00002   0.00005   0.00006   2.64485
   R50        2.67922   0.00004   0.00010   0.00002   0.00012   2.67933
   R51        2.64432   0.00011   0.00028  -0.00005   0.00023   2.64455
   R52        2.64141   0.00004   0.00025  -0.00016   0.00009   2.64150
   R53        2.67831   0.00002   0.00000   0.00011   0.00012   2.67843
   R54        2.64122  -0.00007   0.00012  -0.00015  -0.00003   2.64118
   R55        2.73632   0.00011   0.00010   0.00023   0.00034   2.73665
   R56        2.64443   0.00002   0.00006  -0.00001   0.00005   2.64448
   R57        2.67847   0.00004   0.00012   0.00001   0.00012   2.67859
   R58        2.64450   0.00001  -0.00002   0.00002   0.00000   2.64450
   R59        2.64119   0.00001   0.00005  -0.00003   0.00003   2.64122
   R60        2.67932   0.00009   0.00030   0.00009   0.00039   2.67971
   R61        2.64056   0.00004   0.00019  -0.00007   0.00012   2.64069
   R62        2.73647   0.00003  -0.00014   0.00023   0.00009   2.73657
   R63        2.64481   0.00011   0.00016  -0.00001   0.00015   2.64496
   R64        2.67957   0.00011   0.00029   0.00005   0.00034   2.67991
   R65        2.64478   0.00002   0.00014  -0.00003   0.00010   2.64489
   R66        2.64130  -0.00006   0.00016  -0.00021  -0.00005   2.64124
   R67        2.62986   0.00003  -0.00007   0.00017   0.00011   2.62997
   R68        2.05264  -0.00002  -0.00000  -0.00001  -0.00001   2.05263
   R69        2.65466   0.00006   0.00021  -0.00000   0.00020   2.65486
   R70        2.05132   0.00002   0.00019  -0.00012   0.00007   2.05139
   R71        2.63346   0.00006   0.00007  -0.00001   0.00006   2.63352
   R72        2.05280  -0.00013  -0.00013  -0.00025  -0.00038   2.05242
   R73        2.04882   0.00002   0.00003   0.00011   0.00014   2.04896
   R74        2.63280   0.00001   0.00007   0.00002   0.00009   2.63288
   R75        2.04895   0.00004   0.00067  -0.00064   0.00003   2.04898
   R76        2.65514   0.00008   0.00011   0.00002   0.00012   2.65527
   R77        2.05222  -0.00003   0.00000  -0.00005  -0.00005   2.05217
   R78        2.62947   0.00008   0.00013   0.00007   0.00020   2.62967
   R79        2.05143   0.00001   0.00005  -0.00003   0.00002   2.05145
   R80        2.05263   0.00000   0.00003  -0.00002   0.00002   2.05265
   R81        2.62961   0.00008   0.00019   0.00002   0.00021   2.62982
   R82        2.05285  -0.00008   0.00013  -0.00042  -0.00029   2.05256
   R83        2.65416   0.00010   0.00001   0.00014   0.00015   2.65432
   R84        2.05152  -0.00005  -0.00004  -0.00007  -0.00011   2.05141
   R85        2.63283  -0.00001  -0.00001   0.00009   0.00008   2.63291
   R86        2.05223  -0.00005  -0.00001  -0.00012  -0.00013   2.05210
   R87        2.04834  -0.00003  -0.00004   0.00006   0.00002   2.04836
   R88        2.63294  -0.00002  -0.00001  -0.00002  -0.00003   2.63292
   R89        2.04849  -0.00001   0.00004   0.00004   0.00008   2.04857
   R90        2.65435   0.00015   0.00012   0.00016   0.00029   2.65464
   R91        2.05212   0.00000   0.00005  -0.00002   0.00003   2.05215
   R92        2.62931   0.00011   0.00010   0.00009   0.00019   2.62950
   R93        2.05144  -0.00000  -0.00001   0.00000  -0.00000   2.05144
   R94        2.05265  -0.00000   0.00001  -0.00001  -0.00000   2.05265
   R95        2.62983   0.00002  -0.00009   0.00012   0.00003   2.62986
   R96        2.05271  -0.00000   0.00014  -0.00012   0.00002   2.05273
   R97        2.65503   0.00010   0.00014   0.00011   0.00026   2.65529
   R98        2.05154  -0.00003   0.00002  -0.00007  -0.00005   2.05149
   R99        2.63275   0.00001  -0.00005   0.00003  -0.00002   2.63274
   R100       2.05244  -0.00005  -0.00001  -0.00009  -0.00010   2.05234
   R101       2.04922  -0.00002  -0.00007   0.00009   0.00002   2.04925
   R102       2.63247   0.00010   0.00020  -0.00006   0.00013   2.63260
   R103       2.04884   0.00003   0.00001   0.00014   0.00015   2.04899
   R104       2.65528   0.00005   0.00002   0.00013   0.00014   2.65542
   R105       2.05227  -0.00001  -0.00001   0.00002   0.00001   2.05227
   R106       2.62943   0.00006   0.00009   0.00007   0.00016   2.62959
   R107       2.05132   0.00005   0.00009   0.00001   0.00010   2.05141
   R108       2.05291  -0.00006  -0.00005  -0.00006  -0.00011   2.05280
   R109       2.78461   0.00050   0.00061   0.00062   0.00123   2.78584
   R110       3.02303   0.00063   0.00319  -0.00132   0.00186   3.02490
   R111       3.03710   0.00088   0.00284   0.00014   0.00298   3.04009
   R112       2.77468   0.00029  -0.00391   0.00067  -0.00324   2.77145
   R113       2.76059   0.00012   0.00158  -0.00013   0.00146   2.76205
   R114       2.86171   0.00013   0.00016   0.00060   0.00077   2.86248
   R115       2.06010   0.00044  -0.00086   0.00191   0.00105   2.06115
   R116       2.06648  -0.00004   0.00053  -0.00046   0.00007   2.06655
   R117       2.06895   0.00006   0.00007   0.00006   0.00013   2.06908
   R118       2.06694  -0.00012  -0.00027  -0.00019  -0.00045   2.06649
   R119       2.06524  -0.00010  -0.00004  -0.00007  -0.00011   2.06513
   R120       2.86555   0.00001  -0.00060   0.00092   0.00032   2.86587
   R121       2.06503   0.00023  -0.00015   0.00030   0.00015   2.06518
   R122       2.06747  -0.00024  -0.00013  -0.00043  -0.00055   2.06692
   R123       2.06941  -0.00007   0.00003  -0.00016  -0.00013   2.06927
   R124       2.06541   0.00006  -0.00003   0.00011   0.00008   2.06549
   R125       2.06681  -0.00012  -0.00003  -0.00028  -0.00031   2.06650
   R126       5.20314   0.00031  -0.00679   0.04349   0.03671   5.23984
    A1        2.08818   0.00015  -0.00013   0.00066   0.00053   2.08871
    A2        2.09475  -0.00005   0.00013  -0.00033  -0.00021   2.09454
    A3        2.10024  -0.00010  -0.00000  -0.00033  -0.00033   2.09991
    A4        2.11061   0.00002   0.00049  -0.00065  -0.00016   2.11045
    A5        2.06924   0.00005  -0.00016   0.00090   0.00074   2.06998
    A6        2.10300  -0.00007  -0.00036  -0.00019  -0.00055   2.10246
    A7        2.07648  -0.00020  -0.00050   0.00020  -0.00029   2.07619
    A8        2.14083   0.00021   0.00070  -0.00011   0.00061   2.14144
    A9        2.06231  -0.00002  -0.00015  -0.00019  -0.00038   2.06192
   A10        2.08986   0.00016   0.00021   0.00033   0.00055   2.09040
   A11        2.09626  -0.00018  -0.00044  -0.00056  -0.00102   2.09524
   A12        2.09678   0.00002   0.00023   0.00018   0.00042   2.09721
   A13        2.10849  -0.00008   0.00018  -0.00046  -0.00028   2.10821
   A14        2.06665   0.00010   0.00025   0.00027   0.00052   2.06717
   A15        2.10804  -0.00002  -0.00043   0.00019  -0.00023   2.10781
   A16        2.09037  -0.00005  -0.00034   0.00005  -0.00029   2.09008
   A17        2.08908  -0.00003   0.00031  -0.00035  -0.00005   2.08904
   A18        2.10372   0.00008   0.00003   0.00031   0.00034   2.10406
   A19        2.09562   0.00008  -0.00030   0.00042   0.00010   2.09573
   A20        2.10294  -0.00012  -0.00022  -0.00063  -0.00085   2.10208
   A21        2.07872   0.00004   0.00044   0.00029   0.00073   2.07945
   A22        2.06949   0.00012   0.00080  -0.00063   0.00019   2.06968
   A23        2.07057  -0.00019  -0.00067  -0.00010  -0.00078   2.06979
   A24        2.13894   0.00006  -0.00034   0.00085   0.00048   2.13942
   A25        1.94519  -0.00019  -0.00330  -0.00057  -0.00398   1.94121
   A26        2.05720   0.00028  -0.00337  -0.00041  -0.00397   2.05323
   A27        2.01902  -0.00012  -0.00251  -0.00007  -0.00272   2.01630
   A28        2.02641   0.00022  -0.00052   0.00004  -0.00047   2.02594
   A29        2.08583  -0.00059  -0.00198   0.00025  -0.00178   2.08406
   A30        2.16877   0.00036   0.00221  -0.00023   0.00197   2.17074
   A31        2.11848   0.00008   0.00036  -0.00029   0.00007   2.11855
   A32        2.09704  -0.00009   0.00003  -0.00045  -0.00042   2.09662
   A33        2.06711   0.00001  -0.00046   0.00076   0.00030   2.06741
   A34        2.08100  -0.00012  -0.00059  -0.00004  -0.00063   2.08038
   A35        2.09771   0.00025   0.00063  -0.00009   0.00053   2.09824
   A36        2.10365  -0.00013  -0.00006   0.00014   0.00008   2.10373
   A37        2.09103   0.00012   0.00025   0.00020   0.00045   2.09148
   A38        2.09183  -0.00012  -0.00029  -0.00031  -0.00060   2.09123
   A39        2.09986   0.00000   0.00004   0.00018   0.00021   2.10007
   A40        2.12138   0.00006   0.00035  -0.00014   0.00022   2.12160
   A41        2.09828   0.00014   0.00076  -0.00015   0.00061   2.09889
   A42        2.06193  -0.00020  -0.00126   0.00045  -0.00081   2.06112
   A43        2.08112  -0.00013  -0.00001   0.00055   0.00054   2.08166
   A44        2.05891  -0.00017   0.00461  -0.00782  -0.00328   2.05563
   A45        2.08189   0.00032  -0.00195   0.00290   0.00085   2.08274
   A46        2.07654  -0.00007   0.00085  -0.00067   0.00018   2.07672
   A47        2.14645   0.00089   0.00019   0.00197   0.00216   2.14861
   A48        2.05936  -0.00082  -0.00112  -0.00129  -0.00242   2.05693
   A49        2.14076   0.00007  -0.00013   0.00038   0.00021   2.14097
   A50        2.10199   0.00054   0.00093   0.00108   0.00202   2.10401
   A51        2.04027  -0.00061  -0.00087  -0.00144  -0.00228   2.03799
   A52        2.07863  -0.00012  -0.00046   0.00015  -0.00036   2.07827
   A53        2.11043   0.00030   0.00079   0.00037   0.00115   2.11157
   A54        2.10487   0.00022  -0.00040   0.00156   0.00116   2.10603
   A55        2.06788  -0.00052  -0.00039  -0.00192  -0.00231   2.06558
   A56        2.11446  -0.00001  -0.00040  -0.00002  -0.00043   2.11403
   A57        2.08267   0.00011   0.00032   0.00049   0.00082   2.08349
   A58        2.08604  -0.00010   0.00009  -0.00047  -0.00038   2.08567
   A59        2.06793  -0.00008  -0.00030   0.00017  -0.00014   2.06779
   A60        2.10502   0.00007   0.00051   0.00014   0.00065   2.10567
   A61        2.11023   0.00002  -0.00021  -0.00031  -0.00051   2.10972
   A62        2.11188   0.00007   0.00008  -0.00034  -0.00027   2.11160
   A63        2.04965   0.00022   0.00099   0.00115   0.00215   2.05180
   A64        2.12161  -0.00029  -0.00109  -0.00079  -0.00187   2.11973
   A65        2.19599  -0.00002   0.00001  -0.00001  -0.00000   2.19599
   A66        2.19757  -0.00012  -0.00005  -0.00038  -0.00043   2.19714
   A67        1.88963   0.00014   0.00005   0.00038   0.00043   1.89006
   A68        2.19160  -0.00014  -0.00016   0.00022   0.00005   2.19164
   A69        2.20040   0.00008   0.00019  -0.00045  -0.00027   2.20013
   A70        1.89119   0.00006  -0.00002   0.00024   0.00021   1.89140
   A71        2.19616  -0.00003  -0.00006  -0.00020  -0.00026   2.19590
   A72        2.19512   0.00003   0.00011   0.00012   0.00022   2.19535
   A73        1.89159  -0.00000  -0.00001   0.00012   0.00011   1.89170
   A74        1.90065  -0.00002   0.00012  -0.00023  -0.00010   1.90055
   A75        2.25842  -0.00003  -0.00002   0.00005   0.00003   2.25846
   A76        2.12342   0.00004  -0.00007   0.00020   0.00013   2.12355
   A77        1.86625   0.00001  -0.00012   0.00014   0.00003   1.86627
   A78        2.08611  -0.00003   0.00003  -0.00020  -0.00017   2.08595
   A79        2.33075   0.00002   0.00009   0.00006   0.00015   2.33090
   A80        1.86674  -0.00007  -0.00018  -0.00005  -0.00023   1.86650
   A81        2.32982   0.00005   0.00008   0.00025   0.00033   2.33015
   A82        2.08654   0.00002   0.00010  -0.00020  -0.00010   2.08644
   A83        1.89995   0.00001   0.00019  -0.00009   0.00010   1.90004
   A84        2.26164   0.00003   0.00011  -0.00028  -0.00017   2.26147
   A85        2.12076  -0.00004  -0.00030   0.00039   0.00010   2.12086
   A86        1.90078  -0.00003   0.00003  -0.00026  -0.00022   1.90055
   A87        2.26155  -0.00012   0.00012  -0.00029  -0.00018   2.26137
   A88        2.12001   0.00015  -0.00015   0.00056   0.00041   2.12042
   A89        1.86690  -0.00004  -0.00004   0.00004   0.00000   1.86690
   A90        2.08780  -0.00006   0.00015  -0.00036  -0.00021   2.08759
   A91        2.32831   0.00010  -0.00011   0.00034   0.00022   2.32853
   A92        1.86680  -0.00005  -0.00008   0.00000  -0.00008   1.86672
   A93        2.32837   0.00011   0.00012   0.00023   0.00035   2.32873
   A94        2.08796  -0.00006  -0.00004  -0.00023  -0.00027   2.08769
   A95        1.90066  -0.00002   0.00003  -0.00016  -0.00013   1.90053
   A96        2.26345  -0.00007   0.00000  -0.00022  -0.00021   2.26323
   A97        2.11847   0.00009   0.00000   0.00038   0.00038   2.11885
   A98        1.90052   0.00008   0.00032  -0.00003   0.00029   1.90081
   A99        2.26001  -0.00005   0.00008  -0.00029  -0.00021   2.25979
   A100       2.12231  -0.00002  -0.00039   0.00032  -0.00007   2.12224
   A101       1.86595  -0.00006  -0.00031  -0.00003  -0.00034   1.86562
   A102       2.08594   0.00002   0.00024  -0.00021   0.00002   2.08596
   A103       2.33124   0.00004   0.00007   0.00025   0.00032   2.33156
   A104       1.86534  -0.00001  -0.00003   0.00004   0.00000   1.86535
   A105       2.33169   0.00003   0.00003   0.00008   0.00011   2.33180
   A106       2.08606  -0.00002   0.00001  -0.00011  -0.00010   2.08595
   A107       1.90138  -0.00000   0.00003  -0.00010  -0.00007   1.90131
   A108       2.25963  -0.00003   0.00019  -0.00018   0.00000   2.25963
   A109       2.12165   0.00003  -0.00020   0.00030   0.00010   2.12175
   A110       2.08031  -0.00001   0.00003  -0.00005  -0.00002   2.08029
   A111       2.09962   0.00003   0.00009   0.00001   0.00010   2.09972
   A112       2.10323  -0.00002  -0.00012   0.00004  -0.00008   2.10315
   A113       2.10375   0.00000   0.00003   0.00008   0.00011   2.10386
   A114       2.09197  -0.00001  -0.00002  -0.00001  -0.00003   2.09194
   A115       2.08742   0.00000  -0.00001  -0.00006  -0.00007   2.08735
   A116       2.11949  -0.00002  -0.00015   0.00003  -0.00012   2.11936
   A117       2.08581  -0.00000  -0.00005   0.00004  -0.00001   2.08580
   A118       2.07785   0.00003   0.00020  -0.00006   0.00014   2.07799
   A119       2.05517   0.00005   0.00028  -0.00023   0.00006   2.05522
   A120       2.11883  -0.00001  -0.00012   0.00007  -0.00005   2.11877
   A121       2.10905  -0.00004  -0.00014   0.00019   0.00004   2.10909
   A122       2.05277  -0.00000   0.00010  -0.00006   0.00003   2.05280
   A123       2.11945  -0.00004  -0.00029   0.00005  -0.00024   2.11922
   A124       2.11091   0.00004   0.00019   0.00001   0.00020   2.11112
   A125       2.12035  -0.00002  -0.00005  -0.00007  -0.00012   2.12023
   A126       2.07793  -0.00004  -0.00015  -0.00001  -0.00016   2.07777
   A127       2.08490   0.00006   0.00020   0.00008   0.00027   2.08517
   A128       2.10446   0.00002   0.00004   0.00008   0.00012   2.10458
   A129       2.08718  -0.00002  -0.00007  -0.00003  -0.00010   2.08708
   A130       2.09151  -0.00000   0.00004  -0.00005  -0.00001   2.09150
   A131       2.07902  -0.00002  -0.00004   0.00005   0.00001   2.07903
   A132       2.10037   0.00003   0.00012   0.00002   0.00014   2.10051
   A133       2.10378  -0.00001  -0.00008  -0.00007  -0.00015   2.10363
   A134       2.08015   0.00001   0.00004   0.00001   0.00005   2.08020
   A135       2.09950   0.00001   0.00006  -0.00002   0.00004   2.09954
   A136       2.10353  -0.00001  -0.00010   0.00000  -0.00009   2.10344
   A137       2.10335   0.00001  -0.00002   0.00011   0.00009   2.10343
   A138       2.09242  -0.00003  -0.00010  -0.00006  -0.00017   2.09225
   A139       2.08741   0.00002   0.00013  -0.00004   0.00008   2.08750
   A140       2.11908  -0.00001  -0.00002  -0.00004  -0.00006   2.11902
   A141       2.08814   0.00001   0.00012  -0.00005   0.00007   2.08820
   A142       2.07597   0.00000  -0.00011   0.00010  -0.00001   2.07596
   A143       2.05710  -0.00003   0.00006  -0.00022  -0.00016   2.05694
   A144       2.12053   0.00000   0.00003   0.00001   0.00004   2.12057
   A145       2.10554   0.00003  -0.00009   0.00020   0.00011   2.10565
   A146       2.05501  -0.00005   0.00008  -0.00029  -0.00021   2.05480
   A147       2.11964   0.00001   0.00007  -0.00003   0.00004   2.11969
   A148       2.10846   0.00005  -0.00015   0.00032   0.00017   2.10863
   A149       2.12024  -0.00002   0.00002  -0.00007  -0.00005   2.12019
   A150       2.07695   0.00005   0.00015   0.00006   0.00021   2.07716
   A151       2.08599  -0.00003  -0.00017   0.00001  -0.00016   2.08583
   A152       2.10346   0.00002  -0.00006   0.00020   0.00014   2.10360
   A153       2.08754  -0.00001   0.00003  -0.00011  -0.00009   2.08745
   A154       2.09215  -0.00002   0.00003  -0.00009  -0.00005   2.09210
   A155       2.07957  -0.00005  -0.00004  -0.00004  -0.00009   2.07948
   A156       2.10017  -0.00000  -0.00008  -0.00004  -0.00012   2.10005
   A157       2.10342   0.00005   0.00013   0.00009   0.00021   2.10364
   A158       2.07995  -0.00000   0.00011  -0.00009   0.00002   2.07997
   A159       2.09992   0.00003   0.00008   0.00005   0.00013   2.10005
   A160       2.10331  -0.00003  -0.00019   0.00004  -0.00015   2.10316
   A161       2.10425  -0.00001  -0.00009   0.00007  -0.00002   2.10424
   A162       2.09157   0.00003   0.00018   0.00000   0.00018   2.09175
   A163       2.08735  -0.00002  -0.00008  -0.00008  -0.00016   2.08719
   A164       2.11955   0.00001   0.00006  -0.00000   0.00006   2.11961
   A165       2.08492   0.00003   0.00003   0.00008   0.00011   2.08503
   A166       2.07870  -0.00004  -0.00008  -0.00008  -0.00016   2.07854
   A167       2.05475  -0.00001   0.00012  -0.00017  -0.00005   2.05470
   A168       2.11760  -0.00000  -0.00008   0.00005  -0.00002   2.11758
   A169       2.11080   0.00001  -0.00005   0.00012   0.00007   2.11088
   A170       2.05412   0.00002   0.00027  -0.00019   0.00008   2.05419
   A171       2.11812  -0.00001  -0.00023   0.00007  -0.00017   2.11795
   A172       2.11095  -0.00001  -0.00003   0.00012   0.00009   2.11104
   A173       2.12001  -0.00001  -0.00011   0.00006  -0.00005   2.11996
   A174       2.07786   0.00002   0.00017  -0.00007   0.00010   2.07796
   A175       2.08532  -0.00001  -0.00006   0.00001  -0.00005   2.08527
   A176       2.10410   0.00002   0.00010   0.00001   0.00010   2.10420
   A177       2.08718  -0.00001  -0.00004   0.00001  -0.00003   2.08715
   A178       2.09190  -0.00001  -0.00006  -0.00002  -0.00008   2.09182
   A179       2.07978  -0.00003  -0.00010   0.00003  -0.00007   2.07971
   A180       2.09995   0.00005   0.00023  -0.00002   0.00021   2.10016
   A181       2.10345  -0.00002  -0.00013  -0.00002  -0.00014   2.10331
   A182       2.01044   0.00072   0.00556   0.00050   0.00606   2.01650
   A183       1.84667  -0.00024   0.00330  -0.00376  -0.00049   1.84619
   A184       1.72348  -0.00085  -0.00464   0.00098  -0.00366   1.71982
   A185       2.02942  -0.00040  -0.00153  -0.00250  -0.00405   2.02537
   A186       2.03085   0.00065  -0.00066   0.00472   0.00405   2.03490
   A187       1.78384  -0.00005  -0.00289   0.00007  -0.00281   1.78103
   A188       2.12112   0.00054  -0.00210   0.00702   0.00493   2.12605
   A189       2.07016   0.00035  -0.01079   0.00272  -0.00807   2.06209
   A190       1.89832  -0.00029   0.00331  -0.00379  -0.00048   1.89784
   A191       1.89904   0.00077  -0.00622   0.01360   0.00738   1.90642
   A192       1.84898  -0.00018   0.00208  -0.00203   0.00005   1.84903
   A193       1.95282  -0.00038  -0.00022  -0.00272  -0.00294   1.94988
   A194       1.95400   0.00020   0.00004  -0.00117  -0.00115   1.95285
   A195       1.90706  -0.00008   0.00092  -0.00330  -0.00239   1.90467
   A196       1.90715   0.00004   0.00107  -0.00060   0.00047   1.90762
   A197       1.94124  -0.00002  -0.00130   0.00096  -0.00033   1.94091
   A198       1.93211   0.00001   0.00094  -0.00036   0.00058   1.93269
   A199       1.89157  -0.00001   0.00020  -0.00011   0.00009   1.89166
   A200       1.88875   0.00003  -0.00010   0.00073   0.00063   1.88938
   A201       1.90183  -0.00005  -0.00080  -0.00062  -0.00142   1.90041
   A202       1.91388   0.00030   0.00041   0.00284   0.00324   1.91712
   A203       1.84434  -0.00012  -0.00080  -0.00309  -0.00389   1.84045
   A204       1.91891  -0.00009   0.00113  -0.00049   0.00064   1.91955
   A205       1.95450  -0.00011   0.00044  -0.00019   0.00025   1.95475
   A206       1.94033   0.00000  -0.00095   0.00032  -0.00063   1.93970
   A207       1.88935   0.00001  -0.00019   0.00041   0.00022   1.88957
   A208       1.91631   0.00004  -0.00019   0.00091   0.00072   1.91704
   A209       1.92655   0.00007  -0.00104  -0.00001  -0.00105   1.92550
   A210       1.93383  -0.00008   0.00035  -0.00043  -0.00009   1.93375
   A211       1.89317  -0.00004   0.00010  -0.00058  -0.00048   1.89269
   A212       1.89079   0.00002   0.00015  -0.00009   0.00006   1.89085
   A213       1.90233  -0.00001   0.00065   0.00020   0.00085   1.90318
   A214       2.31920  -0.00063  -0.00813   0.00095  -0.00717   2.31203
    D1       -0.00058  -0.00003  -0.00047  -0.00061  -0.00107  -0.00166
    D2        3.11348   0.00004  -0.00151   0.00187   0.00037   3.11385
    D3        3.13491  -0.00006  -0.00066  -0.00151  -0.00217   3.13273
    D4       -0.03422   0.00001  -0.00170   0.00097  -0.00073  -0.03495
    D5       -0.03850   0.00004  -0.00042   0.00127   0.00085  -0.03764
    D6        3.10700   0.00001  -0.00010   0.00028   0.00017   3.10717
    D7        3.10922   0.00007  -0.00022   0.00218   0.00196   3.11117
    D8       -0.02847   0.00004   0.00009   0.00118   0.00127  -0.02720
    D9        2.26957  -0.00002   0.00131  -0.00265  -0.00134   2.26823
   D10       -0.87293  -0.00002   0.00338  -0.00263   0.00076  -0.87217
   D11       -0.87817  -0.00005   0.00111  -0.00355  -0.00244  -0.88061
   D12        2.26252  -0.00005   0.00319  -0.00353  -0.00035   2.26217
   D13        0.05592  -0.00003   0.00113  -0.00104   0.00010   0.05602
   D14       -2.99318   0.00003   0.00042   0.00041   0.00086  -2.99233
   D15       -3.05761  -0.00010   0.00219  -0.00358  -0.00139  -3.05900
   D16        0.17647  -0.00004   0.00148  -0.00213  -0.00063   0.17584
   D17       -0.07254   0.00007  -0.00092   0.00199   0.00107  -0.07147
   D18        3.04346  -0.00002  -0.00079  -0.00022  -0.00100   3.04246
   D19        2.98074   0.00002  -0.00020   0.00061   0.00040   2.98114
   D20       -0.18645  -0.00007  -0.00006  -0.00160  -0.00167  -0.18811
   D21       -2.92225   0.00001   0.00554  -0.00037   0.00517  -2.91708
   D22        0.33696   0.00006   0.00641  -0.00113   0.00528   0.34224
   D23        0.31112   0.00009   0.00485   0.00105   0.00592   0.31704
   D24       -2.71285   0.00013   0.00572   0.00029   0.00603  -2.70683
   D25        0.03454  -0.00005   0.00007  -0.00137  -0.00130   0.03325
   D26       -3.11084  -0.00003   0.00074  -0.00115  -0.00041  -3.11125
   D27       -3.08144   0.00004  -0.00006   0.00085   0.00079  -3.08065
   D28        0.05636   0.00006   0.00061   0.00107   0.00168   0.05803
   D29       -0.35828   0.00007  -0.00570   0.00034  -0.00539  -0.36366
   D30        2.85114   0.00011  -0.00068  -0.00063  -0.00136   2.84979
   D31        2.75762  -0.00003  -0.00557  -0.00187  -0.00746   2.75016
   D32       -0.31615   0.00002  -0.00055  -0.00284  -0.00343  -0.31958
   D33        0.02143  -0.00000   0.00063  -0.00029   0.00033   0.02176
   D34       -3.12410   0.00003   0.00031   0.00071   0.00102  -3.12308
   D35       -3.11628  -0.00002  -0.00006  -0.00052  -0.00058  -3.11686
   D36        0.02137   0.00001  -0.00038   0.00049   0.00011   0.02148
   D37        0.12657  -0.00001  -0.00333   0.00097  -0.00235   0.12422
   D38       -2.91934   0.00010  -0.00082  -0.00035  -0.00117  -2.92051
   D39       -3.13102  -0.00006  -0.00423   0.00166  -0.00256  -3.13358
   D40        0.10626   0.00004  -0.00172   0.00035  -0.00138   0.10488
   D41        2.97495  -0.00006   0.00058   0.00130   0.00187   2.97682
   D42       -0.13016  -0.00004   0.00296   0.00044   0.00339  -0.12677
   D43       -0.05016  -0.00001   0.00149   0.00053   0.00202  -0.04814
   D44        3.12792   0.00000   0.00387  -0.00033   0.00354   3.13146
   D45       -0.64220   0.00011  -0.00118  -0.00204  -0.00320  -0.64540
   D46       -3.03789   0.00020   0.01120  -0.00076   0.01038  -3.02751
   D47        2.39975  -0.00001  -0.00381  -0.00073  -0.00450   2.39525
   D48        0.00406   0.00008   0.00857   0.00055   0.00907   0.01313
   D49       -0.08419  -0.00004   0.00066  -0.00030   0.00036  -0.08383
   D50        2.99582  -0.00001  -0.00233   0.00289   0.00057   2.99639
   D51       -3.12608   0.00007   0.00321  -0.00158   0.00161  -3.12446
   D52       -0.04607   0.00010   0.00022   0.00161   0.00182  -0.04425
   D53        0.75247  -0.00007   0.00554   0.00160   0.00712   0.75959
   D54       -2.46055  -0.00017   0.00010   0.00264   0.00270  -2.45785
   D55       -3.11754   0.00002  -0.00694   0.00020  -0.00670  -3.12424
   D56       -0.04737  -0.00007  -0.01238   0.00125  -0.01112  -0.05849
   D57        2.42378  -0.00019  -0.00830  -0.00449  -0.01277   2.41101
   D58       -1.08899  -0.00005  -0.00155  -0.01658  -0.01806  -1.10704
   D59        0.05878  -0.00007   0.00491  -0.00294   0.00193   0.06072
   D60        2.82920   0.00006   0.01167  -0.01503  -0.00335   2.82585
   D61        3.09044   0.00006   0.00357   0.00236   0.00596   3.09640
   D62        0.02255   0.00013   0.00914   0.00130   0.01047   0.03302
   D63       -0.03126  -0.00004  -0.00021  -0.00142  -0.00163  -0.03288
   D64       -3.12935  -0.00005   0.00047  -0.00174  -0.00126  -3.13061
   D65        3.07446  -0.00005  -0.00254  -0.00060  -0.00314   3.07132
   D66       -0.02363  -0.00007  -0.00186  -0.00092  -0.00278  -0.02641
   D67        0.05519   0.00004  -0.00090   0.00144   0.00054   0.05573
   D68       -3.05364  -0.00003  -0.00086  -0.00082  -0.00168  -3.05531
   D69       -3.13005   0.00007  -0.00156   0.00175   0.00019  -3.12987
   D70        0.04430  -0.00000  -0.00152  -0.00051  -0.00203   0.04228
   D71       -2.24611   0.00002   0.00420   0.00118   0.00539  -2.24072
   D72        0.89655  -0.00003   0.00198  -0.00131   0.00067   0.89722
   D73        0.93955   0.00001   0.00490   0.00087   0.00577   0.94533
   D74       -2.20097  -0.00004   0.00268  -0.00163   0.00105  -2.19992
   D75        0.00307  -0.00000   0.00067  -0.00058   0.00008   0.00315
   D76       -3.07818  -0.00004   0.00353  -0.00369  -0.00017  -3.07835
   D77        3.11174   0.00007   0.00062   0.00168   0.00230   3.11404
   D78        0.03049   0.00002   0.00349  -0.00143   0.00205   0.03254
   D79       -0.05018   0.00012   0.00427   0.00227   0.00652  -0.04365
   D80        3.13654   0.00021   0.00680   0.00191   0.00868  -3.13797
   D81       -2.81568   0.00009  -0.00408   0.01682   0.01278  -2.80290
   D82        0.37103   0.00018  -0.00155   0.01645   0.01494   0.38597
   D83        0.15809  -0.00015   0.00281   0.00057   0.00339   0.16148
   D84       -2.10931   0.00004  -0.00210   0.00674   0.00462  -2.10470
   D85        2.33395   0.00044   0.00172   0.00723   0.00895   2.34290
   D86        2.92834  -0.00011   0.01004  -0.01204  -0.00197   2.92637
   D87        0.66094   0.00008   0.00513  -0.00586  -0.00074   0.66019
   D88       -1.17899   0.00047   0.00895  -0.00537   0.00359  -1.17540
   D89        0.02444  -0.00006  -0.00824   0.00033  -0.00790   0.01654
   D90       -3.09692  -0.00005  -0.00379  -0.00136  -0.00514  -3.10206
   D91        3.12317  -0.00010  -0.01060   0.00076  -0.00984   3.11334
   D92        0.00182  -0.00009  -0.00615  -0.00093  -0.00707  -0.00526
   D93        3.11576   0.00005   0.00349   0.00194   0.00543   3.12119
   D94       -0.02778  -0.00001   0.00495   0.00143   0.00638  -0.02140
   D95        0.01887   0.00012   0.00595   0.00157   0.00750   0.02637
   D96       -3.12467   0.00006   0.00740   0.00106   0.00845  -3.11622
   D97       -0.01044  -0.00006   0.00146  -0.00214  -0.00067  -0.01110
   D98        3.11159  -0.00007  -0.00283  -0.00048  -0.00329   3.10831
   D99       -0.01984   0.00001   0.00248  -0.00009   0.00239  -0.01745
   D100       3.11144   0.00006   0.00051   0.00182   0.00233   3.11378
   D101       3.14085   0.00002   0.00668  -0.00171   0.00497  -3.13736
   D102      -0.01105   0.00007   0.00471   0.00020   0.00491  -0.00613
   D103      -0.02220  -0.00008  -0.00204  -0.00119  -0.00324  -0.02543
   D104       3.11390  -0.00003  -0.00154   0.00003  -0.00151   3.11240
   D105       3.12130  -0.00002  -0.00347  -0.00070  -0.00417   3.11713
   D106      -0.02579   0.00002  -0.00296   0.00053  -0.00244  -0.02822
   D107       0.00404  -0.00001  -0.00179   0.00012  -0.00168   0.00236
   D108      -3.13757  -0.00001   0.00062  -0.00074  -0.00012  -3.13769
   D109      -3.13205  -0.00006  -0.00230  -0.00111  -0.00342  -3.13546
   D110       0.00953  -0.00006   0.00011  -0.00197  -0.00186   0.00767
   D111       0.01681   0.00003   0.00153   0.00051   0.00204   0.01885
   D112      -3.11405  -0.00002   0.00358  -0.00150   0.00208  -3.11197
   D113      -3.12476   0.00004  -0.00089   0.00137   0.00048  -3.12428
   D114       0.02756  -0.00001   0.00115  -0.00064   0.00052   0.02808
   D115      -2.17775   0.00004   0.00181   0.00160   0.00340  -2.17435
   D116       0.93356   0.00010   0.00304   0.00389   0.00693   0.94049
   D117       0.96382   0.00003   0.00428   0.00072   0.00500   0.96882
   D118      -2.20805   0.00009   0.00551   0.00301   0.00852  -2.19953
   D119       3.13764   0.00004   0.00137   0.00094   0.00231   3.13994
   D120      -0.04856   0.00006   0.00146   0.00119   0.00266  -0.04590
   D121      -0.00319   0.00004  -0.00040   0.00092   0.00052  -0.00267
   D122       3.09380   0.00006  -0.00030   0.00118   0.00087   3.09468
   D123      -3.13687  -0.00003  -0.00139  -0.00072  -0.00211  -3.13898
   D124      -0.03286  -0.00000  -0.00025  -0.00070  -0.00095  -0.03381
   D125       0.00395  -0.00003   0.00038  -0.00070  -0.00032   0.00364
   D126       3.10796  -0.00001   0.00152  -0.00068   0.00083   3.10880
   D127       3.13891  -0.00005  -0.00240  -0.00106  -0.00346   3.13545
   D128       0.03735  -0.00007  -0.00349  -0.00173  -0.00521   0.03214
   D129      -0.00359  -0.00001  -0.00051   0.00106   0.00055  -0.00303
   D130      -3.10515  -0.00002  -0.00160   0.00040  -0.00120  -3.10634
   D131      -3.14021   0.00005   0.00241   0.00116   0.00357  -3.13665
   D132       0.04581   0.00002   0.00221   0.00060   0.00281   0.04862
   D133       0.00229   0.00001   0.00050  -0.00098  -0.00048   0.00181
   D134      -3.09487  -0.00002   0.00031  -0.00154  -0.00123  -3.09611
   D135       3.11565   0.00005   0.00095   0.00171   0.00266   3.11831
   D136       0.00260   0.00006   0.00040   0.00187   0.00226   0.00486
   D137      -0.00005  -0.00000  -0.00010  -0.00025  -0.00035  -0.00041
   D138      -3.11311   0.00000  -0.00065  -0.00010  -0.00075  -3.11386
   D139      -3.11657  -0.00006  -0.00097  -0.00176  -0.00274  -3.11931
   D140       0.06004  -0.00007  -0.00144  -0.00236  -0.00380   0.05623
   D141      -0.00084   0.00000   0.00007   0.00019   0.00027  -0.00058
   D142      -3.10743  -0.00002  -0.00039  -0.00040  -0.00080  -3.10822
   D143       0.00345   0.00001   0.00032  -0.00073  -0.00041   0.00304
   D144      -3.12686   0.00000  -0.00043  -0.00063  -0.00105  -3.12791
   D145       3.10870   0.00002   0.00131  -0.00013   0.00117   3.10987
   D146      -0.02161   0.00001   0.00056  -0.00003   0.00053  -0.02108
   D147       3.11793   0.00001   0.00065   0.00092   0.00157   3.11950
   D148      -0.01328   0.00002   0.00040   0.00108   0.00148  -0.01180
   D149       0.02084  -0.00000  -0.00056   0.00019  -0.00037   0.02047
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   D151      -0.00201   0.00000  -0.00001   0.00013   0.00012  -0.00189
   D152       3.12474  -0.00001  -0.00015  -0.00013  -0.00028   3.12446
   D153       3.12603   0.00001   0.00088   0.00000   0.00089   3.12692
   D154      -0.03040  -0.00001   0.00074  -0.00026   0.00048  -0.02992
   D155       0.00630  -0.00000  -0.00008   0.00001  -0.00007   0.00623
   D156      -3.14139  -0.00000   0.00030  -0.00014   0.00016  -3.14123
   D157      -3.12040  -0.00001  -0.00107   0.00015  -0.00092  -3.12131
   D158       0.01510  -0.00001  -0.00068  -0.00000  -0.00069   0.01441
   D159      -0.00015  -0.00001  -0.00030   0.00052   0.00022   0.00007
   D160       3.10128   0.00003  -0.00011   0.00101   0.00089   3.10218
   D161      -3.12937   0.00001  -0.00018   0.00073   0.00055  -3.12882
   D162      -0.02794   0.00004   0.00000   0.00122   0.00123  -0.02671
   D163      -3.11541  -0.00002   0.00014  -0.00076  -0.00063  -3.11603
   D164       0.01811   0.00002   0.00029   0.00032   0.00061   0.01872
   D165       0.00987  -0.00004  -0.00002  -0.00105  -0.00107   0.00880
   D166      -3.13980   0.00000   0.00014   0.00003   0.00017  -3.13963
   D167       3.11720   0.00004   0.00047   0.00035   0.00082   3.11802
   D168      -0.00645  -0.00004  -0.00088  -0.00163  -0.00251  -0.00897
   D169       0.02493  -0.00000   0.00025  -0.00027  -0.00002   0.02491
   D170      -3.09872  -0.00008  -0.00111  -0.00225  -0.00335  -3.10208
   D171       0.00121  -0.00003   0.00026  -0.00078  -0.00051   0.00069
   D172       3.12552   0.00001   0.00005   0.00020   0.00025   3.12577
   D173      -3.10008  -0.00004   0.00017  -0.00099  -0.00082  -3.10090
   D174       0.02423  -0.00000  -0.00005  -0.00001  -0.00006   0.02417
   D175      -3.11551  -0.00002  -0.00017  -0.00042  -0.00060  -3.11610
   D176       0.01361   0.00000  -0.00031   0.00008  -0.00023   0.01338
   D177      -0.02339  -0.00001  -0.00006  -0.00016  -0.00022  -0.02361
   D178       3.10573   0.00002  -0.00020   0.00034   0.00014   3.10588
   D179       0.00119   0.00001  -0.00003   0.00034   0.00031   0.00151
   D180      -3.12919   0.00000  -0.00030   0.00020  -0.00010  -3.12929
   D181      -3.11972  -0.00003   0.00022  -0.00081  -0.00059  -3.12031
   D182       0.03308  -0.00004  -0.00005  -0.00095  -0.00100   0.03208
   D183      -0.00724   0.00001   0.00017   0.00010   0.00027  -0.00697
   D184       3.14121  -0.00000   0.00011  -0.00016  -0.00005   3.14115
   D185       3.11161   0.00006  -0.00011   0.00137   0.00126   3.11287
   D186      -0.02313   0.00004  -0.00017   0.00112   0.00094  -0.02219
   D187      -0.00317   0.00001  -0.00022   0.00022   0.00000  -0.00317
   D188      -3.11088  -0.00001  -0.00124   0.00022  -0.00102  -3.11191
   D189       3.12906   0.00002   0.00001   0.00034   0.00035   3.12941
   D190       0.02134   0.00000  -0.00101   0.00034  -0.00068   0.02067
   D191       3.12573  -0.00001   0.00083  -0.00056   0.00027   3.12601
   D192      -0.01324   0.00001   0.00074   0.00001   0.00076  -0.01249
   D193      -0.00352  -0.00002   0.00053  -0.00072  -0.00018  -0.00371
   D194       3.14069  -0.00000   0.00044  -0.00014   0.00030   3.14099
   D195      -3.12410  -0.00000  -0.00048   0.00041  -0.00007  -3.12417
   D196       0.01123  -0.00002  -0.00034  -0.00062  -0.00096   0.01028
   D197      -0.02416   0.00002   0.00078   0.00042   0.00120  -0.02296
   D198       3.11117   0.00000   0.00092  -0.00061   0.00031   3.11148
   D199       0.00090   0.00001   0.00009   0.00021   0.00030   0.00120
   D200      -3.13066  -0.00001  -0.00019  -0.00013  -0.00032  -3.13098
   D201       3.11664  -0.00000   0.00059   0.00006   0.00066   3.11729
   D202      -0.01492  -0.00002   0.00032  -0.00028   0.00004  -0.01488
   D203       3.12493  -0.00002   0.00020  -0.00048  -0.00028   3.12465
   D204      -0.01312  -0.00000  -0.00000  -0.00008  -0.00008  -0.01320
   D205       0.01504  -0.00002  -0.00042  -0.00031  -0.00073   0.01431
   D206      -3.12301   0.00000  -0.00062   0.00010  -0.00053  -3.12354
   D207      -0.00139  -0.00001  -0.00004  -0.00009  -0.00013  -0.00153
   D208       3.12485   0.00002   0.00009   0.00065   0.00074   3.12559
   D209       3.12815   0.00001   0.00029   0.00032   0.00061   3.12875
   D210      -0.02879   0.00004   0.00042   0.00106   0.00148  -0.02732
   D211       0.00343   0.00005   0.00006   0.00087   0.00094   0.00436
   D212      -3.14109   0.00001   0.00001   0.00019   0.00020  -3.14089
   D213      -3.12492   0.00003  -0.00030   0.00042   0.00013  -3.12479
   D214       0.01375  -0.00001  -0.00035  -0.00026  -0.00061   0.01314
   D215       0.00138   0.00000  -0.00002  -0.00006  -0.00008   0.00131
   D216       3.11126   0.00002   0.00041   0.00047   0.00088   3.11214
   D217      -3.12743  -0.00002  -0.00013  -0.00068  -0.00081  -3.12824
   D218      -0.01756  -0.00001   0.00030  -0.00015   0.00016  -0.01740
   D219      -3.12005  -0.00003  -0.00022  -0.00065  -0.00088  -3.12093
   D220       0.01727  -0.00004  -0.00045  -0.00088  -0.00133   0.01594
   D221       0.00466   0.00001  -0.00008   0.00016   0.00008   0.00475
   D222      -3.14120  -0.00001  -0.00031  -0.00007  -0.00038  -3.14158
   D223       3.12047   0.00002   0.00018   0.00063   0.00081   3.12128
   D224      -0.01276   0.00002   0.00020   0.00061   0.00081  -0.01195
   D225       0.01775  -0.00000  -0.00034  -0.00003  -0.00037   0.01738
   D226      -3.11548   0.00000  -0.00032  -0.00005  -0.00037  -3.11586
   D227       0.00996   0.00000  -0.00021  -0.00004  -0.00025   0.00970
   D228      -3.14150   0.00004   0.00018   0.00087   0.00106  -3.14045
   D229      -3.12355  -0.00004  -0.00037  -0.00113  -0.00150  -3.12504
   D230       0.00818  -0.00001   0.00002  -0.00021  -0.00019   0.00800
   D231      -0.01283   0.00004   0.00048   0.00102   0.00150  -0.01133
   D232       3.11866   0.00007   0.00003   0.00199   0.00202   3.12067
   D233       3.13860   0.00000   0.00009   0.00011   0.00019   3.13879
   D234      -0.01310   0.00003  -0.00036   0.00108   0.00071  -0.01239
   D235      -0.00464  -0.00004  -0.00049  -0.00085  -0.00133  -0.00598
   D236       3.11911   0.00004   0.00086   0.00112   0.00198   3.12109
   D237      -3.13617  -0.00007  -0.00004  -0.00181  -0.00185  -3.13802
   D238      -0.01242   0.00001   0.00131   0.00015   0.00146  -0.01095
   D239      -0.00543  -0.00002   0.00010  -0.00034  -0.00024  -0.00567
   D240       3.14146  -0.00001  -0.00008  -0.00006  -0.00014   3.14132
   D241       3.12583  -0.00002   0.00035  -0.00050  -0.00015   3.12567
   D242      -0.01047  -0.00001   0.00017  -0.00022  -0.00005  -0.01052
   D243      -0.00933   0.00003   0.00036   0.00034   0.00070  -0.00863
   D244       3.14045   0.00001   0.00008   0.00017   0.00025   3.14070
   D245       3.12694   0.00001   0.00054   0.00006   0.00060   3.12754
   D246      -0.00646  -0.00001   0.00026  -0.00011   0.00014  -0.00632
   D247       0.00873  -0.00002  -0.00037  -0.00016  -0.00053   0.00820
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   D249      -3.14108   0.00001  -0.00008   0.00000  -0.00008  -3.14115
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   D251      -0.01050   0.00002   0.00013   0.00035   0.00048  -0.01001
   D252       3.13563   0.00001   0.00004   0.00060   0.00064   3.13628
   D253       3.12847   0.00000   0.00022  -0.00022  -0.00000   3.12847
   D254      -0.00858  -0.00001   0.00013   0.00003   0.00016  -0.00843
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   D257      -3.13872   0.00001  -0.00027   0.00017  -0.00009  -3.13881
   D258      -0.00065   0.00003  -0.00116   0.00102  -0.00014  -0.00079
   D259       0.00989  -0.00003  -0.00010  -0.00080  -0.00090   0.00898
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   D261      -3.12821  -0.00004   0.00079  -0.00164  -0.00085  -3.12906
   D262       0.01958  -0.00002   0.00065  -0.00061   0.00003   0.01962
   D263       0.00630   0.00001   0.00005   0.00024   0.00030   0.00660
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   D265      -3.12290  -0.00002   0.00019  -0.00025  -0.00006  -3.12296
   D266       0.01356  -0.00002   0.00013  -0.00027  -0.00014   0.01342
   D267       0.01014  -0.00001   0.00007  -0.00017  -0.00010   0.01004
   D268      -3.14057   0.00002   0.00019   0.00034   0.00052  -3.14005
   D269      -3.12629  -0.00001   0.00013  -0.00015  -0.00003  -3.12632
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   D273       3.14124  -0.00003  -0.00030  -0.00051  -0.00081   3.14043
   D274      -0.00721  -0.00001  -0.00023  -0.00025  -0.00049  -0.00770
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   D276      -3.14041  -0.00001  -0.00023   0.00003  -0.00021  -3.14061
   D277      -3.13009   0.00002   0.00013   0.00022   0.00036  -3.12974
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   D280       3.13049  -0.00002   0.00009  -0.00015  -0.00005   3.13044
   D281       3.14074  -0.00000   0.00019  -0.00021  -0.00002   3.14072
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   D283      -0.00559   0.00001   0.00016   0.00019   0.00035  -0.00524
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   D285       3.14022   0.00002   0.00012   0.00016   0.00028   3.14050
   D286      -0.00970   0.00001   0.00011   0.00018   0.00029  -0.00941
   D287      -0.00413   0.00002   0.00015   0.00031   0.00045  -0.00367
   D288       3.13930   0.00001  -0.00020   0.00028   0.00007   3.13937
   D289       3.13394  -0.00000   0.00035  -0.00010   0.00025   3.13419
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   D293       3.13274   0.00002   0.00058   0.00032   0.00090   3.13364
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   D297      -3.13902  -0.00002  -0.00036  -0.00034  -0.00070  -3.13972
   D298       0.00550   0.00002  -0.00030   0.00035   0.00004   0.00554
   D299       1.72935   0.00077   0.01414  -0.00330   0.01083   1.74018
   D300      -0.52699   0.00031   0.00493   0.00122   0.00617  -0.52083
   D301      -2.75818  -0.00023   0.00912  -0.00330   0.00580  -2.75238
   D302       3.13717  -0.00032   0.08258  -0.00615   0.07644  -3.06957
   D303      -0.98464   0.00031   0.08584  -0.00241   0.08344  -0.90120
   D304       1.24564   0.00018   0.08113  -0.00249   0.07861   1.32426
   D305      -2.32450   0.00003  -0.00345  -0.00314  -0.00660  -2.33109
   D306      -0.19316  -0.00014  -0.00550  -0.00044  -0.00594  -0.19910
   D307       1.85538   0.00005  -0.00641   0.00140  -0.00501   1.85036
   D308       1.93609  -0.00020  -0.04124  -0.01857  -0.05980   1.87629
   D309      -2.23751  -0.00024  -0.04095  -0.01906  -0.06002  -2.29753
   D310      -0.20234  -0.00034  -0.04106  -0.02051  -0.06157  -0.26391
   D311      -3.07294   0.00029  -0.00283   0.00634   0.00351  -3.06943
   D312      -0.98533   0.00030  -0.00269   0.00641   0.00372  -0.98161
   D313       1.13174   0.00022  -0.00394   0.00603   0.00208   1.13382
   D314       1.11188  -0.00023   0.00286  -0.00640  -0.00353   1.10834
   D315      -3.08369  -0.00023   0.00300  -0.00633  -0.00332  -3.08702
   D316      -0.96663  -0.00030   0.00175  -0.00671  -0.00496  -0.97158
   D317      -1.03575   0.00000   0.00179   0.00080   0.00260  -1.03315
   D318       1.05187   0.00001   0.00193   0.00088   0.00281   1.05468
   D319      -3.11425  -0.00006   0.00068   0.00050   0.00117  -3.11307
   D320      -0.89432  -0.00002   0.02723   0.00238   0.02961  -0.86471
   D321       1.20363  -0.00011   0.02709   0.00496   0.03205   1.23568
   D322      -2.90556  -0.00018   0.02765  -0.00086   0.02680  -2.87876
   D323       3.08090  -0.00006   0.00151  -0.00203  -0.00052   3.08038
   D324      -1.11600  -0.00004   0.00086  -0.00218  -0.00132  -1.11732
   D325       0.99300  -0.00006   0.00122  -0.00222  -0.00100   0.99200
   D326       1.03934  -0.00003   0.00197   0.00011   0.00208   1.04142
   D327       3.12563  -0.00001   0.00132  -0.00004   0.00128   3.12691
   D328      -1.04856  -0.00003   0.00168  -0.00009   0.00159  -1.04697
   D329      -1.07663   0.00003   0.00258  -0.00051   0.00207  -1.07457
   D330       1.00965   0.00005   0.00193  -0.00066   0.00127   1.01092
   D331       3.11865   0.00003   0.00229  -0.00071   0.00158   3.12023
         Item               Value     Threshold  Converged?
 Maximum Force            0.001110     0.000450     NO 
 RMS     Force            0.000155     0.000300     YES
 Maximum Displacement     0.383210     0.001800     NO 
 RMS     Displacement     0.034898     0.001200     NO 
 Predicted change in Energy=-7.593718D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.603524    3.248284    0.106715
      2          6           0       -2.759940    1.868468    0.258269
      3          6           0       -1.654435    1.010241    0.216839
      4          6           0       -0.364498    1.564455    0.087357
      5          6           0       -0.215244    2.947380   -0.083663
      6          6           0       -1.320158    3.785512   -0.088162
      7          6           0       -1.786669   -0.458685    0.187667
      8          6           0       -0.654445   -1.278289    0.419611
      9          6           0        0.626599   -0.627407    0.850787
     10          6           0        0.821183    0.697287    0.166723
     11          6           0       -2.990636   -1.054706   -0.205653
     12          6           0       -3.082411   -2.429518   -0.428275
     13          6           0       -1.936319   -3.221042   -0.292636
     14          6           0       -0.744070   -2.644441    0.124001
     15          7           0        1.787130   -1.448071    0.940588
     16          6           0        3.035247   -0.946901    0.461638
     17          6           0        3.074884    0.332545   -0.138701
     18          7           0        1.953395    1.132902   -0.265956
     19          6           0        4.227235   -1.687635    0.506666
     20          6           0        5.413344   -1.165315    0.005717
     21          6           0        5.452617    0.104969   -0.587869
     22          6           0        4.274649    0.837526   -0.663335
     23          7           0       -3.735760    4.097102    0.141096
     24          7           0       -4.309070   -3.004500   -0.838324
     25          7           0        6.667879    0.626229   -1.100076
     26          6           0       -4.940697   -4.099083   -0.230161
     27          6           0       -6.148228   -4.373340   -0.919586
     28          6           0       -6.249991   -3.406283   -1.993130
     29          6           0       -5.101350   -2.578841   -1.914127
     30          6           0       -3.870914    5.254890    0.922721
     31          6           0       -5.143905    5.827973    0.677808
     32          6           0       -5.808608    4.982230   -0.291779
     33          6           0       -4.915850    3.924992   -0.599014
     34          6           0        7.250590    1.849245   -0.742769
     35          6           0        8.472300    1.999286   -1.446866
     36          6           0        8.633768    0.816229   -2.266244
     37          6           0        7.504731   -0.007778   -2.026611
     38          6           0       -7.191286   -3.185419   -3.004860
     39          6           0       -6.974396   -2.161373   -3.922011
     40          6           0       -5.819815   -1.364867   -3.842982
     41          6           0       -4.867647   -1.562345   -2.844734
     42          6           0       -4.555036   -4.833142    0.894607
     43          6           0       -5.390049   -5.869410    1.307015
     44          6           0       -6.582157   -6.166693    0.625231
     45          6           0       -6.968471   -5.420358   -0.483907
     46          6           0       -7.057264    5.037918   -0.921152
     47          6           0       -7.397045    4.052507   -1.843202
     48          6           0       -6.494797    3.020404   -2.149181
     49          6           0       -5.244562    2.944243   -1.538998
     50          6           0       -2.988865    5.807211    1.855657
     51          6           0       -3.390097    6.963226    2.521894
     52          6           0       -4.640143    7.555121    2.276054
     53          6           0       -5.522277    6.989389    1.360644
     54          6           0        9.611642    0.398457   -3.176272
     55          6           0        9.451731   -0.818058   -3.832958
     56          6           0        8.319693   -1.615473   -3.594254
     57          6           0        7.331297   -1.223505   -2.694035
     58          6           0        6.806556    2.812884    0.166591
     59          6           0        7.598744    3.944117    0.349659
     60          6           0        8.805921    4.115069   -0.348951
     61          6           0        9.248702    3.146074   -1.244116
     62          8           0        0.480024   -3.020604    2.768386
     63         15           0        1.777983   -2.757816    2.120682
     64          8           0        3.007702   -2.466986    3.103265
     65          8           0        2.365435   -3.926863    1.184582
     66          6           0        2.817521   -1.839000    4.414883
     67          6           0        3.850400   -0.744067    4.584508
     68          6           0        2.453864   -5.275977    1.739905
     69          6           0        1.394091   -6.161234    1.112906
     70          1           0       -3.753819    1.475515    0.433609
     71          1           0        0.784352    3.347005   -0.209619
     72          1           0       -1.201752    4.852779   -0.237866
     73          1           0       -3.868252   -0.444483   -0.378054
     74          1           0       -1.977022   -4.275597   -0.540709
     75          1           0        0.136684   -3.268371    0.161902
     76          1           0        4.243590   -2.677745    0.932966
     77          1           0        6.324383   -1.749148    0.078536
     78          1           0        4.244208    1.812234   -1.136089
     79          1           0       -8.076620   -3.810712   -3.075807
     80          1           0       -7.698037   -1.979830   -4.710559
     81          1           0       -5.657911   -0.582973   -4.579207
     82          1           0       -3.970783   -0.954399   -2.803903
     83          1           0       -3.644399   -4.601659    1.435726
     84          1           0       -5.112552   -6.455170    2.178335
     85          1           0       -7.209400   -6.981668    0.972886
     86          1           0       -7.896700   -5.642608   -1.002427
     87          1           0       -7.750146    5.842827   -0.693564
     88          1           0       -8.364695    4.082043   -2.334345
     89          1           0       -6.773193    2.260803   -2.873569
     90          1           0       -4.552065    2.150729   -1.795362
     91          1           0       -2.028871    5.349754    2.066187
     92          1           0       -2.720344    7.410714    3.250227
     93          1           0       -4.921199    8.456655    2.811512
     94          1           0       -6.494916    7.438586    1.181589
     95          1           0       10.481767    1.019263   -3.369769
     96          1           0       10.203940   -1.153176   -4.540354
     97          1           0        8.207902   -2.556750   -4.124356
     98          1           0        6.454795   -1.839318   -2.525296
     99          1           0        5.879873    2.686267    0.715118
    100          1           0        7.273589    4.708124    1.049657
    101          1           0        9.398323    5.009732   -0.184395
    102          1           0       10.186491    3.274907   -1.777020
    103          1           0        1.801130   -1.449092    4.482509
    104          1           0        2.944869   -2.637270    5.151390
    105          1           0        3.764684   -0.318309    5.589598
    106          1           0        4.864428   -1.134205    4.460538
    107          1           0        3.688250    0.056599    3.858631
    108          1           0        3.464709   -5.620573    1.508042
    109          1           0        2.344930   -5.240315    2.827650
    110          1           0        1.500219   -7.186561    1.482357
    111          1           0        0.395649   -5.801212    1.374002
    112          1           0        1.494768   -6.175707    0.024101
    113         17           0        0.290591    0.144227    2.788973
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351455           0.0181719           0.0142743
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10694.1597776604 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999999    0.000297    0.000126    0.001144 Ang=   0.14 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48594861     A.U. after   11 cycles
            NFock= 11  Conv=0.83D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047093    0.000011685    0.000002361
      2        6          -0.000022389    0.000096586    0.000145214
      3        6          -0.000171264   -0.000044697    0.000119322
      4        6           0.000026362    0.000326553   -0.000307449
      5        6           0.000111731   -0.000078110    0.000000665
      6        6          -0.000094155   -0.000037952   -0.000025740
      7        6          -0.000035564   -0.000004206    0.000050764
      8        6          -0.000051383    0.000095177    0.000385394
      9        6          -0.000189192   -0.000363893   -0.000692989
     10        6          -0.000261500   -0.000070581    0.000468658
     11        6           0.000020974   -0.000059324   -0.000106590
     12        6          -0.000095700    0.000066874   -0.000020233
     13        6          -0.000017719   -0.000037254    0.000033125
     14        6           0.000050341    0.000111699    0.000048448
     15        7          -0.000016192    0.001071512    0.000548057
     16        6          -0.000111680   -0.000131375   -0.000015015
     17        6          -0.000088878    0.000080873    0.000135611
     18        7           0.000372483    0.000153882   -0.000049117
     19        6          -0.000064026    0.000087750   -0.000216082
     20        6          -0.000004012   -0.000131052    0.000203145
     21        6          -0.000097635    0.000309171   -0.000242909
     22        6           0.000005755    0.000016351   -0.000149029
     23        7          -0.000047892    0.000076568    0.000018874
     24        7           0.000058409   -0.000150043   -0.000117232
     25        7           0.000156211   -0.000144197    0.000245078
     26        6           0.000058030    0.000041595    0.000050833
     27        6          -0.000005169    0.000003174    0.000011684
     28        6          -0.000025366    0.000044314    0.000051637
     29        6           0.000056738   -0.000006913    0.000000780
     30        6          -0.000068271   -0.000110422    0.000043207
     31        6          -0.000043553   -0.000096273    0.000069609
     32        6           0.000027381    0.000081163   -0.000046687
     33        6           0.000121329    0.000048350    0.000024092
     34        6          -0.000009806    0.000055393   -0.000038459
     35        6           0.000007772   -0.000083881    0.000078177
     36        6          -0.000066689    0.000074056   -0.000087917
     37        6          -0.000049305    0.000024126   -0.000171290
     38        6          -0.000000855   -0.000022155   -0.000039280
     39        6          -0.000009726   -0.000000857    0.000030665
     40        6           0.000031432   -0.000003062   -0.000054477
     41        6          -0.000014742   -0.000033730    0.000031957
     42        6          -0.000025032   -0.000049234   -0.000050958
     43        6           0.000008699   -0.000011402   -0.000011378
     44        6          -0.000034282    0.000034546    0.000014580
     45        6           0.000006567    0.000015594   -0.000012931
     46        6           0.000012971   -0.000055766   -0.000011484
     47        6          -0.000008367    0.000044642   -0.000027748
     48        6           0.000044137   -0.000052601    0.000048061
     49        6          -0.000009591   -0.000014399   -0.000051507
     50        6           0.000035370   -0.000045303   -0.000054877
     51        6           0.000049475   -0.000013985   -0.000024709
     52        6           0.000001140    0.000003392    0.000020555
     53        6           0.000009244    0.000053919   -0.000049236
     54        6           0.000012168   -0.000035237    0.000068750
     55        6           0.000010847    0.000023082   -0.000001384
     56        6           0.000031363   -0.000023748   -0.000004482
     57        6          -0.000001868    0.000000918    0.000089725
     58        6          -0.000002378   -0.000051514   -0.000009483
     59        6          -0.000007219    0.000032492    0.000020483
     60        6           0.000023503   -0.000058026    0.000036289
     61        6          -0.000008864    0.000056054   -0.000069324
     62        8           0.000014766   -0.000109786   -0.000545926
     63       15          -0.000545673   -0.000603541    0.000354764
     64        8           0.000416476    0.000589589   -0.000419105
     65        8           0.000068322   -0.000661396    0.000559007
     66        6          -0.000071990    0.000127036   -0.000053572
     67        6           0.000034752    0.000133470    0.000056644
     68        6           0.000037190   -0.000080371   -0.000350834
     69        6           0.000000838   -0.000095980    0.000180282
     70        1           0.000005498    0.000021822   -0.000082757
     71        1          -0.000034767   -0.000014388   -0.000000598
     72        1          -0.000026445   -0.000027326    0.000024493
     73        1           0.000048842    0.000011337    0.000072920
     74        1          -0.000000739   -0.000003978   -0.000017620
     75        1           0.000106216   -0.000045544    0.000106349
     76        1           0.000039549   -0.000225967    0.000260551
     77        1          -0.000033374   -0.000052492   -0.000052265
     78        1           0.000030407   -0.000012387    0.000046561
     79        1          -0.000005165    0.000025984   -0.000002626
     80        1           0.000011658   -0.000020606   -0.000007625
     81        1          -0.000030617    0.000021992    0.000028858
     82        1          -0.000032327   -0.000004988   -0.000010221
     83        1           0.000013747    0.000035428    0.000016888
     84        1           0.000008798    0.000018192   -0.000010249
     85        1           0.000008262   -0.000004586   -0.000007154
     86        1           0.000003132   -0.000004360    0.000013010
     87        1          -0.000031019    0.000009209    0.000007211
     88        1          -0.000002095   -0.000010629    0.000033764
     89        1           0.000008587    0.000038582   -0.000027720
     90        1          -0.000024899    0.000032175    0.000018874
     91        1          -0.000032165    0.000020146   -0.000032267
     92        1          -0.000024365    0.000009525    0.000004433
     93        1           0.000000120    0.000006140   -0.000010972
     94        1           0.000001133   -0.000009177    0.000014719
     95        1          -0.000009920   -0.000004585   -0.000022462
     96        1          -0.000004260   -0.000009157    0.000014207
     97        1          -0.000020770    0.000012371   -0.000002867
     98        1           0.000002375    0.000016355    0.000003943
     99        1           0.000005803    0.000002214    0.000000213
    100        1           0.000013578   -0.000002886   -0.000009639
    101        1          -0.000006018    0.000021204   -0.000007011
    102        1          -0.000015358    0.000006730    0.000019782
    103        1          -0.000134420   -0.000542293    0.000406029
    104        1          -0.000017882   -0.000009923   -0.000015290
    105        1           0.000025646    0.000016172    0.000004668
    106        1           0.000030424   -0.000020669   -0.000017299
    107        1          -0.000003805   -0.000053130   -0.000034901
    108        1          -0.000007472   -0.000120982   -0.000159473
    109        1           0.000186639    0.000160276   -0.000023483
    110        1           0.000032891    0.000027635   -0.000010002
    111        1          -0.000038243   -0.000068894    0.000020377
    112        1           0.000025797    0.000039459   -0.000028591
    113       17           0.000335072    0.000296684   -0.000641817
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001071512 RMS     0.000153636

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003819239 RMS     0.000236113
 Search for a local minimum.
 Step number  27 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   23   24   25   26   27
 DE= -5.21D-05 DEPred=-7.59D-05 R= 6.87D-01
 TightC=F SS=  1.41D+00  RLast= 1.95D-01 DXNew= 2.1488D+00 5.8448D-01
 Trust test= 6.87D-01 RLast= 1.95D-01 DXMaxT set to 1.28D+00
 ITU=  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1
 ITU=  1  1  0  0  0  1  0
     Eigenvalues ---    0.00296   0.00383   0.00706   0.00963   0.01139
     Eigenvalues ---    0.01300   0.01444   0.01871   0.02262   0.02442
     Eigenvalues ---    0.02486   0.02541   0.02554   0.02582   0.02595
     Eigenvalues ---    0.02605   0.02636   0.02650   0.02680   0.02685
     Eigenvalues ---    0.02699   0.02702   0.02713   0.02719   0.02748
     Eigenvalues ---    0.02753   0.02768   0.02777   0.02795   0.02800
     Eigenvalues ---    0.02802   0.02808   0.02812   0.02815   0.02828
     Eigenvalues ---    0.02835   0.02850   0.02861   0.02871   0.02875
     Eigenvalues ---    0.02877   0.02883   0.02890   0.02898   0.02900
     Eigenvalues ---    0.02905   0.02908   0.02915   0.02917   0.02918
     Eigenvalues ---    0.02926   0.02935   0.02940   0.02945   0.02949
     Eigenvalues ---    0.02950   0.02952   0.02955   0.02959   0.02962
     Eigenvalues ---    0.02964   0.02965   0.02968   0.02973   0.02976
     Eigenvalues ---    0.02987   0.02990   0.02993   0.02997   0.03001
     Eigenvalues ---    0.03019   0.03020   0.03030   0.03051   0.03058
     Eigenvalues ---    0.03059   0.03065   0.03077   0.03091   0.03096
     Eigenvalues ---    0.03101   0.03118   0.03130   0.03132   0.03141
     Eigenvalues ---    0.03164   0.03172   0.03176   0.03183   0.03225
     Eigenvalues ---    0.03235   0.03248   0.03276   0.03277   0.03341
     Eigenvalues ---    0.03446   0.03536   0.03925   0.05146   0.05263
     Eigenvalues ---    0.05564   0.05752   0.05769   0.05880   0.05919
     Eigenvalues ---    0.06147   0.06219   0.07323   0.08163   0.11483
     Eigenvalues ---    0.11634   0.12159   0.13202   0.13743   0.14116
     Eigenvalues ---    0.15209   0.15875   0.15920   0.15962   0.15984
     Eigenvalues ---    0.15993   0.15994   0.15996   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16005   0.16006   0.16012   0.16019
     Eigenvalues ---    0.16036   0.16061   0.16110   0.16171   0.18282
     Eigenvalues ---    0.19590   0.20779   0.21034   0.21815   0.21995
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22004   0.22099
     Eigenvalues ---    0.22284   0.22436   0.22483   0.22514   0.22596
     Eigenvalues ---    0.22600   0.22607   0.22618   0.22645   0.22670
     Eigenvalues ---    0.23342   0.23432   0.23474   0.23729   0.24036
     Eigenvalues ---    0.24344   0.24470   0.24486   0.24516   0.24522
     Eigenvalues ---    0.24529   0.24546   0.24643   0.24768   0.24888
     Eigenvalues ---    0.24913   0.24967   0.24974   0.24978   0.24982
     Eigenvalues ---    0.24986   0.24989   0.24992   0.25049   0.25100
     Eigenvalues ---    0.25225   0.25814   0.26076   0.26473   0.26952
     Eigenvalues ---    0.27164   0.28022   0.28738   0.28831   0.28996
     Eigenvalues ---    0.29247   0.29337   0.29644   0.29767   0.30222
     Eigenvalues ---    0.30491   0.30653   0.30722   0.30852   0.30954
     Eigenvalues ---    0.31133   0.31192   0.31269   0.31382   0.31470
     Eigenvalues ---    0.31539   0.31684   0.32135   0.32233   0.32540
     Eigenvalues ---    0.33017   0.33152   0.33577   0.33965   0.34039
     Eigenvalues ---    0.34146   0.34230   0.34497   0.34669   0.34937
     Eigenvalues ---    0.35155   0.35387   0.35501   0.35592   0.36280
     Eigenvalues ---    0.36401   0.36781   0.37135   0.37309   0.39041
     Eigenvalues ---    0.39731   0.41438   0.41553   0.42041   0.42332
     Eigenvalues ---    0.42760   0.43424   0.43551   0.45278   0.45864
     Eigenvalues ---    0.46802   0.47099   0.47108   0.47200   0.47686
     Eigenvalues ---    0.47907   0.49354   0.49883   0.50102   0.50463
     Eigenvalues ---    0.50583   0.50928   0.51535   0.51704   0.52063
     Eigenvalues ---    0.52124   0.52281   0.52654   0.53107   0.53226
     Eigenvalues ---    0.53381   0.53784   0.54293   0.54348   0.55020
     Eigenvalues ---    0.55275   0.55415   0.55618   0.55667   0.55981
     Eigenvalues ---    0.56173   0.56214   0.56456   0.56545   0.56723
     Eigenvalues ---    0.56931   0.57067   0.57175   0.57913   0.58231
     Eigenvalues ---    0.58269   0.58285   0.58322   0.58506   0.58627
     Eigenvalues ---    0.58877   0.58950   0.59425   0.59714   0.59810
     Eigenvalues ---    0.60055   0.60598   0.60868   0.61094   0.61889
     Eigenvalues ---    0.63054   0.63349   0.63617   0.64458   0.65195
     Eigenvalues ---    0.65927   0.66767   0.67804   0.68866   0.72081
     Eigenvalues ---    0.73129   0.74577   0.76998   0.80249   0.81299
     Eigenvalues ---    0.85527   0.99651   4.06382
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    27   26   25   24
 RFO step:  Lambda=-1.60749453D-04.
 DidBck=T Rises=F RFO-DIIS coefs:    0.58561    1.26357   -0.54213   -0.30705
 Iteration  1 RMS(Cart)=  0.01137084 RMS(Int)=  0.00005275
 Iteration  2 RMS(Cart)=  0.00008400 RMS(Int)=  0.00001257
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00001257
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63976  -0.00004  -0.00029   0.00004  -0.00025   2.63950
    R2        2.65479  -0.00008   0.00008  -0.00022  -0.00014   2.65465
    R3        2.67490  -0.00001   0.00050  -0.00005   0.00045   2.67536
    R4        2.64589   0.00005   0.00031  -0.00002   0.00029   2.64619
    R5        2.04663  -0.00003   0.00005  -0.00010  -0.00005   2.04657
    R6        2.66435   0.00027  -0.00036   0.00046   0.00007   2.66443
    R7        2.78764   0.00021  -0.00058  -0.00006  -0.00066   2.78698
    R8        2.64832  -0.00010   0.00019  -0.00013   0.00006   2.64837
    R9        2.77997   0.00015  -0.00009   0.00033   0.00024   2.78020
   R10        2.62074   0.00005  -0.00015   0.00020   0.00005   2.62080
   R11        2.04820  -0.00004   0.00003  -0.00004  -0.00000   2.04820
   R12        2.04884  -0.00003   0.00015  -0.00011   0.00003   2.04888
   R13        2.67747   0.00003   0.00021  -0.00004   0.00018   2.67764
   R14        2.64526   0.00006  -0.00003   0.00018   0.00015   2.64542
   R15        2.83499  -0.00036  -0.00163  -0.00083  -0.00245   2.83254
   R16        2.64682  -0.00013   0.00052  -0.00008   0.00044   2.64726
   R17        2.84127   0.00004  -0.00136   0.00062  -0.00070   2.84057
   R18        2.69138   0.00013  -0.00068  -0.00108  -0.00173   2.68965
   R19        2.43392   0.00040  -0.00001   0.00037   0.00035   2.43427
   R20        2.63757   0.00010  -0.00003  -0.00001  -0.00005   2.63752
   R21        2.04606  -0.00004   0.00001  -0.00008  -0.00006   2.04600
   R22        2.64456   0.00002   0.00027  -0.00000   0.00026   2.64482
   R23        2.67477  -0.00001  -0.00003   0.00004   0.00001   2.67478
   R24        2.62360  -0.00001  -0.00031  -0.00001  -0.00032   2.62328
   R25        2.04866   0.00001   0.00006  -0.00004   0.00002   2.04868
   R26        2.04095   0.00011   0.00006   0.00004   0.00010   2.04105
   R27        2.69798  -0.00034  -0.00003   0.00022   0.00020   2.69819
   R28        3.33157   0.00039   0.00384  -0.00171   0.00213   3.33370
   R29        2.67178   0.00005  -0.00011  -0.00007  -0.00020   2.67158
   R30        2.65340  -0.00007  -0.00054   0.00029  -0.00025   2.65315
   R31        2.61473  -0.00001   0.00023   0.00015   0.00035   2.61508
   R32        2.65214   0.00008   0.00008  -0.00030  -0.00021   2.65193
   R33        2.62572  -0.00007   0.00003   0.00018   0.00021   2.62593
   R34        2.03733   0.00030   0.00001  -0.00006  -0.00005   2.03728
   R35        2.65068   0.00025  -0.00022   0.00005  -0.00017   2.65051
   R36        2.04942  -0.00001   0.00000  -0.00001  -0.00001   2.04941
   R37        2.62525   0.00002   0.00017  -0.00011   0.00006   2.62531
   R38        2.67977  -0.00005   0.00042   0.00005   0.00047   2.68024
   R39        2.04796  -0.00003   0.00004  -0.00003   0.00001   2.04797
   R40        2.65214  -0.00013  -0.00002  -0.00026  -0.00028   2.65186
   R41        2.65236  -0.00010  -0.00030  -0.00022  -0.00052   2.65183
   R42        2.65029  -0.00007   0.00017  -0.00019  -0.00001   2.65027
   R43        2.64983   0.00000   0.00006   0.00001   0.00007   2.64989
   R44        2.64763  -0.00001  -0.00041  -0.00002  -0.00043   2.64720
   R45        2.64612  -0.00002  -0.00018   0.00010  -0.00008   2.64604
   R46        2.67825  -0.00001   0.00004   0.00001   0.00005   2.67830
   R47        2.64067  -0.00004   0.00004  -0.00008  -0.00005   2.64063
   R48        2.73720  -0.00001   0.00001   0.00009   0.00010   2.73730
   R49        2.64485  -0.00002   0.00002  -0.00006  -0.00003   2.64481
   R50        2.67933   0.00001  -0.00002   0.00002  -0.00001   2.67933
   R51        2.64455   0.00002   0.00004  -0.00001   0.00003   2.64458
   R52        2.64150  -0.00001   0.00011  -0.00011   0.00001   2.64151
   R53        2.67843  -0.00002   0.00012  -0.00003   0.00008   2.67851
   R54        2.64118  -0.00007   0.00015  -0.00021  -0.00006   2.64113
   R55        2.73665  -0.00002   0.00002   0.00012   0.00014   2.73679
   R56        2.64448   0.00001   0.00007  -0.00002   0.00005   2.64453
   R57        2.67859   0.00001   0.00011   0.00004   0.00015   2.67874
   R58        2.64450   0.00001   0.00003  -0.00004  -0.00001   2.64449
   R59        2.64122   0.00000  -0.00000  -0.00005  -0.00005   2.64117
   R60        2.67971  -0.00002   0.00017   0.00000   0.00017   2.67988
   R61        2.64069  -0.00002   0.00008  -0.00006   0.00002   2.64071
   R62        2.73657   0.00001   0.00001   0.00005   0.00006   2.73662
   R63        2.64496   0.00003  -0.00001   0.00003   0.00002   2.64498
   R64        2.67991  -0.00002   0.00009   0.00003   0.00011   2.68002
   R65        2.64489  -0.00002   0.00011  -0.00009   0.00002   2.64491
   R66        2.64124  -0.00007   0.00015  -0.00022  -0.00006   2.64118
   R67        2.62997  -0.00003   0.00005  -0.00002   0.00003   2.63000
   R68        2.05263  -0.00001   0.00003  -0.00004  -0.00001   2.05262
   R69        2.65486  -0.00001   0.00003  -0.00002   0.00000   2.65486
   R70        2.05139  -0.00001   0.00008  -0.00005   0.00002   2.05142
   R71        2.63352   0.00001   0.00000  -0.00001  -0.00000   2.63352
   R72        2.05242  -0.00000   0.00007  -0.00013  -0.00006   2.05236
   R73        2.04896  -0.00003   0.00005  -0.00005  -0.00000   2.04896
   R74        2.63288  -0.00003   0.00008  -0.00002   0.00006   2.63295
   R75        2.04898   0.00003   0.00021  -0.00011   0.00010   2.04908
   R76        2.65527   0.00000  -0.00002  -0.00001  -0.00003   2.65524
   R77        2.05217  -0.00001   0.00005  -0.00007  -0.00001   2.05216
   R78        2.62967  -0.00001   0.00007   0.00001   0.00008   2.62975
   R79        2.05145  -0.00000   0.00002  -0.00002   0.00000   2.05145
   R80        2.05265  -0.00001   0.00002  -0.00002   0.00000   2.05265
   R81        2.62982  -0.00002   0.00008  -0.00001   0.00007   2.62989
   R82        2.05256   0.00003   0.00011  -0.00010   0.00001   2.05257
   R83        2.65432   0.00002  -0.00002   0.00007   0.00005   2.65437
   R84        2.05141  -0.00001   0.00006  -0.00007  -0.00001   2.05140
   R85        2.63291  -0.00004   0.00005  -0.00002   0.00003   2.63294
   R86        2.05210  -0.00001   0.00010  -0.00010  -0.00000   2.05210
   R87        2.04836  -0.00004   0.00015  -0.00010   0.00005   2.04841
   R88        2.63292  -0.00001   0.00003  -0.00007  -0.00004   2.63288
   R89        2.04857  -0.00004   0.00012  -0.00006   0.00006   2.04863
   R90        2.65464   0.00002   0.00001   0.00014   0.00014   2.65478
   R91        2.05215  -0.00001   0.00003  -0.00003   0.00001   2.05215
   R92        2.62950   0.00001   0.00001   0.00003   0.00003   2.62953
   R93        2.05144  -0.00000   0.00000  -0.00001  -0.00000   2.05144
   R94        2.05265  -0.00000   0.00002  -0.00002   0.00001   2.05266
   R95        2.62986  -0.00000   0.00001  -0.00000   0.00001   2.62986
   R96        2.05273  -0.00001   0.00008  -0.00006   0.00001   2.05274
   R97        2.65529   0.00001   0.00001   0.00006   0.00007   2.65536
   R98        2.05149  -0.00001   0.00006  -0.00007  -0.00001   2.05148
   R99        2.63274   0.00000  -0.00001   0.00000  -0.00001   2.63273
   R100       2.05234  -0.00001   0.00006  -0.00008  -0.00001   2.05233
   R101       2.04925  -0.00001   0.00007  -0.00005   0.00002   2.04927
   R102       2.63260   0.00002   0.00001   0.00002   0.00002   2.63262
   R103       2.04899  -0.00001   0.00002   0.00003   0.00005   2.04903
   R104       2.65542  -0.00001   0.00003  -0.00000   0.00003   2.65545
   R105       2.05227  -0.00001   0.00002  -0.00002  -0.00000   2.05227
   R106       2.62959   0.00000   0.00002   0.00003   0.00005   2.62964
   R107       2.05141   0.00001  -0.00003   0.00004   0.00001   2.05143
   R108       2.05280  -0.00002   0.00007  -0.00009  -0.00002   2.05278
   R109       2.78584  -0.00023  -0.00019   0.00023   0.00004   2.78588
   R110       3.02490   0.00018  -0.00011   0.00003  -0.00008   3.02482
   R111       3.04009   0.00050  -0.00021   0.00081   0.00061   3.04069
   R112       2.77145  -0.00032  -0.00218   0.00086  -0.00132   2.77012
   R113       2.76205   0.00007   0.00008  -0.00013  -0.00005   2.76200
   R114       2.86248   0.00011  -0.00026   0.00044   0.00019   2.86266
   R115       2.06115  -0.00028  -0.00130   0.00148   0.00018   2.06133
   R116       2.06655  -0.00001   0.00044  -0.00030   0.00014   2.06668
   R117       2.06908   0.00001   0.00002   0.00003   0.00005   2.06912
   R118       2.06649   0.00004  -0.00005   0.00002  -0.00003   2.06646
   R119       2.06513  -0.00002   0.00014  -0.00015  -0.00001   2.06512
   R120       2.86587  -0.00002  -0.00020   0.00050   0.00030   2.86617
   R121       2.06518   0.00006  -0.00052   0.00038  -0.00014   2.06504
   R122       2.06692  -0.00004   0.00039  -0.00053  -0.00014   2.06678
   R123       2.06927  -0.00002   0.00011  -0.00015  -0.00004   2.06924
   R124       2.06549   0.00003  -0.00018   0.00015  -0.00003   2.06546
   R125       2.06650   0.00003   0.00014  -0.00019  -0.00005   2.06645
   R126       5.23984   0.00028  -0.01500   0.03418   0.01917   5.25902
    A1        2.08871   0.00003   0.00008   0.00032   0.00040   2.08912
    A2        2.09454  -0.00002   0.00006  -0.00006  -0.00000   2.09454
    A3        2.09991  -0.00001  -0.00014  -0.00026  -0.00040   2.09951
    A4        2.11045   0.00000   0.00011  -0.00027  -0.00017   2.11028
    A5        2.06998  -0.00001  -0.00043   0.00057   0.00014   2.07013
    A6        2.10246   0.00001   0.00030  -0.00028   0.00003   2.10248
    A7        2.07619  -0.00007  -0.00024   0.00000  -0.00023   2.07596
    A8        2.14144   0.00010  -0.00032   0.00027  -0.00003   2.14141
    A9        2.06192  -0.00003   0.00077  -0.00038   0.00036   2.06228
   A10        2.09040   0.00002   0.00007   0.00025   0.00032   2.09072
   A11        2.09524  -0.00008   0.00029  -0.00032  -0.00005   2.09520
   A12        2.09721   0.00006  -0.00031  -0.00001  -0.00030   2.09690
   A13        2.10821  -0.00004   0.00009  -0.00030  -0.00021   2.10800
   A14        2.06717   0.00002  -0.00023   0.00038   0.00015   2.06732
   A15        2.10781   0.00001   0.00013  -0.00008   0.00005   2.10786
   A16        2.09008   0.00005  -0.00021   0.00010  -0.00010   2.08998
   A17        2.08904  -0.00006   0.00004  -0.00023  -0.00019   2.08885
   A18        2.10406   0.00000   0.00017   0.00013   0.00030   2.10436
   A19        2.09573  -0.00004  -0.00006   0.00024   0.00016   2.09589
   A20        2.10208   0.00017   0.00049  -0.00039   0.00008   2.10217
   A21        2.07945  -0.00014  -0.00016   0.00007  -0.00008   2.07937
   A22        2.06968   0.00013   0.00049   0.00032   0.00081   2.07049
   A23        2.06979   0.00017   0.00003  -0.00005  -0.00002   2.06976
   A24        2.13942  -0.00031  -0.00039  -0.00046  -0.00088   2.13855
   A25        1.94121   0.00012   0.00242   0.00013   0.00245   1.94366
   A26        2.05323  -0.00000   0.00088   0.00006   0.00079   2.05402
   A27        2.01630  -0.00003   0.00136  -0.00047   0.00080   2.01710
   A28        2.02594   0.00005   0.00014   0.00064   0.00078   2.02672
   A29        2.08406   0.00006  -0.00012  -0.00058  -0.00074   2.08332
   A30        2.17074  -0.00010   0.00007  -0.00004   0.00004   2.17077
   A31        2.11855   0.00001   0.00011   0.00001   0.00012   2.11867
   A32        2.09662  -0.00006   0.00041  -0.00073  -0.00032   2.09629
   A33        2.06741   0.00005  -0.00054   0.00074   0.00020   2.06762
   A34        2.08038   0.00001   0.00019  -0.00021  -0.00002   2.08036
   A35        2.09824   0.00014  -0.00022   0.00068   0.00046   2.09870
   A36        2.10373  -0.00015  -0.00001  -0.00044  -0.00044   2.10328
   A37        2.09148  -0.00001  -0.00020   0.00023   0.00002   2.09150
   A38        2.09123   0.00000  -0.00004  -0.00018  -0.00022   2.09101
   A39        2.10007   0.00001   0.00022  -0.00001   0.00021   2.10028
   A40        2.12160  -0.00003   0.00012  -0.00007   0.00006   2.12166
   A41        2.09889  -0.00003  -0.00061   0.00035  -0.00026   2.09863
   A42        2.06112   0.00006   0.00037  -0.00018   0.00019   2.06131
   A43        2.08166   0.00009  -0.00127   0.00083  -0.00045   2.08121
   A44        2.05563   0.00009   0.00270  -0.00153   0.00107   2.05670
   A45        2.08274  -0.00018  -0.00133   0.00023  -0.00123   2.08151
   A46        2.07672   0.00007   0.00065  -0.00031   0.00035   2.07707
   A47        2.14861  -0.00022  -0.00172   0.00093  -0.00080   2.14781
   A48        2.05693   0.00015   0.00098  -0.00061   0.00035   2.05728
   A49        2.14097  -0.00001  -0.00003  -0.00010  -0.00016   2.14081
   A50        2.10401  -0.00005  -0.00071   0.00058  -0.00012   2.10388
   A51        2.03799   0.00006   0.00072  -0.00047   0.00026   2.03825
   A52        2.07827  -0.00002  -0.00054   0.00004  -0.00054   2.07773
   A53        2.11157  -0.00007  -0.00029   0.00022  -0.00008   2.11150
   A54        2.10603  -0.00001  -0.00094   0.00108   0.00014   2.10617
   A55        2.06558   0.00008   0.00123  -0.00130  -0.00007   2.06551
   A56        2.11403   0.00002  -0.00035  -0.00009  -0.00044   2.11358
   A57        2.08349  -0.00004   0.00036   0.00011   0.00047   2.08395
   A58        2.08567   0.00003  -0.00001  -0.00002  -0.00002   2.08564
   A59        2.06779   0.00000   0.00053  -0.00002   0.00050   2.06829
   A60        2.10567  -0.00005  -0.00028   0.00006  -0.00022   2.10545
   A61        2.10972   0.00005  -0.00024  -0.00004  -0.00028   2.10944
   A62        2.11160  -0.00004  -0.00013  -0.00011  -0.00025   2.11136
   A63        2.05180   0.00004  -0.00006   0.00087   0.00081   2.05261
   A64        2.11973   0.00000   0.00017  -0.00074  -0.00056   2.11917
   A65        2.19599   0.00000  -0.00014  -0.00006  -0.00020   2.19579
   A66        2.19714  -0.00001   0.00005  -0.00007  -0.00002   2.19712
   A67        1.89006   0.00001   0.00009   0.00013   0.00022   1.89028
   A68        2.19164  -0.00013   0.00022  -0.00041  -0.00021   2.19143
   A69        2.20013   0.00012  -0.00010   0.00027   0.00016   2.20029
   A70        1.89140   0.00002  -0.00010   0.00014   0.00004   1.89144
   A71        2.19590   0.00001   0.00010  -0.00009  -0.00000   2.19589
   A72        2.19535  -0.00002  -0.00019   0.00012  -0.00008   2.19526
   A73        1.89170   0.00001   0.00017  -0.00001   0.00015   1.89185
   A74        1.90055   0.00000   0.00004  -0.00007  -0.00003   1.90052
   A75        2.25846  -0.00001   0.00003  -0.00002  -0.00000   2.25845
   A76        2.12355   0.00001  -0.00005   0.00010   0.00005   2.12360
   A77        1.86627   0.00000  -0.00003   0.00004   0.00001   1.86628
   A78        2.08595  -0.00000   0.00004  -0.00006  -0.00003   2.08592
   A79        2.33090   0.00000  -0.00000   0.00002   0.00002   2.33092
   A80        1.86650  -0.00001   0.00003  -0.00005  -0.00001   1.86649
   A81        2.33015  -0.00001  -0.00001   0.00003   0.00002   2.33017
   A82        2.08644   0.00002  -0.00002   0.00001  -0.00001   2.08643
   A83        1.90004  -0.00002   0.00006  -0.00007  -0.00001   1.90003
   A84        2.26147   0.00005  -0.00009   0.00008  -0.00002   2.26145
   A85        2.12086  -0.00003   0.00001   0.00001   0.00002   2.12087
   A86        1.90055   0.00004  -0.00007   0.00003  -0.00004   1.90051
   A87        2.26137  -0.00009   0.00017  -0.00040  -0.00023   2.26114
   A88        2.12042   0.00005  -0.00009   0.00039   0.00030   2.12072
   A89        1.86690  -0.00003  -0.00000  -0.00008  -0.00008   1.86682
   A90        2.08759  -0.00002  -0.00001  -0.00017  -0.00017   2.08742
   A91        2.32853   0.00005  -0.00001   0.00028   0.00027   2.32880
   A92        1.86672  -0.00003  -0.00008  -0.00004  -0.00012   1.86661
   A93        2.32873   0.00004   0.00015   0.00016   0.00032   2.32904
   A94        2.08769  -0.00001  -0.00008  -0.00012  -0.00020   2.08749
   A95        1.90053   0.00002   0.00006  -0.00004   0.00002   1.90055
   A96        2.26323  -0.00001  -0.00012  -0.00012  -0.00025   2.26299
   A97        2.11885  -0.00000   0.00010   0.00016   0.00026   2.11911
   A98        1.90081  -0.00001   0.00000   0.00005   0.00006   1.90087
   A99        2.25979  -0.00002   0.00002  -0.00010  -0.00008   2.25971
   A100       2.12224   0.00002  -0.00000   0.00003   0.00002   2.12226
   A101       1.86562   0.00000  -0.00008  -0.00004  -0.00012   1.86550
   A102       2.08596  -0.00001  -0.00003  -0.00001  -0.00004   2.08592
   A103       2.33156   0.00001   0.00011   0.00005   0.00016   2.33172
   A104       1.86535  -0.00001  -0.00003   0.00003  -0.00001   1.86534
   A105       2.33180   0.00003   0.00008   0.00003   0.00010   2.33191
   A106       2.08595  -0.00003  -0.00005  -0.00004  -0.00009   2.08586
   A107       1.90131  -0.00000  -0.00005  -0.00003  -0.00008   1.90122
   A108       2.25963  -0.00004   0.00008  -0.00007   0.00001   2.25964
   A109       2.12175   0.00005  -0.00002   0.00012   0.00010   2.12185
   A110       2.08029  -0.00000  -0.00000  -0.00002  -0.00002   2.08027
   A111       2.09972   0.00002  -0.00007   0.00011   0.00004   2.09976
   A112       2.10315  -0.00002   0.00007  -0.00008  -0.00001   2.10314
   A113       2.10386   0.00000   0.00002   0.00001   0.00004   2.10390
   A114       2.09194  -0.00001   0.00004  -0.00005  -0.00001   2.09193
   A115       2.08735   0.00001  -0.00006   0.00004  -0.00003   2.08733
   A116       2.11936  -0.00001  -0.00003  -0.00001  -0.00003   2.11933
   A117       2.08580  -0.00000  -0.00001  -0.00001  -0.00002   2.08578
   A118       2.07799   0.00001   0.00003   0.00003   0.00005   2.07804
   A119       2.05522   0.00003  -0.00000   0.00002   0.00001   2.05524
   A120       2.11877   0.00001  -0.00011   0.00016   0.00005   2.11882
   A121       2.10909  -0.00003   0.00010  -0.00015  -0.00004   2.10905
   A122       2.05280   0.00000   0.00002  -0.00003  -0.00001   2.05279
   A123       2.11922  -0.00002   0.00010  -0.00009   0.00001   2.11923
   A124       2.11112   0.00002  -0.00012   0.00012   0.00000   2.11112
   A125       2.12023  -0.00000   0.00001  -0.00004  -0.00003   2.12021
   A126       2.07777  -0.00002   0.00012  -0.00018  -0.00006   2.07771
   A127       2.08517   0.00002  -0.00013   0.00022   0.00009   2.08526
   A128       2.10458  -0.00000  -0.00002   0.00005   0.00003   2.10462
   A129       2.08708  -0.00000   0.00004  -0.00004  -0.00001   2.08707
   A130       2.09150   0.00000  -0.00002  -0.00001  -0.00003   2.09147
   A131       2.07903  -0.00001   0.00000  -0.00001  -0.00001   2.07902
   A132       2.10051   0.00001  -0.00007   0.00013   0.00006   2.10057
   A133       2.10363  -0.00001   0.00007  -0.00012  -0.00005   2.10358
   A134       2.08020   0.00000  -0.00000   0.00002   0.00002   2.08022
   A135       2.09954   0.00001  -0.00002   0.00008   0.00006   2.09960
   A136       2.10344  -0.00001   0.00002  -0.00010  -0.00008   2.10336
   A137       2.10343   0.00000   0.00005   0.00004   0.00009   2.10352
   A138       2.09225  -0.00001   0.00006  -0.00015  -0.00009   2.09216
   A139       2.08750   0.00001  -0.00011   0.00011  -0.00000   2.08750
   A140       2.11902   0.00000  -0.00000  -0.00002  -0.00002   2.11900
   A141       2.08820  -0.00001  -0.00008  -0.00003  -0.00011   2.08809
   A142       2.07596   0.00001   0.00008   0.00005   0.00013   2.07609
   A143       2.05694   0.00001  -0.00004  -0.00009  -0.00013   2.05681
   A144       2.12057  -0.00001  -0.00017  -0.00002  -0.00019   2.12038
   A145       2.10565   0.00000   0.00022   0.00010   0.00032   2.10597
   A146       2.05480  -0.00001   0.00007  -0.00023  -0.00017   2.05463
   A147       2.11969  -0.00001  -0.00010   0.00001  -0.00009   2.11959
   A148       2.10863   0.00002   0.00003   0.00023   0.00026   2.10889
   A149       2.12019  -0.00001  -0.00000  -0.00000  -0.00001   2.12018
   A150       2.07716   0.00003  -0.00011   0.00021   0.00009   2.07725
   A151       2.08583  -0.00002   0.00012  -0.00020  -0.00009   2.08574
   A152       2.10360   0.00000  -0.00001   0.00011   0.00010   2.10370
   A153       2.08745   0.00000  -0.00003  -0.00004  -0.00007   2.08738
   A154       2.09210  -0.00001   0.00004  -0.00006  -0.00002   2.09207
   A155       2.07948  -0.00002   0.00006  -0.00010  -0.00004   2.07944
   A156       2.10005   0.00001   0.00002  -0.00002   0.00000   2.10005
   A157       2.10364   0.00000  -0.00007   0.00012   0.00004   2.10368
   A158       2.07997   0.00000   0.00004  -0.00003   0.00002   2.07998
   A159       2.10005   0.00001  -0.00011   0.00014   0.00003   2.10008
   A160       2.10316  -0.00002   0.00007  -0.00012  -0.00004   2.10311
   A161       2.10424   0.00000   0.00002   0.00001   0.00002   2.10426
   A162       2.09175   0.00000  -0.00005   0.00010   0.00005   2.09179
   A163       2.08719  -0.00001   0.00003  -0.00010  -0.00007   2.08712
   A164       2.11961  -0.00001   0.00000  -0.00001  -0.00001   2.11960
   A165       2.08503   0.00002  -0.00012   0.00014   0.00002   2.08504
   A166       2.07854  -0.00000   0.00012  -0.00013  -0.00001   2.07853
   A167       2.05470  -0.00001   0.00003  -0.00006  -0.00003   2.05467
   A168       2.11758  -0.00001  -0.00007   0.00007  -0.00001   2.11757
   A169       2.11088   0.00002   0.00005  -0.00001   0.00004   2.11092
   A170       2.05419  -0.00000   0.00000  -0.00001  -0.00000   2.05419
   A171       2.11795   0.00000  -0.00016   0.00012  -0.00004   2.11791
   A172       2.11104  -0.00000   0.00016  -0.00011   0.00004   2.11108
   A173       2.11996  -0.00001  -0.00003   0.00001  -0.00002   2.11994
   A174       2.07796   0.00002  -0.00001   0.00003   0.00003   2.07798
   A175       2.08527  -0.00000   0.00003  -0.00004  -0.00001   2.08526
   A176       2.10420   0.00001   0.00006   0.00000   0.00006   2.10426
   A177       2.08715  -0.00001  -0.00001  -0.00000  -0.00002   2.08713
   A178       2.09182  -0.00000  -0.00005   0.00000  -0.00004   2.09178
   A179       2.07971  -0.00001   0.00000  -0.00002  -0.00002   2.07969
   A180       2.10016   0.00002  -0.00006   0.00013   0.00007   2.10023
   A181       2.10331  -0.00001   0.00007  -0.00012  -0.00005   2.10325
   A182       2.01650  -0.00048   0.00125  -0.00039   0.00087   2.01736
   A183       1.84619  -0.00086   0.00063  -0.00398  -0.00337   1.84282
   A184       1.71982   0.00141   0.00106   0.00057   0.00164   1.72146
   A185       2.02537   0.00060   0.00269  -0.00145   0.00122   2.02659
   A186       2.03490  -0.00048  -0.00628   0.00437  -0.00191   2.03299
   A187       1.78103  -0.00010   0.00065   0.00082   0.00149   1.78251
   A188       2.12605  -0.00221  -0.00019   0.00077   0.00058   2.12663
   A189       2.06209   0.00102  -0.00178   0.00649   0.00471   2.06680
   A190       1.89784   0.00044   0.00225  -0.00223   0.00002   1.89786
   A191       1.90642  -0.00111  -0.00810   0.00829   0.00019   1.90661
   A192       1.84903   0.00028   0.00218  -0.00141   0.00077   1.84979
   A193       1.94988   0.00000   0.00165  -0.00217  -0.00051   1.94937
   A194       1.95285  -0.00023   0.00056  -0.00070  -0.00014   1.95271
   A195       1.90467   0.00060   0.00119  -0.00144  -0.00024   1.90443
   A196       1.90762   0.00006   0.00001  -0.00008  -0.00007   1.90755
   A197       1.94091  -0.00002  -0.00034   0.00041   0.00006   1.94097
   A198       1.93269  -0.00007   0.00012  -0.00030  -0.00018   1.93251
   A199       1.89166  -0.00001   0.00001   0.00003   0.00004   1.89171
   A200       1.88938   0.00002  -0.00038   0.00050   0.00012   1.88950
   A201       1.90041   0.00002   0.00059  -0.00056   0.00003   1.90044
   A202       1.91712   0.00042  -0.00132   0.00205   0.00072   1.91784
   A203       1.84045  -0.00011   0.00092  -0.00142  -0.00051   1.83995
   A204       1.91955  -0.00023   0.00024  -0.00084  -0.00060   1.91895
   A205       1.95475  -0.00016   0.00074  -0.00100  -0.00025   1.95450
   A206       1.93970   0.00002  -0.00135   0.00102  -0.00033   1.93938
   A207       1.88957   0.00003   0.00091   0.00003   0.00094   1.89051
   A208       1.91704  -0.00005  -0.00041   0.00041  -0.00000   1.91704
   A209       1.92550   0.00010  -0.00147   0.00101  -0.00046   1.92504
   A210       1.93375  -0.00007   0.00104  -0.00089   0.00015   1.93390
   A211       1.89269  -0.00002   0.00014  -0.00030  -0.00017   1.89252
   A212       1.89085   0.00004   0.00001  -0.00000   0.00001   1.89086
   A213       1.90318   0.00001   0.00072  -0.00024   0.00048   1.90366
   A214       2.31203  -0.00382  -0.00955  -0.00019  -0.00974   2.30229
    D1       -0.00166  -0.00002   0.00035  -0.00053  -0.00018  -0.00184
    D2        3.11385   0.00001  -0.00067   0.00078   0.00011   3.11396
    D3        3.13273  -0.00002   0.00079  -0.00108  -0.00029   3.13244
    D4       -0.03495   0.00001  -0.00024   0.00023  -0.00000  -0.03495
    D5       -0.03764   0.00003  -0.00087   0.00113   0.00025  -0.03739
    D6        3.10717   0.00002   0.00015   0.00045   0.00060   3.10776
    D7        3.11117   0.00003  -0.00131   0.00168   0.00036   3.11154
    D8       -0.02720   0.00002  -0.00029   0.00100   0.00071  -0.02649
    D9        2.26823  -0.00005  -0.00420  -0.00099  -0.00519   2.26304
   D10       -0.87217  -0.00006  -0.00266  -0.00158  -0.00424  -0.87641
   D11       -0.88061  -0.00005  -0.00376  -0.00154  -0.00530  -0.88592
   D12        2.26217  -0.00006  -0.00222  -0.00213  -0.00435   2.25782
   D13        0.05602  -0.00002   0.00084  -0.00096  -0.00012   0.05589
   D14       -2.99233  -0.00003  -0.00181   0.00037  -0.00142  -2.99375
   D15       -3.05900  -0.00005   0.00189  -0.00231  -0.00042  -3.05942
   D16        0.17584  -0.00006  -0.00076  -0.00097  -0.00172   0.17412
   D17       -0.07147   0.00005  -0.00150   0.00184   0.00033  -0.07114
   D18        3.04246   0.00002   0.00069  -0.00156  -0.00087   3.04159
   D19        2.98114   0.00006   0.00097   0.00060   0.00155   2.98269
   D20       -0.18811   0.00004   0.00316  -0.00281   0.00035  -0.18777
   D21       -2.91708  -0.00002   0.00031   0.00109   0.00140  -2.91568
   D22        0.34224   0.00000  -0.00212   0.00187  -0.00026   0.34199
   D23        0.31704  -0.00003  -0.00227   0.00240   0.00014   0.31717
   D24       -2.70683  -0.00001  -0.00470   0.00317  -0.00151  -2.70834
   D25        0.03325  -0.00003   0.00100  -0.00127  -0.00026   0.03299
   D26       -3.11125  -0.00002   0.00071  -0.00115  -0.00043  -3.11169
   D27       -3.08065   0.00000  -0.00120   0.00214   0.00094  -3.07971
   D28        0.05803   0.00001  -0.00150   0.00227   0.00077   0.05881
   D29       -0.36366   0.00013   0.00046   0.00267   0.00310  -0.36056
   D30        2.84979   0.00005  -0.00039   0.00233   0.00191   2.85169
   D31        2.75016   0.00010   0.00266  -0.00075   0.00190   2.75206
   D32       -0.31958   0.00002   0.00182  -0.00109   0.00070  -0.31887
   D33        0.02176  -0.00000   0.00020  -0.00023  -0.00003   0.02173
   D34       -3.12308   0.00001  -0.00082   0.00045  -0.00038  -3.12346
   D35       -3.11686  -0.00001   0.00050  -0.00036   0.00014  -3.11671
   D36        0.02148  -0.00001  -0.00052   0.00032  -0.00020   0.02128
   D37        0.12422  -0.00008  -0.00230  -0.00160  -0.00388   0.12034
   D38       -2.92051  -0.00002  -0.00346   0.00060  -0.00286  -2.92337
   D39       -3.13358  -0.00008   0.00014  -0.00239  -0.00224  -3.13582
   D40        0.10488  -0.00002  -0.00102  -0.00019  -0.00122   0.10366
   D41        2.97682  -0.00000   0.00306   0.00005   0.00311   2.97992
   D42       -0.12677  -0.00003   0.00378  -0.00073   0.00304  -0.12373
   D43       -0.04814   0.00001   0.00065   0.00081   0.00146  -0.04668
   D44        3.13146  -0.00002   0.00137   0.00002   0.00139   3.13285
   D45       -0.64540   0.00017   0.00499   0.00142   0.00644  -0.63896
   D46       -3.02751   0.00007  -0.00050   0.00195   0.00140  -3.02611
   D47        2.39525   0.00013   0.00623  -0.00085   0.00542   2.40067
   D48        0.01313   0.00004   0.00075  -0.00032   0.00039   0.01352
   D49       -0.08383   0.00002   0.00058  -0.00021   0.00037  -0.08345
   D50        2.99639   0.00005  -0.00175   0.00193   0.00019   2.99658
   D51       -3.12446   0.00005  -0.00069   0.00204   0.00134  -3.12312
   D52       -0.04425   0.00008  -0.00301   0.00418   0.00116  -0.04309
   D53        0.75959  -0.00018  -0.00415  -0.00178  -0.00596   0.75363
   D54       -2.45785  -0.00009  -0.00325  -0.00145  -0.00473  -2.46258
   D55       -3.12424  -0.00008   0.00096  -0.00205  -0.00106  -3.12530
   D56       -0.05849   0.00002   0.00187  -0.00172   0.00017  -0.05833
   D57        2.41101   0.00014   0.00503   0.00003   0.00507   2.41608
   D58       -1.10704   0.00011   0.00430  -0.00128   0.00307  -1.10398
   D59        0.06072  -0.00002  -0.00115   0.00031  -0.00087   0.05985
   D60        2.82585  -0.00006  -0.00189  -0.00100  -0.00287   2.82298
   D61        3.09640   0.00009  -0.00075   0.00241   0.00168   3.09808
   D62        0.03302  -0.00001  -0.00169   0.00201   0.00035   0.03337
   D63       -0.03288   0.00001   0.00017  -0.00100  -0.00082  -0.03371
   D64       -3.13061  -0.00003   0.00092  -0.00175  -0.00083  -3.13145
   D65        3.07132   0.00005  -0.00051  -0.00026  -0.00077   3.07055
   D66       -0.02641   0.00000   0.00023  -0.00101  -0.00078  -0.02719
   D67        0.05573  -0.00001  -0.00063   0.00058  -0.00004   0.05569
   D68       -3.05531  -0.00002   0.00037  -0.00094  -0.00057  -3.05588
   D69       -3.12987   0.00004  -0.00138   0.00137  -0.00001  -3.12988
   D70        0.04228   0.00003  -0.00038  -0.00016  -0.00054   0.04174
   D71       -2.24072   0.00003   0.00122   0.00043   0.00165  -2.23907
   D72        0.89722  -0.00001  -0.00096  -0.00033  -0.00128   0.89594
   D73        0.94533  -0.00002   0.00197  -0.00034   0.00163   0.94695
   D74       -2.19992  -0.00006  -0.00021  -0.00110  -0.00130  -2.20122
   D75        0.00315  -0.00001   0.00025   0.00001   0.00026   0.00341
   D76       -3.07835  -0.00003   0.00256  -0.00210   0.00045  -3.07790
   D77        3.11404   0.00000  -0.00076   0.00154   0.00078   3.11482
   D78        0.03254  -0.00002   0.00155  -0.00057   0.00097   0.03351
   D79       -0.04365   0.00002   0.00041   0.00063   0.00103  -0.04262
   D80       -3.13797  -0.00001   0.00334   0.00030   0.00362  -3.13434
   D81       -2.80290   0.00000   0.00020   0.00234   0.00256  -2.80034
   D82        0.38597  -0.00003   0.00312   0.00201   0.00515   0.39112
   D83        0.16148  -0.00013  -0.00084   0.00041  -0.00043   0.16105
   D84       -2.10470   0.00016  -0.00589   0.00608   0.00016  -2.10454
   D85        2.34290  -0.00000  -0.00713   0.00594  -0.00118   2.34171
   D86        2.92637  -0.00011  -0.00151  -0.00076  -0.00226   2.92412
   D87        0.66019   0.00018  -0.00656   0.00490  -0.00167   0.65852
   D88       -1.17540   0.00002  -0.00779   0.00477  -0.00301  -1.17841
   D89        0.01654  -0.00002  -0.00002  -0.00045  -0.00047   0.01607
   D90       -3.10206   0.00000   0.00138  -0.00084   0.00055  -3.10152
   D91        3.11334   0.00001  -0.00286  -0.00009  -0.00296   3.11038
   D92       -0.00526   0.00003  -0.00146  -0.00049  -0.00194  -0.00720
   D93        3.12119   0.00002  -0.00213   0.00183  -0.00030   3.12089
   D94       -0.02140  -0.00006  -0.00041  -0.00176  -0.00216  -0.02357
   D95        0.02637  -0.00002   0.00077   0.00150   0.00226   0.02863
   D96       -3.11622  -0.00009   0.00249  -0.00209   0.00040  -3.11582
   D97       -0.01110   0.00001   0.00068  -0.00091  -0.00022  -0.01133
   D98        3.10831  -0.00002  -0.00070  -0.00052  -0.00121   3.10710
   D99       -0.01745  -0.00002   0.00112  -0.00051   0.00062  -0.01683
   D100       3.11378   0.00001  -0.00051   0.00121   0.00069   3.11447
   D101      -3.13736  -0.00000   0.00246  -0.00088   0.00158  -3.13578
   D102      -0.00613   0.00003   0.00083   0.00083   0.00166  -0.00447
   D103      -0.02543  -0.00000   0.00030  -0.00154  -0.00125  -0.02668
   D104       3.11240   0.00001  -0.00007  -0.00090  -0.00097   3.11143
   D105       3.11713   0.00007  -0.00139   0.00196   0.00057   3.11770
   D106      -0.02822   0.00008  -0.00175   0.00260   0.00085  -0.02737
   D107       0.00236   0.00001  -0.00065   0.00051  -0.00014   0.00222
   D108      -3.13769  -0.00002   0.00067  -0.00049   0.00017  -3.13752
   D109      -3.13546  -0.00000  -0.00029  -0.00013  -0.00042  -3.13588
   D110       0.00767  -0.00003   0.00103  -0.00114  -0.00011   0.00756
   D111       0.01885   0.00000  -0.00006   0.00050   0.00045   0.01930
   D112      -3.11197  -0.00003   0.00165  -0.00129   0.00036  -3.11161
   D113      -3.12428   0.00003  -0.00137   0.00151   0.00013  -3.12415
   D114       0.02808  -0.00000   0.00033  -0.00028   0.00005   0.02812
   D115      -2.17435   0.00002   0.00058   0.00061   0.00120  -2.17315
   D116       0.94049   0.00007   0.00319   0.00180   0.00499   0.94548
   D117       0.96882  -0.00001   0.00193  -0.00042   0.00152   0.97034
   D118      -2.19953   0.00004   0.00454   0.00078   0.00532  -2.19421
   D119       3.13994   0.00001   0.00027   0.00058   0.00085   3.14080
   D120      -0.04590   0.00004   0.00055   0.00113   0.00168  -0.04422
   D121      -0.00267   0.00002  -0.00104   0.00109   0.00004  -0.00262
   D122       3.09468   0.00004  -0.00076   0.00163   0.00087   3.09555
   D123      -3.13898  -0.00001  -0.00038  -0.00041  -0.00079  -3.13976
   D124      -0.03381  -0.00002   0.00063  -0.00035   0.00028  -0.03354
   D125       0.00364  -0.00002   0.00093  -0.00091   0.00002   0.00366
   D126       3.10880  -0.00002   0.00194  -0.00085   0.00109   3.10989
   D127       3.13545  -0.00004  -0.00143  -0.00069  -0.00212   3.13333
   D128       0.03214  -0.00004  -0.00186  -0.00092  -0.00278   0.02936
   D129      -0.00303  -0.00001   0.00042  -0.00004   0.00038  -0.00266
   D130      -3.10634  -0.00000  -0.00001  -0.00028  -0.00029  -3.10663
   D131      -3.13665   0.00004   0.00143   0.00066   0.00208  -3.13456
   D132       0.04862   0.00002   0.00225   0.00003   0.00228   0.05089
   D133       0.00181   0.00001  -0.00044   0.00001  -0.00043   0.00139
   D134      -3.09611  -0.00001   0.00038  -0.00061  -0.00023  -3.09634
   D135       3.11831   0.00004   0.00179   0.00105   0.00284   3.12116
   D136       0.00486   0.00005   0.00093   0.00172   0.00265   0.00751
   D137      -0.00041  -0.00000  -0.00043   0.00003  -0.00040  -0.00081
   D138      -3.11386   0.00000  -0.00129   0.00069  -0.00059  -3.11445
   D139      -3.11931  -0.00005  -0.00172  -0.00118  -0.00290  -3.12221
   D140       0.05623  -0.00006  -0.00204  -0.00166  -0.00371   0.05253
   D141      -0.00058  -0.00000   0.00050  -0.00016   0.00034  -0.00024
   D142      -3.10822  -0.00002   0.00018  -0.00064  -0.00046  -3.10868
   D143       0.00304   0.00001  -0.00024   0.00006  -0.00018   0.00285
   D144      -3.12791   0.00001  -0.00060   0.00002  -0.00058  -3.12849
   D145       3.10987   0.00000   0.00015   0.00027   0.00042   3.11029
   D146      -0.02108   0.00000  -0.00021   0.00024   0.00002  -0.02105
   D147       3.11950  -0.00001   0.00041   0.00030   0.00071   3.12021
   D148      -0.01180   0.00000   0.00030   0.00060   0.00090  -0.01090
   D149       0.02047  -0.00000  -0.00007   0.00004  -0.00003   0.02044
   D150      -3.11083   0.00001  -0.00018   0.00034   0.00016  -3.11067
   D151      -0.00189  -0.00000  -0.00003  -0.00005  -0.00008  -0.00197
   D152       3.12446  -0.00001   0.00052  -0.00086  -0.00034   3.12412
   D153       3.12692  -0.00001   0.00041  -0.00001   0.00040   3.12731
   D154      -0.02992  -0.00001   0.00095  -0.00082   0.00014  -0.02978
   D155       0.00623  -0.00000   0.00008  -0.00003   0.00005   0.00628
   D156      -3.14123  -0.00000   0.00006   0.00003   0.00009  -3.14114
   D157      -3.12131   0.00000  -0.00039  -0.00008  -0.00047  -3.12178
   D158       0.01441  -0.00000  -0.00042  -0.00001  -0.00043   0.01398
   D159       0.00007  -0.00000   0.00028   0.00002   0.00031   0.00038
   D160       3.10218   0.00002  -0.00046   0.00059   0.00013   3.10231
   D161      -3.12882   0.00000  -0.00017   0.00070   0.00053  -3.12829
   D162      -0.02671   0.00002  -0.00091   0.00126   0.00035  -0.02636
   D163      -3.11603  -0.00001   0.00004  -0.00005  -0.00001  -3.11605
   D164       0.01872   0.00000  -0.00054   0.00092   0.00038   0.01910
   D165       0.00880  -0.00001   0.00064  -0.00094  -0.00030   0.00850
   D166      -3.13963  -0.00000   0.00006   0.00003   0.00009  -3.13953
   D167       3.11802   0.00001  -0.00041   0.00025  -0.00016   3.11786
   D168      -0.00897   0.00000   0.00018  -0.00183  -0.00165  -0.01062
   D169       0.02491  -0.00001   0.00049  -0.00044   0.00005   0.02496
   D170      -3.10208  -0.00002   0.00108  -0.00252  -0.00143  -3.10351
   D171       0.00069  -0.00001   0.00075  -0.00083  -0.00009   0.00061
   D172       3.12577   0.00001  -0.00049   0.00082   0.00033   3.12610
   D173      -3.10090  -0.00003   0.00048  -0.00130  -0.00082  -3.10172
   D174       0.02417  -0.00000  -0.00075   0.00035  -0.00040   0.02377
   D175      -3.11610  -0.00002   0.00052  -0.00111  -0.00059  -3.11669
   D176       0.01338  -0.00000   0.00002  -0.00057  -0.00055   0.01283
   D177      -0.02361   0.00000   0.00083  -0.00051   0.00032  -0.02329
   D178       3.10588   0.00002   0.00033   0.00003   0.00036   3.10623
   D179       0.00151   0.00000  -0.00017   0.00027   0.00010   0.00161
   D180      -3.12929   0.00000  -0.00027   0.00005  -0.00023  -3.12951
   D181      -3.12031  -0.00003   0.00130  -0.00170  -0.00040  -3.12071
   D182       0.03208  -0.00003   0.00120  -0.00192  -0.00072   0.03135
   D183      -0.00697  -0.00000   0.00023  -0.00004   0.00019  -0.00678
   D184       3.14115  -0.00000   0.00016  -0.00010   0.00006   3.14121
   D185       3.11287   0.00003  -0.00140   0.00214   0.00074   3.11361
   D186      -0.02219   0.00003  -0.00146   0.00207   0.00061  -0.02158
   D187      -0.00317   0.00001  -0.00046   0.00039  -0.00007  -0.00324
   D188      -3.11191   0.00002  -0.00137   0.00034  -0.00103  -3.11293
   D189       3.12941   0.00001  -0.00038   0.00058   0.00020   3.12961
   D190       0.02067   0.00002  -0.00128   0.00053  -0.00075   0.01991
   D191       3.12601  -0.00001   0.00108  -0.00062   0.00046   3.12647
   D192      -0.01249  -0.00001   0.00068  -0.00009   0.00059  -0.01189
   D193      -0.00371  -0.00002   0.00097  -0.00086   0.00010  -0.00360
   D194       3.14099  -0.00001   0.00057  -0.00033   0.00023   3.14122
   D195      -3.12417  -0.00000  -0.00042   0.00019  -0.00023  -3.12440
   D196       0.01028  -0.00001   0.00022  -0.00070  -0.00048   0.00980
   D197      -0.02296  -0.00001   0.00070   0.00025   0.00095  -0.02201
   D198       3.11148  -0.00001   0.00134  -0.00064   0.00070   3.11218
   D199       0.00120   0.00000   0.00020   0.00011   0.00030   0.00151
   D200      -3.13098  -0.00001   0.00049  -0.00046   0.00003  -3.13095
   D201       3.11729  -0.00000   0.00097  -0.00049   0.00048   3.11777
   D202      -0.01488  -0.00001   0.00126  -0.00106   0.00020  -0.01468
   D203       3.12465  -0.00001   0.00065  -0.00078  -0.00013   3.12452
   D204      -0.01320  -0.00000   0.00002  -0.00015  -0.00014  -0.01334
   D205       0.01431  -0.00000  -0.00030  -0.00005  -0.00035   0.01397
   D206      -3.12354   0.00000  -0.00093   0.00058  -0.00035  -3.12389
   D207      -0.00153  -0.00000   0.00011  -0.00020  -0.00010  -0.00162
   D208       3.12559   0.00002  -0.00097   0.00131   0.00034   3.12593
   D209       3.12875   0.00001  -0.00025   0.00048   0.00023   3.12899
   D210      -0.02732   0.00003  -0.00133   0.00200   0.00067  -0.02665
   D211       0.00436   0.00002  -0.00159   0.00176   0.00016   0.00453
   D212      -3.14089   0.00001  -0.00055   0.00056   0.00001  -3.14088
   D213      -3.12479   0.00001  -0.00120   0.00101  -0.00020  -3.12499
   D214       0.01314  -0.00000  -0.00016  -0.00019  -0.00035   0.01279
   D215       0.00131   0.00000  -0.00038   0.00023  -0.00015   0.00116
   D216       3.11214   0.00002  -0.00008   0.00066   0.00058   3.11272
   D217      -3.12824  -0.00002   0.00053  -0.00104  -0.00051  -3.12875
   D218      -0.01740  -0.00000   0.00082  -0.00061   0.00021  -0.01719
   D219      -3.12093  -0.00002   0.00083  -0.00131  -0.00047  -3.12140
   D220       0.01594  -0.00003   0.00139  -0.00203  -0.00064   0.01530
   D221       0.00475   0.00001  -0.00036   0.00036   0.00000   0.00475
   D222      -3.14158   0.00000   0.00020  -0.00036  -0.00016   3.14145
   D223       3.12128   0.00002  -0.00030   0.00088   0.00059   3.12187
   D224      -0.01195   0.00002  -0.00050   0.00109   0.00059  -0.01136
   D225       0.01738  -0.00000  -0.00065   0.00035  -0.00030   0.01708
   D226      -3.11586   0.00000  -0.00085   0.00056  -0.00029  -3.11615
   D227       0.00970  -0.00000   0.00001  -0.00016  -0.00015   0.00956
   D228      -3.14045   0.00000  -0.00019   0.00057   0.00039  -3.14006
   D229      -3.12504  -0.00001   0.00060  -0.00114  -0.00054  -3.12558
   D230       0.00800  -0.00001   0.00040  -0.00041  -0.00001   0.00799
   D231      -0.01133   0.00001  -0.00044   0.00100   0.00057  -0.01076
   D232       3.12067   0.00003  -0.00108   0.00192   0.00085   3.12152
   D233       3.13879   0.00001  -0.00024   0.00028   0.00004   3.13883
   D234      -0.01239   0.00002  -0.00088   0.00120   0.00032  -0.01207
   D235      -0.00598   0.00000   0.00018  -0.00069  -0.00051  -0.00649
   D236       3.12109   0.00001  -0.00041   0.00138   0.00097   3.12206
   D237      -3.13802  -0.00002   0.00082  -0.00161  -0.00079  -3.13881
   D238      -0.01095  -0.00001   0.00023   0.00046   0.00069  -0.01026
   D239      -0.00567  -0.00001   0.00047  -0.00052  -0.00005  -0.00572
   D240       3.14132   0.00000   0.00027  -0.00029  -0.00002   3.14130
   D241       3.12567  -0.00002   0.00059  -0.00083  -0.00023   3.12544
   D242      -0.01052  -0.00001   0.00039  -0.00060  -0.00021  -0.01073
   D243      -0.00863   0.00001  -0.00061   0.00074   0.00013  -0.00850
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   D245       3.12754   0.00000  -0.00041   0.00051   0.00010   3.12764
   D246      -0.00632  -0.00001   0.00012  -0.00005   0.00008  -0.00624
   D247       0.00820  -0.00001   0.00032  -0.00045  -0.00013   0.00807
   D248      -3.12751  -0.00000   0.00034  -0.00051  -0.00017  -3.12768
   D249      -3.14115   0.00000  -0.00021   0.00011  -0.00010  -3.14125
   D250       0.00632   0.00001  -0.00019   0.00005  -0.00014   0.00618
   D251      -0.01001   0.00000  -0.00011   0.00043   0.00031  -0.00970
   D252       3.13628  -0.00000   0.00018   0.00021   0.00039   3.13667
   D253       3.12847   0.00000   0.00029  -0.00010   0.00018   3.12865
   D254      -0.00843  -0.00001   0.00058  -0.00032   0.00026  -0.00816
   D255       0.00746   0.00001  -0.00047   0.00037  -0.00010   0.00737
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   D257      -3.13881   0.00001  -0.00077   0.00059  -0.00018  -3.13899
   D258      -0.00079   0.00003  -0.00110   0.00092  -0.00019  -0.00098
   D259       0.00898  -0.00000   0.00017  -0.00070  -0.00053   0.00845
   D260      -3.12552   0.00000  -0.00046   0.00018  -0.00028  -3.12581
   D261      -3.12906  -0.00002   0.00051  -0.00103  -0.00052  -3.12958
   D262       0.01962  -0.00001  -0.00012  -0.00015  -0.00027   0.01934
   D263       0.00660   0.00000  -0.00043   0.00038  -0.00004   0.00655
   D264      -3.14020   0.00000  -0.00034   0.00025  -0.00009  -3.14029
   D265      -3.12296  -0.00002   0.00007  -0.00015  -0.00008  -3.12304
   D266       0.01342  -0.00001   0.00016  -0.00029  -0.00012   0.01330
   D267       0.01004  -0.00001  -0.00007  -0.00009  -0.00016   0.00988
   D268      -3.14005   0.00001  -0.00050   0.00063   0.00013  -3.13992
   D269      -3.12632  -0.00001  -0.00016   0.00004  -0.00012  -3.12644
   D270       0.00677   0.00000  -0.00059   0.00077   0.00017   0.00695
   D271      -0.00968   0.00001   0.00017  -0.00008   0.00009  -0.00959
   D272       3.12537   0.00001   0.00024  -0.00002   0.00022   3.12559
   D273       3.14043  -0.00001   0.00060  -0.00081  -0.00021   3.14022
   D274      -0.00770  -0.00000   0.00067  -0.00075  -0.00008  -0.00778
   D275       0.00712  -0.00000  -0.00023   0.00010  -0.00012   0.00700
   D276      -3.14061  -0.00000  -0.00007  -0.00008  -0.00014  -3.14076
   D277      -3.12974   0.00000  -0.00079   0.00083   0.00004  -3.12970
   D278       0.00572   0.00001  -0.00063   0.00064   0.00002   0.00573
   D279      -0.00699  -0.00000   0.00039  -0.00036   0.00003  -0.00696
   D280       3.13044  -0.00001   0.00078  -0.00068   0.00010   3.13053
   D281       3.14072  -0.00000   0.00023  -0.00018   0.00005   3.14078
   D282      -0.00503  -0.00001   0.00062  -0.00050   0.00012  -0.00491
   D283      -0.00524   0.00000   0.00005   0.00013   0.00018  -0.00506
   D284       3.12803   0.00000   0.00025  -0.00007   0.00017   3.12820
   D285       3.14050   0.00001  -0.00034   0.00045   0.00011   3.14062
   D286      -0.00941   0.00001  -0.00014   0.00025   0.00011  -0.00931
   D287      -0.00367   0.00001  -0.00031   0.00045   0.00013  -0.00354
   D288       3.13937   0.00000  -0.00020   0.00016  -0.00004   3.13934
   D289       3.13419  -0.00000   0.00032  -0.00018   0.00014   3.13433
   D290      -0.00594  -0.00000   0.00043  -0.00047  -0.00004  -0.00598
   D291      -0.00649   0.00000  -0.00004   0.00027   0.00023  -0.00627
   D292       3.13924  -0.00001   0.00062  -0.00049   0.00014   3.13938
   D293       3.13364   0.00001  -0.00016   0.00056   0.00040   3.13404
   D294      -0.00381  -0.00001   0.00051  -0.00020   0.00031  -0.00350
   D295       0.00603  -0.00002   0.00101  -0.00138  -0.00037   0.00566
   D296      -3.13190  -0.00001  -0.00004  -0.00018  -0.00022  -3.13211
   D297      -3.13972  -0.00000   0.00034  -0.00062  -0.00028  -3.14000
   D298       0.00554   0.00001  -0.00070   0.00058  -0.00013   0.00542
   D299       1.74018  -0.00166   0.01756  -0.00465   0.01290   1.75309
   D300      -0.52083  -0.00073   0.01325   0.00045   0.01372  -0.50711
   D301      -2.75238  -0.00042   0.01912  -0.00489   0.01422  -2.73816
   D302      -3.06957  -0.00062   0.00877  -0.02147  -0.01268  -3.08225
   D303      -0.90120  -0.00047   0.00783  -0.01927  -0.01145  -0.91265
   D304       1.32426  -0.00008   0.00772  -0.01764  -0.00994   1.31431
   D305      -2.33109  -0.00068  -0.00438  -0.00243  -0.00680  -2.33790
   D306      -0.19910  -0.00110  -0.00595  -0.00135  -0.00730  -0.20640
   D307       1.85036  -0.00080  -0.00745   0.00037  -0.00708   1.84328
   D308       1.87629  -0.00025   0.00400  -0.01717  -0.01317   1.86312
   D309      -2.29753  -0.00028   0.00472  -0.01809  -0.01337  -2.31091
   D310      -0.26391  -0.00042   0.00641  -0.01925  -0.01284  -0.27675
   D311      -3.06943  -0.00053  -0.00229   0.00310   0.00082  -3.06862
   D312      -0.98161  -0.00051  -0.00249   0.00335   0.00086  -0.98075
   D313       1.13382  -0.00055  -0.00189   0.00271   0.00082   1.13465
   D314       1.10834   0.00057   0.00528  -0.00439   0.00089   1.10924
   D315      -3.08702   0.00058   0.00508  -0.00414   0.00094  -3.08607
   D316      -0.97158   0.00054   0.00568  -0.00478   0.00090  -0.97068
   D317      -1.03315  -0.00004   0.00210  -0.00041   0.00169  -1.03146
   D318       1.05468  -0.00003   0.00190  -0.00016   0.00174   1.05641
   D319      -3.11307  -0.00007   0.00250  -0.00080   0.00170  -3.11138
   D320      -0.86471   0.00008   0.00905  -0.00477   0.00428  -0.86043
   D321       1.23568  -0.00011   0.00753  -0.00343   0.00410   1.23978
   D322      -2.87876   0.00002   0.01025  -0.00686   0.00339  -2.87537
   D323       3.08038  -0.00002   0.00773  -0.00508   0.00265   3.08303
   D324      -1.11732  -0.00002   0.00671  -0.00456   0.00215  -1.11516
   D325       0.99200   0.00001   0.00733  -0.00478   0.00255   0.99455
   D326       1.04142  -0.00006   0.00698  -0.00401   0.00297   1.04439
   D327       3.12691  -0.00006   0.00597  -0.00349   0.00247   3.12938
   D328      -1.04697  -0.00003   0.00658  -0.00371   0.00287  -1.04410
   D329      -1.07457  -0.00001   0.00624  -0.00407   0.00217  -1.07240
   D330       1.01092  -0.00000   0.00523  -0.00356   0.00167   1.01259
   D331       3.12023   0.00003   0.00584  -0.00377   0.00207   3.12230
         Item               Value     Threshold  Converged?
 Maximum Force            0.003819     0.000450     NO 
 RMS     Force            0.000236     0.000300     YES
 Maximum Displacement     0.078552     0.001800     NO 
 RMS     Displacement     0.011388     0.001200     NO 
 Predicted change in Energy=-5.619461D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.602006    3.249536    0.107261
      2          6           0       -2.759286    1.869658    0.256109
      3          6           0       -1.653974    1.010974    0.213794
      4          6           0       -0.363831    1.565217    0.086068
      5          6           0       -0.213773    2.948449   -0.081975
      6          6           0       -1.318469    3.786917   -0.085524
      7          6           0       -1.786757   -0.457531    0.183527
      8          6           0       -0.655211   -1.278003    0.416280
      9          6           0        0.626510   -0.629292    0.844189
     10          6           0        0.821759    0.697734    0.165674
     11          6           0       -2.991154   -1.052916   -0.209724
     12          6           0       -3.084518   -2.428000   -0.429838
     13          6           0       -1.939224   -3.220664   -0.292685
     14          6           0       -0.746452   -2.644753    0.122847
     15          7           0        1.785748   -1.450297    0.933061
     16          6           0        3.034572   -0.947782    0.457054
     17          6           0        3.075757    0.333853   -0.138238
     18          7           0        1.954628    1.135292   -0.263861
     19          6           0        4.224914   -1.691151    0.497819
     20          6           0        5.412164   -1.168255   -0.000134
     21          6           0        5.453072    0.104751   -0.587535
     22          6           0        4.276250    0.839483   -0.660271
     23          7           0       -3.734020    4.099032    0.142100
     24          7           0       -4.311552   -3.002899   -0.838888
     25          7           0        6.669402    0.626821   -1.097062
     26          6           0       -4.944729   -4.094683   -0.227332
     27          6           0       -6.153517   -4.368251   -0.914876
     28          6           0       -6.254561   -3.403496   -1.990627
     29          6           0       -5.104310   -2.578011   -1.914690
     30          6           0       -3.871357    5.252045    0.930114
     31          6           0       -5.143406    5.826990    0.684417
     32          6           0       -5.805034    4.987207   -0.292534
     33          6           0       -4.911356    3.931559   -0.602919
     34          6           0        7.254354    1.846461   -0.732842
     35          6           0        8.474424    2.000157   -1.439173
     36          6           0        8.632074    0.822822   -2.267539
     37          6           0        7.502623   -0.001511   -2.030643
     38          6           0       -7.196312   -3.183407   -3.002124
     39          6           0       -6.978430   -2.161827   -3.921811
     40          6           0       -5.822557   -1.366935   -3.845460
     41          6           0       -4.869692   -1.564023   -2.847804
     42          6           0       -4.559016   -4.827108    0.898453
     43          6           0       -5.395342   -5.861137    1.313923
     44          6           0       -6.588751   -6.157684    0.634131
     45          6           0       -6.975041   -5.412969   -0.476156
     46          6           0       -7.051532    5.046474   -0.925831
     47          6           0       -7.388234    4.066227   -1.854549
     48          6           0       -6.485211    3.035513   -2.163034
     49          6           0       -5.237130    2.955635   -1.548890
     50          6           0       -2.991628    5.798709    1.868511
     51          6           0       -3.394376    6.951105    2.540037
     52          6           0       -4.643602    7.544802    2.293937
     53          6           0       -5.523330    6.984674    1.372758
     54          6           0        9.606996    0.410087   -3.183036
     55          6           0        9.443797   -0.801673   -3.847663
     56          6           0        8.311437   -1.599409   -3.611351
     57          6           0        7.325981   -1.212489   -2.705747
     58          6           0        6.813655    2.804245    0.184311
     59          6           0        7.607651    3.933235    0.373385
     60          6           0        8.813286    4.107689   -0.327051
     61          6           0        9.252591    3.144674   -1.230382
     62          8           0        0.480282   -3.027518    2.760612
     63         15           0        1.777269   -2.762919    2.111647
     64          8           0        3.008444   -2.469115    3.091453
     65          8           0        2.362586   -3.932687    1.174556
     66          6           0        2.818874   -1.856039    4.409416
     67          6           0        3.848067   -0.758995    4.588427
     68          6           0        2.467652   -5.280991    1.728879
     69          6           0        1.396293   -6.170706    1.128044
     70          1           0       -3.753461    1.476779    0.429756
     71          1           0        0.786060    3.348018   -0.206203
     72          1           0       -1.199939    4.854562   -0.232538
     73          1           0       -3.867705   -0.441730   -0.383908
     74          1           0       -1.981492   -4.275723   -0.538385
     75          1           0        0.133817   -3.269410    0.161582
     76          1           0        4.239720   -2.683067    0.919894
     77          1           0        6.322466   -1.753568    0.069881
     78          1           0        4.248124    1.816277   -1.128854
     79          1           0       -8.082929   -3.807134   -3.070730
     80          1           0       -7.702579   -1.980660   -4.709996
     81          1           0       -5.660370   -0.586525   -4.583148
     82          1           0       -3.972295   -0.956765   -2.808517
     83          1           0       -3.647405   -4.595971    1.438177
     84          1           0       -5.117775   -6.445586    2.186091
     85          1           0       -7.217047   -6.970819    0.984190
     86          1           0       -7.904203   -5.634789   -0.993185
     87          1           0       -7.745158    5.850181   -0.696247
     88          1           0       -8.354080    4.098854   -2.349020
     89          1           0       -6.761407    2.280036   -2.892555
     90          1           0       -4.543817    2.163285   -1.806756
     91          1           0       -2.032375    5.339591    2.078971
     92          1           0       -2.726634    7.394352    3.272803
     93          1           0       -4.925776    8.443497    2.833562
     94          1           0       -6.495226    7.435339    1.193340
     95          1           0       10.477339    1.031164   -3.374709
     96          1           0       10.193604   -1.132826   -4.559458
     97          1           0        8.197093   -2.536903   -4.147560
     98          1           0        6.449262   -1.828473   -2.538699
     99          1           0        5.888107    2.674851    0.734155
    100          1           0        7.285103    4.692742    1.079455
    101          1           0        9.407231    5.000417   -0.157567
    102          1           0       10.189102    3.276355   -1.764817
    103          1           0        1.801287   -1.470150    4.483355
    104          1           0        2.950410   -2.661131    5.137824
    105          1           0        3.763441   -0.344831    5.598468
    106          1           0        4.863247   -1.143715    4.457318
    107          1           0        3.680674    0.048974    3.871899
    108          1           0        3.473738   -5.622605    1.473445
    109          1           0        2.383562   -5.243965    2.818704
    110          1           0        1.512796   -7.194562    1.498387
    111          1           0        0.403234   -5.811937    1.410454
    112          1           0        1.472942   -6.188549    0.037361
    113         17           0        0.294146    0.136216    2.782492
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351438           0.0181662           0.0142742
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10693.6409532199 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000649   -0.000055    0.000145 Ang=  -0.08 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48600366     A.U. after   10 cycles
            NFock= 10  Conv=0.55D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000075535    0.000112334   -0.000018390
      2        6           0.000070876    0.000041635    0.000068113
      3        6          -0.000197744    0.000191090    0.000102510
      4        6           0.000107270    0.000219919   -0.000133158
      5        6           0.000048941   -0.000050501    0.000010181
      6        6          -0.000041509   -0.000068219   -0.000020098
      7        6           0.000021863   -0.000257632    0.000065612
      8        6          -0.000458959   -0.000339819   -0.000284229
      9        6          -0.000191767   -0.000157447    0.000178049
     10        6          -0.000178282    0.000232661   -0.000179054
     11        6           0.000032641   -0.000044002   -0.000075164
     12        6           0.000026603    0.000010204   -0.000086360
     13        6          -0.000183985   -0.000062460    0.000081077
     14        6           0.000087093    0.000296898    0.000006326
     15        7           0.000629665    0.000464167    0.000251474
     16        6          -0.000202308   -0.000441146   -0.000218278
     17        6          -0.000247412    0.000158863    0.000133961
     18        7           0.000344792   -0.000042859    0.000086867
     19        6           0.000179369    0.000233685   -0.000143979
     20        6          -0.000126096   -0.000142216    0.000204469
     21        6           0.000036462    0.000404708   -0.000292056
     22        6           0.000139526    0.000012244   -0.000121940
     23        7           0.000109167    0.000003539    0.000070866
     24        7           0.000001772   -0.000052652   -0.000093765
     25        7           0.000011872   -0.000257602    0.000208461
     26        6           0.000056267    0.000027742    0.000006025
     27        6           0.000011154    0.000009435   -0.000019888
     28        6          -0.000014195    0.000012882    0.000047589
     29        6           0.000091755   -0.000030815    0.000002791
     30        6          -0.000079074   -0.000076663    0.000002199
     31        6          -0.000034325   -0.000091886    0.000039569
     32        6           0.000065899    0.000060591   -0.000030148
     33        6           0.000015688   -0.000007711    0.000063555
     34        6           0.000049297    0.000159055   -0.000031185
     35        6          -0.000042957   -0.000101120    0.000068047
     36        6          -0.000060256    0.000053612   -0.000067295
     37        6           0.000001939    0.000051772   -0.000125860
     38        6           0.000004909   -0.000000988   -0.000024642
     39        6          -0.000026793    0.000007399    0.000043504
     40        6           0.000034681   -0.000044904   -0.000039664
     41        6          -0.000062178    0.000018267    0.000088369
     42        6          -0.000019662   -0.000053394   -0.000009116
     43        6           0.000013996    0.000025130   -0.000014464
     44        6          -0.000046019    0.000035694   -0.000001471
     45        6           0.000013542   -0.000001229    0.000016487
     46        6           0.000003691   -0.000050986   -0.000034425
     47        6           0.000009153    0.000065080   -0.000021332
     48        6           0.000047653   -0.000050629    0.000065612
     49        6          -0.000027320    0.000023588   -0.000085496
     50        6           0.000017483   -0.000047055   -0.000043705
     51        6           0.000009861    0.000006602   -0.000009291
     52        6           0.000030518   -0.000005750    0.000013246
     53        6           0.000022696    0.000045363   -0.000054885
     54        6           0.000007561   -0.000025586    0.000057090
     55        6          -0.000017996    0.000003959   -0.000001628
     56        6           0.000048718   -0.000004394   -0.000001471
     57        6          -0.000014035   -0.000004315    0.000074447
     58        6           0.000004191   -0.000045810    0.000000873
     59        6          -0.000010051    0.000020085    0.000001647
     60        6           0.000023990   -0.000056105    0.000025504
     61        6          -0.000012499    0.000042214   -0.000032930
     62        8           0.000088863   -0.000014270   -0.000363129
     63       15          -0.000566567   -0.000687067    0.000202224
     64        8           0.000460047    0.000227808   -0.000502265
     65        8           0.000285355   -0.000134789    0.000297102
     66        6          -0.000184084    0.000317083    0.000212760
     67        6           0.000012896    0.000111863    0.000051201
     68        6          -0.000391074    0.000075968   -0.000273865
     69        6          -0.000017930   -0.000043835    0.000245602
     70        1          -0.000030076    0.000027795   -0.000074089
     71        1          -0.000034452   -0.000034163    0.000002729
     72        1          -0.000013296   -0.000029407    0.000017723
     73        1           0.000007110   -0.000009766    0.000101032
     74        1           0.000019949    0.000013770   -0.000029792
     75        1          -0.000029513   -0.000052809    0.000020481
     76        1           0.000017089   -0.000240272    0.000207520
     77        1          -0.000037087   -0.000070024   -0.000053083
     78        1          -0.000028200   -0.000021900    0.000054234
     79        1           0.000000080    0.000017822   -0.000007876
     80        1           0.000019487   -0.000026735   -0.000005802
     81        1          -0.000019321    0.000030429    0.000006680
     82        1          -0.000006744   -0.000030607   -0.000033235
     83        1          -0.000011794    0.000016608   -0.000006844
     84        1           0.000002388    0.000012028   -0.000005774
     85        1           0.000010752   -0.000006344   -0.000011070
     86        1           0.000002374    0.000000717    0.000012365
     87        1          -0.000029003    0.000005530    0.000012520
     88        1          -0.000007204   -0.000019978    0.000035272
     89        1           0.000007994    0.000034184   -0.000023304
     90        1          -0.000032536    0.000028588    0.000018408
     91        1          -0.000040221    0.000032566   -0.000032476
     92        1          -0.000022066    0.000008587    0.000000331
     93        1          -0.000003545    0.000000954   -0.000004508
     94        1           0.000004142   -0.000003993    0.000017217
     95        1          -0.000008296   -0.000008519   -0.000013964
     96        1           0.000002016   -0.000005205    0.000015283
     97        1          -0.000017672    0.000008663   -0.000007496
     98        1           0.000002480    0.000019975    0.000006570
     99        1           0.000011507    0.000001838   -0.000008333
    100        1           0.000016991   -0.000005271   -0.000003091
    101        1          -0.000012541    0.000021371   -0.000011840
    102        1          -0.000010231    0.000003938    0.000013548
    103        1          -0.000117047   -0.000574122    0.000364754
    104        1          -0.000016844    0.000003631   -0.000028106
    105        1           0.000027947    0.000014159   -0.000015092
    106        1           0.000041978   -0.000029952   -0.000011914
    107        1           0.000002572   -0.000054525   -0.000042354
    108        1           0.000035602   -0.000072223   -0.000088800
    109        1           0.000316004    0.000163795    0.000054192
    110        1           0.000077414    0.000012069   -0.000018232
    111        1          -0.000053145   -0.000050849   -0.000035311
    112        1           0.000002755    0.000051889   -0.000035526
    113       17           0.000203102    0.000528475    0.000008271
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000687067 RMS     0.000137045

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001260178 RMS     0.000135897
 Search for a local minimum.
 Step number  28 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   23   24   25   26   27
                                                     28
 DE= -5.50D-05 DEPred=-5.62D-05 R= 9.80D-01
 TightC=F SS=  1.41D+00  RLast= 5.39D-02 DXNew= 2.1488D+00 1.6156D-01
 Trust test= 9.80D-01 RLast= 5.39D-02 DXMaxT set to 1.28D+00
 ITU=  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0
 ITU=  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00248   0.00414   0.00704   0.00894   0.00970
     Eigenvalues ---    0.01297   0.01466   0.01882   0.02354   0.02441
     Eigenvalues ---    0.02486   0.02540   0.02555   0.02578   0.02591
     Eigenvalues ---    0.02603   0.02636   0.02667   0.02682   0.02692
     Eigenvalues ---    0.02699   0.02702   0.02713   0.02719   0.02748
     Eigenvalues ---    0.02764   0.02767   0.02780   0.02795   0.02801
     Eigenvalues ---    0.02803   0.02808   0.02812   0.02814   0.02827
     Eigenvalues ---    0.02841   0.02854   0.02861   0.02869   0.02875
     Eigenvalues ---    0.02881   0.02883   0.02890   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02907   0.02916   0.02917   0.02918
     Eigenvalues ---    0.02927   0.02930   0.02938   0.02945   0.02949
     Eigenvalues ---    0.02951   0.02952   0.02955   0.02956   0.02961
     Eigenvalues ---    0.02964   0.02965   0.02970   0.02972   0.02976
     Eigenvalues ---    0.02990   0.02992   0.02995   0.03000   0.03005
     Eigenvalues ---    0.03019   0.03023   0.03031   0.03050   0.03057
     Eigenvalues ---    0.03059   0.03064   0.03077   0.03091   0.03096
     Eigenvalues ---    0.03103   0.03120   0.03131   0.03132   0.03141
     Eigenvalues ---    0.03165   0.03175   0.03178   0.03190   0.03225
     Eigenvalues ---    0.03238   0.03249   0.03276   0.03284   0.03359
     Eigenvalues ---    0.03437   0.03546   0.03900   0.05247   0.05295
     Eigenvalues ---    0.05641   0.05767   0.05779   0.05895   0.05919
     Eigenvalues ---    0.06147   0.06290   0.07202   0.08302   0.11592
     Eigenvalues ---    0.11740   0.12215   0.13407   0.13748   0.14034
     Eigenvalues ---    0.15187   0.15909   0.15931   0.15979   0.15985
     Eigenvalues ---    0.15993   0.15996   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16007   0.16009   0.16014   0.16033
     Eigenvalues ---    0.16048   0.16082   0.16130   0.16217   0.18183
     Eigenvalues ---    0.19719   0.20859   0.21067   0.21758   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22004   0.22162
     Eigenvalues ---    0.22330   0.22441   0.22510   0.22559   0.22598
     Eigenvalues ---    0.22602   0.22611   0.22625   0.22655   0.22710
     Eigenvalues ---    0.23375   0.23453   0.23512   0.23736   0.24143
     Eigenvalues ---    0.24368   0.24469   0.24486   0.24519   0.24528
     Eigenvalues ---    0.24543   0.24595   0.24712   0.24821   0.24896
     Eigenvalues ---    0.24911   0.24970   0.24978   0.24979   0.24983
     Eigenvalues ---    0.24989   0.24989   0.24999   0.25048   0.25140
     Eigenvalues ---    0.25239   0.25852   0.26095   0.26525   0.27163
     Eigenvalues ---    0.27301   0.28096   0.28740   0.28836   0.29092
     Eigenvalues ---    0.29292   0.29352   0.29649   0.29808   0.30233
     Eigenvalues ---    0.30493   0.30654   0.30723   0.30856   0.30955
     Eigenvalues ---    0.31136   0.31193   0.31270   0.31381   0.31489
     Eigenvalues ---    0.31541   0.31691   0.32136   0.32233   0.32558
     Eigenvalues ---    0.33140   0.33333   0.33583   0.33965   0.34048
     Eigenvalues ---    0.34214   0.34496   0.34668   0.34936   0.35056
     Eigenvalues ---    0.35159   0.35451   0.35536   0.35690   0.36383
     Eigenvalues ---    0.36461   0.36781   0.37134   0.37309   0.39044
     Eigenvalues ---    0.39991   0.41529   0.41689   0.42054   0.42760
     Eigenvalues ---    0.43231   0.43457   0.43725   0.45291   0.45992
     Eigenvalues ---    0.47068   0.47103   0.47131   0.47237   0.47669
     Eigenvalues ---    0.47843   0.49632   0.50052   0.50086   0.50461
     Eigenvalues ---    0.50591   0.51154   0.51669   0.51911   0.52077
     Eigenvalues ---    0.52196   0.52290   0.52656   0.53112   0.53226
     Eigenvalues ---    0.53392   0.53787   0.54294   0.54349   0.55020
     Eigenvalues ---    0.55288   0.55423   0.55623   0.55701   0.56016
     Eigenvalues ---    0.56177   0.56240   0.56461   0.56614   0.56769
     Eigenvalues ---    0.56932   0.57177   0.57258   0.57930   0.58232
     Eigenvalues ---    0.58285   0.58299   0.58335   0.58512   0.58641
     Eigenvalues ---    0.58911   0.58987   0.59429   0.59714   0.59811
     Eigenvalues ---    0.60063   0.60605   0.60886   0.61466   0.62007
     Eigenvalues ---    0.63249   0.63548   0.64280   0.65197   0.65627
     Eigenvalues ---    0.65960   0.66770   0.67811   0.68872   0.72091
     Eigenvalues ---    0.73158   0.74582   0.78001   0.80245   0.81437
     Eigenvalues ---    0.85538   1.01573   4.74931
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    28   27   26   25   24
 RFO step:  Lambda=-1.26687694D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.98330   -2.00000    0.17717   -0.19959    0.03912
 Iteration  1 RMS(Cart)=  0.02706858 RMS(Int)=  0.00048512
 Iteration  2 RMS(Cart)=  0.00079235 RMS(Int)=  0.00000453
 Iteration  3 RMS(Cart)=  0.00000070 RMS(Int)=  0.00000451
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63950  -0.00001  -0.00033  -0.00015  -0.00048   2.63902
    R2        2.65465  -0.00006  -0.00037   0.00005  -0.00032   2.65433
    R3        2.67536  -0.00008   0.00077   0.00015   0.00092   2.67627
    R4        2.64619   0.00002   0.00042   0.00017   0.00059   2.64678
    R5        2.04657  -0.00000  -0.00023   0.00023   0.00000   2.04657
    R6        2.66443   0.00023   0.00011   0.00021   0.00032   2.66474
    R7        2.78698   0.00035  -0.00117   0.00046  -0.00070   2.78628
    R8        2.64837  -0.00010   0.00003   0.00006   0.00009   2.64846
    R9        2.78020   0.00009   0.00053   0.00038   0.00091   2.78111
   R10        2.62080   0.00002   0.00023  -0.00004   0.00019   2.62098
   R11        2.04820  -0.00005   0.00002  -0.00010  -0.00008   2.04812
   R12        2.04888  -0.00003   0.00004  -0.00003   0.00000   2.04888
   R13        2.67764   0.00000   0.00017   0.00012   0.00029   2.67793
   R14        2.64542   0.00005   0.00027   0.00020   0.00047   2.64588
   R15        2.83254   0.00048  -0.00363   0.00044  -0.00320   2.82934
   R16        2.64726  -0.00018   0.00062   0.00011   0.00073   2.64799
   R17        2.84057   0.00027  -0.00017  -0.00007  -0.00022   2.84034
   R18        2.68965   0.00054  -0.00244  -0.00004  -0.00248   2.68717
   R19        2.43427   0.00018   0.00003   0.00024   0.00027   2.43453
   R20        2.63752   0.00003  -0.00005  -0.00015  -0.00019   2.63733
   R21        2.04600  -0.00002  -0.00018   0.00015  -0.00003   2.04597
   R22        2.64482  -0.00012   0.00018   0.00015   0.00032   2.64515
   R23        2.67478  -0.00002   0.00020   0.00002   0.00023   2.67500
   R24        2.62328   0.00006  -0.00031  -0.00014  -0.00045   2.62283
   R25        2.04868  -0.00000   0.00006  -0.00008  -0.00002   2.04866
   R26        2.04105  -0.00000   0.00008  -0.00017  -0.00009   2.04096
   R27        2.69819  -0.00028   0.00097  -0.00000   0.00096   2.69915
   R28        3.33370   0.00016   0.00285  -0.00042   0.00243   3.33613
   R29        2.67158   0.00012  -0.00074   0.00036  -0.00039   2.67119
   R30        2.65315   0.00002  -0.00053   0.00037  -0.00016   2.65299
   R31        2.61508  -0.00011   0.00118  -0.00010   0.00108   2.61616
   R32        2.65193   0.00014  -0.00065   0.00022  -0.00043   2.65150
   R33        2.62593  -0.00013   0.00067  -0.00034   0.00033   2.62626
   R34        2.03728   0.00029  -0.00033   0.00035   0.00003   2.03731
   R35        2.65051   0.00025  -0.00060   0.00034  -0.00026   2.65025
   R36        2.04941  -0.00000  -0.00005   0.00011   0.00006   2.04947
   R37        2.62531  -0.00002   0.00027  -0.00027   0.00000   2.62531
   R38        2.68024  -0.00014   0.00105  -0.00025   0.00080   2.68104
   R39        2.04797  -0.00003  -0.00001   0.00003   0.00002   2.04799
   R40        2.65186  -0.00009  -0.00056  -0.00002  -0.00058   2.65128
   R41        2.65183  -0.00001  -0.00097  -0.00001  -0.00098   2.65085
   R42        2.65027  -0.00004  -0.00024   0.00018  -0.00006   2.65021
   R43        2.64989  -0.00004   0.00000   0.00007   0.00007   2.64996
   R44        2.64720   0.00006  -0.00094   0.00014  -0.00079   2.64641
   R45        2.64604  -0.00002  -0.00021   0.00008  -0.00013   2.64591
   R46        2.67830  -0.00002   0.00015   0.00002   0.00017   2.67847
   R47        2.64063  -0.00003  -0.00013   0.00008  -0.00005   2.64058
   R48        2.73730  -0.00005   0.00014   0.00009   0.00023   2.73753
   R49        2.64481  -0.00001  -0.00008   0.00012   0.00004   2.64486
   R50        2.67933   0.00001   0.00002   0.00004   0.00006   2.67939
   R51        2.64458  -0.00000   0.00014  -0.00005   0.00009   2.64467
   R52        2.64151  -0.00003   0.00007  -0.00009  -0.00002   2.64149
   R53        2.67851  -0.00003   0.00011   0.00012   0.00023   2.67873
   R54        2.64113  -0.00006  -0.00010  -0.00002  -0.00013   2.64100
   R55        2.73679  -0.00006   0.00026  -0.00002   0.00024   2.73703
   R56        2.64453   0.00000   0.00009   0.00006   0.00015   2.64467
   R57        2.67874  -0.00001   0.00030   0.00000   0.00030   2.67904
   R58        2.64449   0.00001  -0.00004   0.00014   0.00010   2.64459
   R59        2.64117   0.00001  -0.00008   0.00002  -0.00006   2.64111
   R60        2.67988  -0.00007   0.00036  -0.00003   0.00033   2.68021
   R61        2.64071  -0.00003   0.00009  -0.00007   0.00002   2.64073
   R62        2.73662  -0.00000   0.00003   0.00020   0.00023   2.73685
   R63        2.64498   0.00002   0.00009  -0.00000   0.00009   2.64507
   R64        2.68002  -0.00004   0.00027  -0.00010   0.00017   2.68019
   R65        2.64491  -0.00002   0.00006   0.00005   0.00010   2.64501
   R66        2.64118  -0.00006  -0.00009  -0.00012  -0.00021   2.64097
   R67        2.63000  -0.00005  -0.00000   0.00016   0.00016   2.63015
   R68        2.05262  -0.00001  -0.00002  -0.00000  -0.00002   2.05260
   R69        2.65486  -0.00001   0.00006  -0.00001   0.00005   2.65491
   R70        2.05142  -0.00001   0.00009  -0.00009   0.00000   2.05142
   R71        2.63352   0.00001   0.00001   0.00003   0.00004   2.63356
   R72        2.05236   0.00002  -0.00015   0.00001  -0.00013   2.05222
   R73        2.04896  -0.00003  -0.00003   0.00010   0.00007   2.04903
   R74        2.63295  -0.00004   0.00011  -0.00003   0.00009   2.63303
   R75        2.04908  -0.00001   0.00042  -0.00052  -0.00011   2.04897
   R76        2.65524   0.00000  -0.00002   0.00004   0.00002   2.65526
   R77        2.05216  -0.00001  -0.00004  -0.00001  -0.00004   2.05212
   R78        2.62975  -0.00004   0.00016   0.00001   0.00017   2.62991
   R79        2.05145  -0.00000   0.00002  -0.00002   0.00000   2.05146
   R80        2.05265  -0.00001   0.00001  -0.00001  -0.00001   2.05264
   R81        2.62989  -0.00005   0.00017  -0.00009   0.00008   2.62997
   R82        2.05257   0.00003   0.00009  -0.00016  -0.00008   2.05249
   R83        2.65437   0.00000   0.00009   0.00009   0.00017   2.65454
   R84        2.05140  -0.00001  -0.00004  -0.00000  -0.00004   2.05135
   R85        2.63294  -0.00006   0.00003   0.00002   0.00005   2.63299
   R86        2.05210  -0.00001  -0.00003  -0.00002  -0.00005   2.05205
   R87        2.04841  -0.00005   0.00003   0.00004   0.00007   2.04848
   R88        2.63288   0.00000  -0.00009   0.00007  -0.00002   2.63286
   R89        2.04863  -0.00005   0.00009  -0.00006   0.00003   2.04866
   R90        2.65478  -0.00003   0.00029  -0.00004   0.00026   2.65504
   R91        2.05215  -0.00001   0.00002  -0.00001   0.00001   2.05216
   R92        2.62953  -0.00000   0.00008   0.00008   0.00017   2.62970
   R93        2.05144  -0.00000  -0.00001   0.00001   0.00000   2.05144
   R94        2.05266  -0.00001   0.00001  -0.00000   0.00000   2.05266
   R95        2.62986  -0.00000  -0.00003   0.00015   0.00012   2.62998
   R96        2.05274  -0.00001   0.00006  -0.00007  -0.00001   2.05273
   R97        2.65536  -0.00002   0.00016  -0.00002   0.00015   2.65551
   R98        2.05148  -0.00001  -0.00002  -0.00001  -0.00003   2.05146
   R99        2.63273   0.00000  -0.00003   0.00007   0.00004   2.63277
   R100       2.05233  -0.00000  -0.00004  -0.00000  -0.00004   2.05228
   R101       2.04927  -0.00001  -0.00001   0.00011   0.00010   2.04936
   R102       2.63262   0.00000   0.00011  -0.00006   0.00005   2.63268
   R103       2.04903  -0.00001   0.00007   0.00007   0.00014   2.04917
   R104       2.65545  -0.00002   0.00003   0.00011   0.00015   2.65560
   R105       2.05227  -0.00001  -0.00002   0.00000  -0.00002   2.05225
   R106       2.62964  -0.00002   0.00010   0.00002   0.00012   2.62976
   R107       2.05143   0.00001   0.00006  -0.00001   0.00005   2.05148
   R108       2.05278  -0.00001  -0.00006  -0.00001  -0.00007   2.05270
   R109       2.78588  -0.00024   0.00024  -0.00011   0.00013   2.78601
   R110       3.02482   0.00048   0.00103  -0.00095   0.00008   3.02490
   R111       3.04069   0.00001   0.00210  -0.00240  -0.00030   3.04039
   R112       2.77012   0.00061  -0.00318   0.00051  -0.00267   2.76746
   R113       2.76200  -0.00018   0.00037  -0.00121  -0.00084   2.76116
   R114       2.86266   0.00008   0.00041   0.00016   0.00057   2.86323
   R115       2.06133  -0.00004   0.00024   0.00004   0.00028   2.06161
   R116       2.06668  -0.00002   0.00036  -0.00013   0.00023   2.06691
   R117       2.06912  -0.00001   0.00010  -0.00000   0.00009   2.06922
   R118       2.06646   0.00005  -0.00010   0.00003  -0.00007   2.06639
   R119       2.06512  -0.00002  -0.00007   0.00001  -0.00005   2.06507
   R120       2.86617  -0.00005   0.00034   0.00021   0.00055   2.86672
   R121       2.06504   0.00007  -0.00020   0.00017  -0.00003   2.06502
   R122       2.06678   0.00004  -0.00038   0.00027  -0.00011   2.06666
   R123       2.06924   0.00000  -0.00008   0.00005  -0.00003   2.06921
   R124       2.06546   0.00003  -0.00003  -0.00004  -0.00007   2.06539
   R125       2.06645   0.00004  -0.00011   0.00007  -0.00004   2.06641
   R126       5.25902   0.00016   0.03430   0.01081   0.04511   5.30413
    A1        2.08912  -0.00002   0.00064   0.00025   0.00088   2.09000
    A2        2.09454  -0.00002   0.00006  -0.00035  -0.00028   2.09425
    A3        2.09951   0.00004  -0.00070   0.00010  -0.00060   2.09891
    A4        2.11028   0.00003  -0.00012  -0.00040  -0.00052   2.10976
    A5        2.07013  -0.00005   0.00024   0.00012   0.00036   2.07049
    A6        2.10248   0.00002  -0.00012   0.00033   0.00021   2.10270
    A7        2.07596  -0.00005  -0.00055   0.00018  -0.00036   2.07560
    A8        2.14141   0.00007   0.00026  -0.00001   0.00026   2.14166
    A9        2.06228  -0.00002   0.00045  -0.00018   0.00026   2.06254
   A10        2.09072  -0.00002   0.00063   0.00006   0.00069   2.09141
   A11        2.09520   0.00002  -0.00023  -0.00019  -0.00043   2.09477
   A12        2.09690  -0.00000  -0.00047   0.00011  -0.00035   2.09656
   A13        2.10800   0.00001  -0.00032  -0.00030  -0.00062   2.10738
   A14        2.06732  -0.00002   0.00041  -0.00016   0.00025   2.06757
   A15        2.10786   0.00001  -0.00009   0.00047   0.00037   2.10824
   A16        2.08998   0.00006  -0.00025   0.00017  -0.00007   2.08990
   A17        2.08885  -0.00004  -0.00025  -0.00045  -0.00070   2.08815
   A18        2.10436  -0.00001   0.00049   0.00027   0.00077   2.10512
   A19        2.09589   0.00001   0.00019   0.00022   0.00040   2.09630
   A20        2.10217   0.00004   0.00004  -0.00030  -0.00025   2.10192
   A21        2.07937  -0.00005  -0.00002   0.00010   0.00008   2.07945
   A22        2.07049   0.00002   0.00178  -0.00090   0.00087   2.07136
   A23        2.06976   0.00002  -0.00024  -0.00006  -0.00030   2.06946
   A24        2.13855  -0.00004  -0.00183   0.00112  -0.00070   2.13785
   A25        1.94366  -0.00007   0.00319  -0.00007   0.00307   1.94673
   A26        2.05402   0.00014   0.00037   0.00126   0.00158   2.05560
   A27        2.01710  -0.00012   0.00043   0.00048   0.00085   2.01795
   A28        2.02672   0.00003   0.00134  -0.00040   0.00093   2.02765
   A29        2.08332   0.00011  -0.00204   0.00088  -0.00116   2.08216
   A30        2.17077  -0.00014   0.00074  -0.00062   0.00011   2.17088
   A31        2.11867   0.00002   0.00035  -0.00019   0.00016   2.11883
   A32        2.09629  -0.00003  -0.00069  -0.00001  -0.00071   2.09559
   A33        2.06762   0.00002   0.00033   0.00021   0.00054   2.06816
   A34        2.08036  -0.00003  -0.00027   0.00019  -0.00008   2.08028
   A35        2.09870   0.00011   0.00119  -0.00043   0.00076   2.09947
   A36        2.10328  -0.00009  -0.00092   0.00025  -0.00067   2.10262
   A37        2.09150   0.00000   0.00015  -0.00004   0.00011   2.09162
   A38        2.09101   0.00001  -0.00046   0.00004  -0.00042   2.09059
   A39        2.10028  -0.00002   0.00033  -0.00002   0.00031   2.10060
   A40        2.12166   0.00004   0.00021   0.00005   0.00025   2.12192
   A41        2.09863   0.00003  -0.00007   0.00014   0.00008   2.09871
   A42        2.06131  -0.00007  -0.00019  -0.00015  -0.00033   2.06098
   A43        2.08121   0.00008  -0.00057   0.00028  -0.00028   2.08093
   A44        2.05670   0.00029   0.00380  -0.00289   0.00091   2.05761
   A45        2.08151  -0.00032  -0.00300   0.00111  -0.00188   2.07964
   A46        2.07707  -0.00000   0.00083  -0.00051   0.00030   2.07737
   A47        2.14781  -0.00003  -0.00128   0.00068  -0.00058   2.14722
   A48        2.05728   0.00003   0.00024  -0.00003   0.00021   2.05749
   A49        2.14081   0.00007  -0.00039   0.00028  -0.00013   2.14068
   A50        2.10388  -0.00003   0.00009   0.00027   0.00036   2.10425
   A51        2.03825  -0.00004   0.00024  -0.00053  -0.00027   2.03798
   A52        2.07773   0.00011  -0.00104   0.00030  -0.00077   2.07697
   A53        2.11150  -0.00002   0.00012  -0.00035  -0.00024   2.11126
   A54        2.10617  -0.00004   0.00023   0.00029   0.00052   2.10669
   A55        2.06551   0.00007  -0.00036   0.00007  -0.00028   2.06523
   A56        2.11358   0.00008  -0.00088   0.00042  -0.00046   2.11313
   A57        2.08395  -0.00009   0.00083  -0.00012   0.00071   2.08466
   A58        2.08564   0.00001   0.00005  -0.00030  -0.00025   2.08539
   A59        2.06829  -0.00006   0.00070   0.00009   0.00079   2.06908
   A60        2.10545  -0.00003  -0.00021  -0.00018  -0.00040   2.10506
   A61        2.10944   0.00010  -0.00049   0.00010  -0.00039   2.10904
   A62        2.11136   0.00001  -0.00037  -0.00033  -0.00071   2.11065
   A63        2.05261  -0.00005   0.00174  -0.00011   0.00164   2.05425
   A64        2.11917   0.00004  -0.00137   0.00044  -0.00093   2.11824
   A65        2.19579   0.00003  -0.00035   0.00016  -0.00019   2.19560
   A66        2.19712   0.00001  -0.00002  -0.00027  -0.00029   2.19683
   A67        1.89028  -0.00003   0.00037   0.00011   0.00048   1.89075
   A68        2.19143  -0.00011  -0.00057   0.00031  -0.00026   2.19117
   A69        2.20029   0.00010   0.00047  -0.00042   0.00004   2.20033
   A70        1.89144   0.00000   0.00007   0.00010   0.00017   1.89162
   A71        2.19589   0.00002  -0.00002  -0.00003  -0.00007   2.19583
   A72        2.19526  -0.00001  -0.00009  -0.00007  -0.00017   2.19509
   A73        1.89185  -0.00001   0.00022   0.00013   0.00035   1.89220
   A74        1.90052   0.00001   0.00000  -0.00013  -0.00013   1.90039
   A75        2.25845   0.00000  -0.00002   0.00001  -0.00001   2.25844
   A76        2.12360  -0.00001   0.00006   0.00012   0.00019   2.12379
   A77        1.86628  -0.00000  -0.00003   0.00008   0.00006   1.86634
   A78        2.08592   0.00001  -0.00003  -0.00016  -0.00018   2.08573
   A79        2.33092  -0.00000   0.00006   0.00007   0.00013   2.33106
   A80        1.86649   0.00000  -0.00008   0.00002  -0.00007   1.86642
   A81        2.33017  -0.00002   0.00003   0.00014   0.00017   2.33034
   A82        2.08643   0.00002   0.00005  -0.00015  -0.00011   2.08632
   A83        1.90003  -0.00001   0.00003  -0.00007  -0.00004   1.90000
   A84        2.26145   0.00004   0.00007  -0.00020  -0.00013   2.26133
   A85        2.12087  -0.00003  -0.00011   0.00028   0.00016   2.12104
   A86        1.90051   0.00005  -0.00001  -0.00011  -0.00012   1.90039
   A87        2.26114  -0.00006  -0.00043  -0.00015  -0.00058   2.26056
   A88        2.12072   0.00001   0.00049   0.00030   0.00079   2.12151
   A89        1.86682  -0.00002  -0.00018   0.00004  -0.00014   1.86668
   A90        2.08742  -0.00001  -0.00024  -0.00032  -0.00057   2.08685
   A91        2.32880   0.00003   0.00045   0.00029   0.00073   2.32953
   A92        1.86661  -0.00001  -0.00023   0.00001  -0.00022   1.86639
   A93        2.32904   0.00000   0.00058   0.00009   0.00067   2.32971
   A94        2.08749   0.00001  -0.00034  -0.00010  -0.00044   2.08705
   A95        1.90055   0.00001   0.00005  -0.00004   0.00001   1.90056
   A96        2.26299   0.00001  -0.00042  -0.00008  -0.00050   2.26249
   A97        2.11911  -0.00003   0.00043   0.00012   0.00056   2.11967
   A98        1.90087  -0.00002   0.00022  -0.00016   0.00006   1.90093
   A99        2.25971  -0.00001  -0.00009  -0.00030  -0.00039   2.25932
   A100       2.12226   0.00003  -0.00011   0.00046   0.00035   2.12262
   A101       1.86550   0.00002  -0.00030   0.00008  -0.00022   1.86528
   A102       2.08592  -0.00001   0.00004  -0.00030  -0.00026   2.08566
   A103       2.33172  -0.00001   0.00027   0.00021   0.00048   2.33220
   A104       1.86534  -0.00000  -0.00002   0.00001  -0.00001   1.86533
   A105       2.33191   0.00003   0.00017   0.00023   0.00040   2.33231
   A106       2.08586  -0.00002  -0.00014  -0.00023  -0.00038   2.08549
   A107       1.90122   0.00001  -0.00012  -0.00006  -0.00018   1.90104
   A108       2.25964  -0.00005   0.00008  -0.00033  -0.00026   2.25938
   A109       2.12185   0.00004   0.00009   0.00042   0.00051   2.12235
   A110       2.08027   0.00000  -0.00003  -0.00003  -0.00006   2.08021
   A111       2.09976   0.00001   0.00012  -0.00001   0.00011   2.09987
   A112       2.10314  -0.00002  -0.00009   0.00004  -0.00005   2.10309
   A113       2.10390  -0.00000   0.00007   0.00006   0.00013   2.10403
   A114       2.09193  -0.00001  -0.00003  -0.00005  -0.00009   2.09185
   A115       2.08733   0.00001  -0.00003  -0.00001  -0.00004   2.08728
   A116       2.11933  -0.00000  -0.00010  -0.00000  -0.00010   2.11923
   A117       2.08578  -0.00000  -0.00005   0.00006   0.00001   2.08579
   A118       2.07804   0.00001   0.00016  -0.00006   0.00010   2.07814
   A119       2.05524   0.00002   0.00015  -0.00015  -0.00000   2.05523
   A120       2.11882   0.00000   0.00008  -0.00013  -0.00005   2.11877
   A121       2.10905  -0.00002  -0.00019   0.00026   0.00007   2.10912
   A122       2.05279   0.00001   0.00001  -0.00003  -0.00002   2.05277
   A123       2.11923  -0.00002  -0.00011   0.00003  -0.00008   2.11914
   A124       2.11112   0.00001   0.00010   0.00001   0.00010   2.11122
   A125       2.12021   0.00000  -0.00006  -0.00002  -0.00008   2.12013
   A126       2.07771  -0.00001  -0.00020   0.00018  -0.00002   2.07769
   A127       2.08526   0.00001   0.00026  -0.00017   0.00010   2.08535
   A128       2.10462  -0.00001   0.00007   0.00001   0.00008   2.10470
   A129       2.08707   0.00000  -0.00004   0.00003  -0.00001   2.08706
   A130       2.09147   0.00001  -0.00003  -0.00004  -0.00007   2.09140
   A131       2.07902  -0.00000  -0.00005   0.00007   0.00002   2.07904
   A132       2.10057   0.00001   0.00018  -0.00009   0.00009   2.10066
   A133       2.10358  -0.00001  -0.00013   0.00002  -0.00011   2.10347
   A134       2.08022   0.00000   0.00004   0.00000   0.00005   2.08027
   A135       2.09960   0.00001   0.00015  -0.00008   0.00008   2.09968
   A136       2.10336  -0.00001  -0.00019   0.00007  -0.00012   2.10324
   A137       2.10352  -0.00001   0.00014   0.00004   0.00018   2.10370
   A138       2.09216  -0.00001  -0.00022   0.00012  -0.00010   2.09206
   A139       2.08750   0.00001   0.00008  -0.00016  -0.00008   2.08742
   A140       2.11900   0.00001  -0.00004   0.00000  -0.00004   2.11896
   A141       2.08809  -0.00001  -0.00015  -0.00011  -0.00026   2.08783
   A142       2.07609   0.00000   0.00019   0.00011   0.00030   2.07639
   A143       2.05681   0.00002  -0.00019  -0.00009  -0.00028   2.05653
   A144       2.12038  -0.00001  -0.00032  -0.00007  -0.00039   2.12000
   A145       2.10597  -0.00001   0.00051   0.00016   0.00067   2.10664
   A146       2.05463   0.00001  -0.00028  -0.00005  -0.00034   2.05430
   A147       2.11959  -0.00001  -0.00013  -0.00021  -0.00034   2.11925
   A148       2.10889   0.00000   0.00041   0.00027   0.00068   2.10958
   A149       2.12018  -0.00001   0.00000  -0.00014  -0.00014   2.12004
   A150       2.07725   0.00003   0.00026  -0.00003   0.00023   2.07748
   A151       2.08574  -0.00002  -0.00026   0.00017  -0.00009   2.08565
   A152       2.10370  -0.00000   0.00015   0.00015   0.00030   2.10401
   A153       2.08738   0.00001  -0.00011  -0.00005  -0.00016   2.08722
   A154       2.09207  -0.00000  -0.00004  -0.00010  -0.00014   2.09193
   A155       2.07944  -0.00000  -0.00011   0.00008  -0.00003   2.07941
   A156       2.10005   0.00001  -0.00002   0.00010   0.00007   2.10012
   A157       2.10368  -0.00001   0.00013  -0.00018  -0.00004   2.10364
   A158       2.07998   0.00000   0.00006  -0.00005   0.00001   2.08000
   A159       2.10008   0.00001   0.00011  -0.00007   0.00003   2.10011
   A160       2.10311  -0.00001  -0.00018   0.00013  -0.00005   2.10307
   A161       2.10426   0.00001  -0.00000   0.00013   0.00013   2.10439
   A162       2.09179  -0.00000   0.00016  -0.00017  -0.00001   2.09179
   A163       2.08712  -0.00000  -0.00016   0.00004  -0.00012   2.08700
   A164       2.11960  -0.00002   0.00000  -0.00006  -0.00006   2.11954
   A165       2.08504   0.00002   0.00007  -0.00000   0.00006   2.08511
   A166       2.07853  -0.00000  -0.00007   0.00006  -0.00000   2.07853
   A167       2.05467  -0.00001  -0.00000  -0.00020  -0.00020   2.05447
   A168       2.11757  -0.00001  -0.00002  -0.00009  -0.00012   2.11745
   A169       2.11092   0.00002   0.00003   0.00029   0.00032   2.11124
   A170       2.05419  -0.00001   0.00010  -0.00027  -0.00017   2.05401
   A171       2.11791   0.00000  -0.00011  -0.00004  -0.00015   2.11776
   A172       2.11108   0.00000   0.00001   0.00032   0.00033   2.11141
   A173       2.11994  -0.00001  -0.00007  -0.00000  -0.00007   2.11987
   A174       2.07798   0.00002   0.00011  -0.00002   0.00009   2.07808
   A175       2.08526  -0.00000  -0.00004   0.00002  -0.00002   2.08524
   A176       2.10426   0.00001   0.00013   0.00009   0.00022   2.10449
   A177       2.08713  -0.00001  -0.00005  -0.00006  -0.00011   2.08703
   A178       2.09178   0.00000  -0.00008  -0.00003  -0.00012   2.09167
   A179       2.07969  -0.00000  -0.00007   0.00001  -0.00006   2.07963
   A180       2.10023   0.00001   0.00023  -0.00010   0.00013   2.10036
   A181       2.10325  -0.00001  -0.00016   0.00009  -0.00007   2.10319
   A182       2.01736  -0.00014   0.00289  -0.00136   0.00152   2.01889
   A183       1.84282   0.00028  -0.00533   0.00026  -0.00507   1.83775
   A184       1.72146   0.00010   0.00139  -0.00164  -0.00025   1.72121
   A185       2.02659   0.00028   0.00147   0.00024   0.00170   2.02828
   A186       2.03299  -0.00007  -0.00266   0.00273   0.00007   2.03307
   A187       1.78251  -0.00049   0.00186  -0.00050   0.00137   1.78388
   A188       2.12663   0.00122  -0.00047   0.00236   0.00189   2.12852
   A189       2.06680   0.00016   0.00631  -0.00096   0.00535   2.07215
   A190       1.89786  -0.00003   0.00086  -0.00150  -0.00063   1.89723
   A191       1.90661   0.00061  -0.00090   0.00127   0.00036   1.90697
   A192       1.84979  -0.00028   0.00174   0.00042   0.00216   1.85195
   A193       1.94937  -0.00065  -0.00121   0.00094  -0.00027   1.94910
   A194       1.95271   0.00011  -0.00027   0.00002  -0.00025   1.95246
   A195       1.90443   0.00027  -0.00009  -0.00113  -0.00123   1.90320
   A196       1.90755   0.00007   0.00027  -0.00007   0.00020   1.90775
   A197       1.94097  -0.00003  -0.00029   0.00016  -0.00014   1.94083
   A198       1.93251  -0.00007  -0.00005  -0.00069  -0.00075   1.93176
   A199       1.89171  -0.00001   0.00016  -0.00010   0.00006   1.89177
   A200       1.88950   0.00002   0.00022   0.00026   0.00048   1.88998
   A201       1.90044   0.00002  -0.00028   0.00045   0.00017   1.90061
   A202       1.91784   0.00036   0.00156   0.00219   0.00375   1.92159
   A203       1.83995  -0.00013  -0.00107  -0.00240  -0.00347   1.83648
   A204       1.91895  -0.00021  -0.00086  -0.00065  -0.00151   1.91744
   A205       1.95450  -0.00008  -0.00058   0.00023  -0.00035   1.95415
   A206       1.93938   0.00011  -0.00054   0.00170   0.00116   1.94054
   A207       1.89051  -0.00007   0.00145  -0.00134   0.00010   1.89061
   A208       1.91704  -0.00009  -0.00006  -0.00058  -0.00064   1.91640
   A209       1.92504   0.00014  -0.00074   0.00072  -0.00002   1.92501
   A210       1.93390  -0.00007   0.00013  -0.00032  -0.00019   1.93371
   A211       1.89252   0.00001  -0.00026   0.00054   0.00027   1.89279
   A212       1.89086   0.00004   0.00007  -0.00034  -0.00027   1.89059
   A213       1.90366  -0.00003   0.00088  -0.00002   0.00086   1.90452
   A214       2.30229  -0.00126  -0.01877  -0.00389  -0.02266   2.27962
    D1       -0.00184  -0.00000  -0.00052   0.00000  -0.00051  -0.00235
    D2        3.11396   0.00003  -0.00029   0.00214   0.00184   3.11580
    D3        3.13244  -0.00000  -0.00081   0.00021  -0.00060   3.13184
    D4       -0.03495   0.00004  -0.00058   0.00234   0.00176  -0.03320
    D5       -0.03739   0.00001   0.00047  -0.00056  -0.00010  -0.03749
    D6        3.10776   0.00001   0.00106   0.00043   0.00149   3.10925
    D7        3.11154   0.00001   0.00075  -0.00077  -0.00001   3.11152
    D8       -0.02649   0.00001   0.00135   0.00022   0.00157  -0.02492
    D9        2.26304  -0.00001  -0.00814  -0.00236  -0.01050   2.25254
   D10       -0.87641  -0.00002  -0.00615  -0.00210  -0.00825  -0.88466
   D11       -0.88592  -0.00000  -0.00843  -0.00215  -0.01058  -0.89650
   D12        2.25782  -0.00002  -0.00643  -0.00190  -0.00833   2.24949
   D13        0.05589  -0.00002  -0.00002   0.00049   0.00047   0.05636
   D14       -2.99375   0.00002  -0.00217   0.00067  -0.00150  -2.99525
   D15       -3.05942  -0.00005  -0.00026  -0.00168  -0.00194  -3.06136
   D16        0.17412  -0.00001  -0.00240  -0.00150  -0.00391   0.17021
   D17       -0.07114   0.00003   0.00058  -0.00045   0.00013  -0.07101
   D18        3.04159   0.00001  -0.00216  -0.00088  -0.00304   3.03855
   D19        2.98269  -0.00001   0.00262  -0.00061   0.00201   2.98471
   D20       -0.18777  -0.00002  -0.00012  -0.00104  -0.00116  -0.18893
   D21       -2.91568  -0.00005   0.00437   0.00028   0.00465  -2.91104
   D22        0.34199  -0.00000   0.00226   0.00002   0.00228   0.34427
   D23        0.31717  -0.00001   0.00229   0.00043   0.00272   0.31990
   D24       -2.70834   0.00004   0.00018   0.00018   0.00036  -2.70798
   D25        0.03299  -0.00001  -0.00062  -0.00012  -0.00074   0.03225
   D26       -3.11169  -0.00001  -0.00070  -0.00029  -0.00099  -3.11267
   D27       -3.07971  -0.00000   0.00212   0.00032   0.00244  -3.07727
   D28        0.05881   0.00000   0.00204   0.00015   0.00219   0.06100
   D29       -0.36056  -0.00000   0.00426  -0.00000   0.00425  -0.35631
   D30        2.85169   0.00002   0.00380   0.00223   0.00602   2.85771
   D31        2.75206  -0.00001   0.00153  -0.00044   0.00109   2.75315
   D32       -0.31887   0.00000   0.00107   0.00179   0.00286  -0.31602
   D33        0.02173  -0.00000   0.00010   0.00062   0.00072   0.02245
   D34       -3.12346  -0.00000  -0.00050  -0.00039  -0.00089  -3.12435
   D35       -3.11671  -0.00001   0.00018   0.00079   0.00097  -3.11574
   D36        0.02128  -0.00001  -0.00042  -0.00021  -0.00063   0.02065
   D37        0.12034   0.00004  -0.00810   0.00125  -0.00684   0.11349
   D38       -2.92337   0.00006  -0.00473  -0.00061  -0.00534  -2.92870
   D39       -3.13582  -0.00000  -0.00601   0.00148  -0.00453  -3.14036
   D40        0.10366   0.00002  -0.00264  -0.00039  -0.00303   0.10063
   D41        2.97992  -0.00006   0.00514   0.00004   0.00518   2.98510
   D42       -0.12373  -0.00009   0.00562  -0.00032   0.00529  -0.11844
   D43       -0.04668  -0.00002   0.00304  -0.00022   0.00282  -0.04387
   D44        3.13285  -0.00004   0.00351  -0.00058   0.00293   3.13578
   D45       -0.63896  -0.00002   0.01110  -0.00240   0.00872  -0.63024
   D46       -3.02611   0.00010   0.00639  -0.00450   0.00188  -3.02423
   D47        2.40067  -0.00004   0.00770  -0.00053   0.00718   2.40785
   D48        0.01352   0.00009   0.00299  -0.00263   0.00035   0.01386
   D49       -0.08345  -0.00002   0.00079   0.00050   0.00129  -0.08216
   D50        2.99658   0.00001  -0.00019   0.00138   0.00120   2.99778
   D51       -3.12312   0.00000   0.00408  -0.00131   0.00276  -3.12036
   D52       -0.04309   0.00003   0.00310  -0.00043   0.00267  -0.04042
   D53        0.75363  -0.00000  -0.00906   0.00187  -0.00720   0.74643
   D54       -2.46258  -0.00001  -0.00869  -0.00042  -0.00913  -2.47171
   D55       -3.12530  -0.00000  -0.00452   0.00429  -0.00022  -3.12552
   D56       -0.05833  -0.00001  -0.00415   0.00200  -0.00215  -0.06047
   D57        2.41608  -0.00019   0.00663  -0.00271   0.00393   2.42001
   D58       -1.10398  -0.00013   0.00673  -0.00672   0.00001  -1.10397
   D59        0.05985  -0.00009   0.00056  -0.00468  -0.00413   0.05572
   D60        2.82298  -0.00003   0.00067  -0.00870  -0.00805   2.81493
   D61        3.09808   0.00007   0.00428  -0.00120   0.00308   3.10117
   D62        0.03337   0.00008   0.00376   0.00121   0.00498   0.03835
   D63       -0.03371   0.00002  -0.00153   0.00072  -0.00082  -0.03452
   D64       -3.13145  -0.00002  -0.00155   0.00020  -0.00135  -3.13280
   D65        3.07055   0.00004  -0.00202   0.00107  -0.00095   3.06960
   D66       -0.02719   0.00001  -0.00203   0.00055  -0.00149  -0.02868
   D67        0.05569  -0.00002  -0.00037  -0.00060  -0.00097   0.05471
   D68       -3.05588  -0.00000  -0.00138   0.00007  -0.00131  -3.05720
   D69       -3.12988   0.00003  -0.00030  -0.00010  -0.00040  -3.13028
   D70        0.04174   0.00004  -0.00132   0.00058  -0.00074   0.04100
   D71       -2.23907   0.00003   0.00394   0.00143   0.00536  -2.23371
   D72        0.89594   0.00000  -0.00145  -0.00030  -0.00175   0.89419
   D73        0.94695  -0.00001   0.00391   0.00090   0.00481   0.95176
   D74       -2.20122  -0.00004  -0.00148  -0.00083  -0.00230  -2.20353
   D75        0.00341   0.00001   0.00072   0.00001   0.00073   0.00414
   D76       -3.07790  -0.00001   0.00167  -0.00087   0.00081  -3.07709
   D77        3.11482   0.00000   0.00173  -0.00067   0.00105   3.11587
   D78        0.03351  -0.00003   0.00268  -0.00154   0.00114   0.03465
   D79       -0.04262   0.00013   0.00284   0.00441   0.00724  -0.03538
   D80       -3.13434   0.00004   0.00783   0.00116   0.00899  -3.12535
   D81       -2.80034  -0.00006   0.00125   0.00936   0.01060  -2.78975
   D82        0.39112  -0.00016   0.00625   0.00611   0.01235   0.40347
   D83        0.16105  -0.00005   0.00018  -0.00058  -0.00039   0.16066
   D84       -2.10454  -0.00056   0.00059  -0.00008   0.00050  -2.10403
   D85        2.34171  -0.00014  -0.00061   0.00093   0.00032   2.34203
   D86        2.92412   0.00010   0.00082  -0.00478  -0.00396   2.92016
   D87        0.65852  -0.00041   0.00123  -0.00429  -0.00306   0.65547
   D88       -1.17841   0.00002   0.00003  -0.00327  -0.00325  -1.18165
   D89        0.01607  -0.00008  -0.00342  -0.00112  -0.00455   0.01152
   D90       -3.10152  -0.00005  -0.00029  -0.00203  -0.00232  -3.10383
   D91        3.11038   0.00001  -0.00820   0.00197  -0.00623   3.10414
   D92       -0.00720   0.00004  -0.00507   0.00106  -0.00400  -0.01121
   D93        3.12089   0.00005   0.00084   0.00078   0.00162   3.12251
   D94       -0.02357   0.00001  -0.00291   0.00246  -0.00045  -0.02401
   D95        0.02863  -0.00004   0.00577  -0.00242   0.00335   0.03198
   D96       -3.11582  -0.00008   0.00202  -0.00074   0.00128  -3.11454
   D97       -0.01133  -0.00003   0.00010  -0.00172  -0.00162  -0.01294
   D98        3.10710  -0.00006  -0.00294  -0.00083  -0.00376   3.10334
   D99       -0.01683  -0.00001   0.00161   0.00073   0.00234  -0.01449
   D100       3.11447   0.00001   0.00142   0.00109   0.00251   3.11698
   D101      -3.13578   0.00001   0.00458  -0.00014   0.00444  -3.13134
   D102      -0.00447   0.00003   0.00439   0.00022   0.00461   0.00014
   D103      -0.02668   0.00002  -0.00300   0.00201  -0.00099  -0.02768
   D104       3.11143   0.00003  -0.00236   0.00281   0.00045   3.11188
   D105       3.11770   0.00006   0.00066   0.00036   0.00102   3.11873
   D106      -0.02737   0.00007   0.00130   0.00117   0.00247  -0.02490
   D107       0.00222   0.00000  -0.00062  -0.00017  -0.00079   0.00144
   D108      -3.13752  -0.00002   0.00042  -0.00122  -0.00079  -3.13831
   D109      -3.13588  -0.00001  -0.00126  -0.00097  -0.00223  -3.13812
   D110       0.00756  -0.00003  -0.00022  -0.00202  -0.00224   0.00532
   D111       0.01930  -0.00001   0.00129  -0.00118   0.00011   0.01941
   D112      -3.11161  -0.00003   0.00147  -0.00155  -0.00008  -3.11169
   D113      -3.12415   0.00002   0.00024  -0.00013   0.00011  -3.12404
   D114       0.02812  -0.00000   0.00042  -0.00050  -0.00007   0.02805
   D115      -2.17315   0.00001   0.00248   0.00151   0.00398  -2.16917
   D116       0.94548   0.00004   0.00918   0.00347   0.01265   0.95813
   D117       0.97034  -0.00002   0.00354   0.00043   0.00398   0.97431
   D118      -2.19421   0.00002   0.01025   0.00239   0.01264  -2.18157
   D119       3.14080   0.00000   0.00187   0.00015   0.00201  -3.14038
   D120      -0.04422   0.00003   0.00340   0.00115   0.00456  -0.03966
   D121      -0.00262   0.00001   0.00016  -0.00007   0.00009  -0.00253
   D122       3.09555   0.00004   0.00170   0.00093   0.00263   3.09818
   D123      -3.13976  -0.00000  -0.00175  -0.00019  -0.00194   3.14148
   D124      -0.03354  -0.00002   0.00038  -0.00027   0.00011  -0.03343
   D125       0.00366  -0.00001  -0.00004   0.00003  -0.00001   0.00364
   D126       3.10989  -0.00003   0.00209  -0.00005   0.00203   3.11192
   D127       3.13333  -0.00003  -0.00429  -0.00087  -0.00516   3.12817
   D128       0.02936  -0.00002  -0.00569  -0.00101  -0.00670   0.02266
   D129      -0.00266  -0.00001   0.00030   0.00060   0.00090  -0.00176
   D130      -3.10663   0.00000  -0.00110   0.00046  -0.00064  -3.10727
   D131      -3.13456   0.00003   0.00421   0.00085   0.00507  -3.12950
   D132       0.05089   0.00001   0.00436   0.00068   0.00504   0.05593
   D133       0.00139   0.00001  -0.00041  -0.00062  -0.00103   0.00035
   D134      -3.09634  -0.00001  -0.00026  -0.00080  -0.00106  -3.09740
   D135       3.12116   0.00003   0.00508   0.00143   0.00651   3.12767
   D136       0.00751   0.00004   0.00479   0.00114   0.00593   0.01344
   D137      -0.00081  -0.00000  -0.00065  -0.00024  -0.00089  -0.00170
   D138      -3.11445   0.00001  -0.00094  -0.00054  -0.00148  -3.11593
   D139      -3.12221  -0.00003  -0.00522  -0.00136  -0.00658  -3.12879
   D140       0.05253  -0.00005  -0.00675  -0.00213  -0.00889   0.04364
   D141      -0.00024  -0.00000   0.00050   0.00032   0.00082   0.00059
   D142      -3.10868  -0.00001  -0.00103  -0.00046  -0.00148  -3.11017
   D143       0.00285   0.00001  -0.00008  -0.00034  -0.00042   0.00243
   D144      -3.12849   0.00001  -0.00098  -0.00005  -0.00104  -3.12952
   D145       3.11029  -0.00000   0.00119  -0.00022   0.00097   3.11126
   D146      -0.02105   0.00000   0.00029   0.00007   0.00036  -0.02069
   D147       3.12021  -0.00001   0.00133  -0.00001   0.00132   3.12153
   D148      -0.01090  -0.00001   0.00164   0.00013   0.00177  -0.00913
   D149       0.02044  -0.00000  -0.00023  -0.00016  -0.00038   0.02006
   D150      -3.11067   0.00001   0.00008  -0.00001   0.00007  -3.11061
   D151      -0.00197  -0.00000  -0.00017  -0.00004  -0.00021  -0.00218
   D152       3.12412  -0.00000  -0.00087   0.00025  -0.00062   3.12350
   D153       3.12731  -0.00001   0.00092  -0.00039   0.00053   3.12784
   D154      -0.02978  -0.00001   0.00022  -0.00010   0.00012  -0.02966
   D155       0.00628  -0.00000   0.00005  -0.00024  -0.00019   0.00610
   D156      -3.14114  -0.00001   0.00027  -0.00057  -0.00030  -3.14144
   D157      -3.12178   0.00001  -0.00114   0.00014  -0.00099  -3.12277
   D158       0.01398   0.00000  -0.00092  -0.00019  -0.00111   0.01287
   D159       0.00038  -0.00000   0.00035   0.00041   0.00076   0.00114
   D160       3.10231   0.00001   0.00023   0.00055   0.00078   3.10309
   D161      -3.12829  -0.00000   0.00094   0.00016   0.00110  -3.12719
   D162      -0.02636   0.00002   0.00081   0.00031   0.00112  -0.02524
   D163      -3.11605  -0.00000   0.00012  -0.00029  -0.00017  -3.11621
   D164       0.01910  -0.00000   0.00097  -0.00040   0.00056   0.01967
   D165       0.00850  -0.00000  -0.00065   0.00003  -0.00062   0.00788
   D166      -3.13953  -0.00000   0.00020  -0.00009   0.00011  -3.13942
   D167       3.11786  -0.00000  -0.00010  -0.00056  -0.00066   3.11720
   D168      -0.01062   0.00002  -0.00335   0.00109  -0.00226  -0.01287
   D169       0.02496  -0.00002   0.00006  -0.00074  -0.00068   0.02428
   D170      -3.10351   0.00000  -0.00319   0.00091  -0.00228  -3.10579
   D171       0.00061  -0.00001  -0.00022   0.00009  -0.00013   0.00048
   D172       3.12610   0.00001   0.00080   0.00047   0.00127   3.12737
   D173      -3.10172  -0.00003  -0.00158  -0.00081  -0.00239  -3.10411
   D174       0.02377  -0.00000  -0.00056  -0.00043  -0.00099   0.02278
   D175      -3.11669  -0.00002  -0.00132  -0.00031  -0.00163  -3.11832
   D176       0.01283  -0.00000  -0.00120   0.00002  -0.00118   0.01165
   D177      -0.02329   0.00001   0.00037   0.00079   0.00116  -0.02212
   D178       3.10623   0.00002   0.00049   0.00112   0.00162   3.10785
   D179       0.00161   0.00000   0.00019  -0.00007   0.00012   0.00172
   D180      -3.12951  -0.00000  -0.00048  -0.00034  -0.00082  -3.13033
   D181      -3.12071  -0.00003  -0.00102  -0.00051  -0.00154  -3.12225
   D182       0.03135  -0.00003  -0.00169  -0.00078  -0.00248   0.02888
   D183      -0.00678  -0.00000   0.00034  -0.00029   0.00004  -0.00674
   D184       3.14121  -0.00000   0.00012  -0.00005   0.00007   3.14129
   D185       3.11361   0.00003   0.00168   0.00020   0.00187   3.11548
   D186      -0.02158   0.00003   0.00146   0.00044   0.00190  -0.01968
   D187      -0.00324   0.00001  -0.00009   0.00003  -0.00006  -0.00330
   D188      -3.11293   0.00002  -0.00199   0.00011  -0.00189  -3.11482
   D189       3.12961   0.00001   0.00047   0.00025   0.00072   3.13033
   D190       0.01991   0.00002  -0.00143   0.00033  -0.00110   0.01882
   D191       3.12647  -0.00001   0.00090   0.00046   0.00136   3.12783
   D192      -0.01189  -0.00002   0.00117  -0.00014   0.00103  -0.01086
   D193      -0.00360  -0.00001   0.00016   0.00017   0.00033  -0.00327
   D194       3.14122  -0.00002   0.00043  -0.00043   0.00000   3.14122
   D195      -3.12440  -0.00000  -0.00052  -0.00058  -0.00110  -3.12550
   D196       0.00980   0.00000  -0.00102   0.00017  -0.00085   0.00895
   D197      -0.02201  -0.00002   0.00183  -0.00067   0.00115  -0.02086
   D198       3.11218  -0.00001   0.00133   0.00008   0.00141   3.11359
   D199       0.00151   0.00000   0.00054   0.00008   0.00061   0.00212
   D200      -3.13095  -0.00000  -0.00013   0.00020   0.00006  -3.13088
   D201       3.11777  -0.00001   0.00080   0.00033   0.00113   3.11890
   D202      -0.01468  -0.00001   0.00013   0.00045   0.00058  -0.01410
   D203       3.12452  -0.00001  -0.00034   0.00054   0.00020   3.12472
   D204      -0.01334  -0.00000  -0.00026   0.00003  -0.00023  -0.01357
   D205       0.01397   0.00000  -0.00067   0.00023  -0.00044   0.01353
   D206      -3.12389   0.00001  -0.00059  -0.00028  -0.00087  -3.12476
   D207      -0.00162  -0.00000  -0.00022   0.00011  -0.00011  -0.00173
   D208       3.12593   0.00002   0.00092   0.00051   0.00143   3.12736
   D209       3.12899   0.00000   0.00058  -0.00003   0.00055   3.12953
   D210      -0.02665   0.00002   0.00172   0.00037   0.00209  -0.02456
   D211       0.00453   0.00001   0.00073  -0.00101  -0.00028   0.00424
   D212      -3.14088   0.00001   0.00017  -0.00014   0.00003  -3.14085
   D213      -3.12499   0.00001  -0.00015  -0.00085  -0.00101  -3.12599
   D214       0.01279   0.00000  -0.00071   0.00002  -0.00069   0.01210
   D215       0.00116   0.00000  -0.00017  -0.00027  -0.00043   0.00072
   D216       3.11272   0.00001   0.00122   0.00042   0.00164   3.11436
   D217      -3.12875  -0.00002  -0.00112  -0.00060  -0.00172  -3.13047
   D218      -0.01719  -0.00001   0.00027   0.00008   0.00035  -0.01684
   D219      -3.12140  -0.00002  -0.00118  -0.00014  -0.00132  -3.12272
   D220       0.01530  -0.00002  -0.00171   0.00030  -0.00141   0.01389
   D221       0.00475   0.00001   0.00008   0.00030   0.00038   0.00513
   D222       3.14145   0.00000  -0.00046   0.00074   0.00028  -3.14145
   D223       3.12187   0.00002   0.00122   0.00056   0.00178   3.12365
   D224      -0.01136   0.00002   0.00130   0.00029   0.00159  -0.00977
   D225       0.01708   0.00000  -0.00048  -0.00029  -0.00077   0.01631
   D226      -3.11615   0.00000  -0.00040  -0.00056  -0.00096  -3.11710
   D227       0.00956  -0.00000  -0.00035   0.00008  -0.00027   0.00929
   D228      -3.14006  -0.00001   0.00075  -0.00058   0.00017  -3.13989
   D229      -3.12558  -0.00000  -0.00120   0.00020  -0.00100  -3.12658
   D230       0.00799  -0.00001  -0.00010  -0.00046  -0.00057   0.00742
   D231      -0.01076  -0.00000   0.00125  -0.00055   0.00070  -0.01006
   D232       3.12152   0.00001   0.00174  -0.00021   0.00153   3.12305
   D233       3.13883   0.00001   0.00016   0.00012   0.00027   3.13911
   D234      -0.01207   0.00002   0.00065   0.00045   0.00110  -0.01097
   D235      -0.00649   0.00001  -0.00108   0.00086  -0.00022  -0.00671
   D236       3.12206  -0.00001   0.00215  -0.00078   0.00137   3.12343
   D237      -3.13881   0.00000  -0.00157   0.00053  -0.00104  -3.13985
   D238      -0.01026  -0.00002   0.00166  -0.00111   0.00055  -0.00972
   D239      -0.00572  -0.00000  -0.00017   0.00042   0.00025  -0.00547
   D240       3.14130   0.00000  -0.00015   0.00049   0.00034  -3.14155
   D241       3.12544  -0.00001  -0.00048   0.00028  -0.00020   3.12524
   D242      -0.01073  -0.00001  -0.00046   0.00035  -0.00010  -0.01083
   D243      -0.00850   0.00000   0.00051  -0.00060  -0.00009  -0.00859
   D244       3.14080  -0.00000   0.00022  -0.00016   0.00007   3.14087
   D245       3.12764   0.00000   0.00049  -0.00068  -0.00018   3.12746
   D246      -0.00624  -0.00001   0.00020  -0.00023  -0.00003  -0.00627
   D247       0.00807  -0.00000  -0.00044   0.00050   0.00006   0.00813
   D248      -3.12768   0.00000  -0.00066   0.00083   0.00017  -3.12751
   D249      -3.14125   0.00001  -0.00015   0.00005  -0.00010  -3.14135
   D250       0.00618   0.00001  -0.00037   0.00039   0.00001   0.00620
   D251      -0.00970  -0.00000   0.00064  -0.00030   0.00035  -0.00936
   D252       3.13667  -0.00001   0.00064  -0.00044   0.00019   3.13686
   D253       3.12865   0.00000   0.00037   0.00030   0.00067   3.12933
   D254      -0.00816  -0.00001   0.00036   0.00016   0.00052  -0.00764
   D255       0.00737   0.00000  -0.00021  -0.00006  -0.00028   0.00709
   D256      -3.13781   0.00002  -0.00051   0.00100   0.00048  -3.13732
   D257      -3.13899   0.00002  -0.00021   0.00008  -0.00012  -3.13911
   D258      -0.00098   0.00003  -0.00051   0.00115   0.00064  -0.00034
   D259       0.00845   0.00001  -0.00101   0.00054  -0.00047   0.00798
   D260      -3.12581   0.00000  -0.00052  -0.00021  -0.00072  -3.12653
   D261      -3.12958  -0.00001  -0.00072  -0.00051  -0.00123  -3.13081
   D262       0.01934  -0.00001  -0.00022  -0.00126  -0.00148   0.01787
   D263       0.00655  -0.00000   0.00003  -0.00045  -0.00042   0.00613
   D264      -3.14029   0.00000  -0.00010  -0.00015  -0.00025  -3.14053
   D265      -3.12304  -0.00002  -0.00009  -0.00078  -0.00087  -3.12391
   D266       0.01330  -0.00002  -0.00021  -0.00048  -0.00069   0.01261
   D267       0.00988  -0.00001  -0.00025  -0.00026  -0.00051   0.00936
   D268      -3.13992   0.00000   0.00043  -0.00015   0.00028  -3.13964
   D269      -3.12644  -0.00001  -0.00012  -0.00057  -0.00069  -3.12713
   D270       0.00695  -0.00000   0.00056  -0.00045   0.00011   0.00705
   D271      -0.00959   0.00001   0.00006   0.00064   0.00070  -0.00889
   D272       3.12559   0.00001   0.00028   0.00039   0.00067   3.12625
   D273       3.14022  -0.00000  -0.00062   0.00052  -0.00010   3.14012
   D274      -0.00778  -0.00000  -0.00040   0.00028  -0.00013  -0.00791
   D275       0.00700  -0.00000  -0.00020  -0.00048  -0.00068   0.00632
   D276      -3.14076   0.00000  -0.00034   0.00039   0.00005  -3.14071
   D277      -3.12970  -0.00000   0.00034  -0.00092  -0.00059  -3.13029
   D278       0.00573   0.00000   0.00019  -0.00005   0.00014   0.00587
   D279      -0.00696  -0.00000  -0.00002   0.00028   0.00025  -0.00671
   D280       3.13053  -0.00001  -0.00001   0.00067   0.00066   3.13119
   D281       3.14078  -0.00001   0.00012  -0.00059  -0.00047   3.14031
   D282      -0.00491  -0.00001   0.00013  -0.00020  -0.00007  -0.00498
   D283      -0.00506   0.00000   0.00035   0.00011   0.00047  -0.00459
   D284       3.12820   0.00000   0.00027   0.00038   0.00065   3.12886
   D285       3.14062   0.00001   0.00034  -0.00028   0.00007   3.14068
   D286      -0.00931   0.00001   0.00026  -0.00001   0.00025  -0.00905
   D287      -0.00354   0.00000   0.00036  -0.00034   0.00002  -0.00352
   D288       3.13934   0.00000  -0.00012   0.00023   0.00011   3.13944
   D289       3.13433  -0.00000   0.00029   0.00016   0.00045   3.13478
   D290      -0.00598   0.00000  -0.00019   0.00073   0.00054  -0.00544
   D291      -0.00627   0.00000   0.00049  -0.00022   0.00027  -0.00600
   D292       3.13938  -0.00001   0.00018  -0.00018  -0.00000   3.13937
   D293       3.13404   0.00000   0.00097  -0.00079   0.00018   3.13421
   D294      -0.00350  -0.00001   0.00066  -0.00076  -0.00009  -0.00360
   D295       0.00566  -0.00001  -0.00103   0.00090  -0.00013   0.00553
   D296      -3.13211  -0.00000  -0.00047   0.00003  -0.00044  -3.13256
   D297      -3.14000   0.00001  -0.00072   0.00087   0.00014  -3.13986
   D298       0.00542   0.00001  -0.00017  -0.00001  -0.00017   0.00524
   D299       1.75309  -0.00009   0.02458   0.00267   0.02725   1.78034
   D300      -0.50711  -0.00036   0.02417   0.00410   0.02828  -0.47883
   D301      -2.73816  -0.00007   0.02520   0.00081   0.02599  -2.71217
   D302      -3.08225  -0.00020  -0.00254  -0.01093  -0.01347  -3.09573
   D303      -0.91265  -0.00034   0.00061  -0.01235  -0.01173  -0.92438
   D304       1.31431  -0.00041   0.00225  -0.01064  -0.00840   1.30591
   D305      -2.33790  -0.00068  -0.01262   0.00100  -0.01162  -2.34951
   D306      -0.20640  -0.00111  -0.01412   0.00200  -0.01212  -0.21852
   D307       1.84328  -0.00064  -0.01374   0.00154  -0.01220   1.83109
   D308       1.86312  -0.00026  -0.03685  -0.02525  -0.06210   1.80102
   D309      -2.31091  -0.00024  -0.03734  -0.02520  -0.06254  -2.37345
   D310      -0.27675  -0.00050  -0.03664  -0.02840  -0.06504  -0.34179
   D311      -3.06862   0.00021   0.00057  -0.00055   0.00002  -3.06860
   D312      -0.98075   0.00022   0.00075  -0.00061   0.00014  -0.98060
   D313       1.13465   0.00018   0.00016  -0.00041  -0.00024   1.13441
   D314       1.10924  -0.00013   0.00188  -0.00172   0.00015   1.10939
   D315      -3.08607  -0.00012   0.00206  -0.00178   0.00028  -3.08580
   D316      -0.97068  -0.00016   0.00148  -0.00158  -0.00011  -0.97079
   D317      -1.03146  -0.00009   0.00308  -0.00095   0.00213  -1.02933
   D318       1.05641  -0.00008   0.00327  -0.00101   0.00225   1.05866
   D319      -3.11138  -0.00011   0.00268  -0.00081   0.00187  -3.10951
   D320      -0.86043  -0.00057   0.01327  -0.00925   0.00402  -0.85641
   D321       1.23978  -0.00061   0.01298  -0.00969   0.00330   1.24308
   D322      -2.87537  -0.00072   0.01174  -0.00982   0.00192  -2.87345
   D323       3.08303  -0.00006   0.00350  -0.00365  -0.00015   3.08288
   D324      -1.11516  -0.00002   0.00267  -0.00290  -0.00023  -1.11540
   D325       0.99455  -0.00001   0.00337  -0.00266   0.00071   0.99526
   D326       1.04439  -0.00007   0.00419  -0.00221   0.00198   1.04638
   D327       3.12938  -0.00003   0.00337  -0.00146   0.00190   3.13128
   D328      -1.04410  -0.00003   0.00406  -0.00122   0.00285  -1.04125
   D329      -1.07240  -0.00001   0.00312  -0.00185   0.00127  -1.07113
   D330       1.01259   0.00003   0.00229  -0.00110   0.00119   1.01378
   D331       3.12230   0.00004   0.00299  -0.00086   0.00213   3.12443
         Item               Value     Threshold  Converged?
 Maximum Force            0.001260     0.000450     NO 
 RMS     Force            0.000136     0.000300     YES
 Maximum Displacement     0.296130     0.001800     NO 
 RMS     Displacement     0.027345     0.001200     NO 
 Predicted change in Energy=-6.353218D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.597342    3.250415    0.107008
      2          6           0       -2.756868    1.870690    0.252459
      3          6           0       -1.652358    1.010610    0.207255
      4          6           0       -0.361637    1.564205    0.080715
      5          6           0       -0.209495    2.947757   -0.083163
      6          6           0       -1.313566    3.787218   -0.084561
      7          6           0       -1.786460   -0.457362    0.175162
      8          6           0       -0.656652   -1.279729    0.410582
      9          6           0        0.626192   -0.634261    0.834086
     10          6           0        0.823405    0.695248    0.161287
     11          6           0       -2.991472   -1.050943   -0.219809
     12          6           0       -3.088018   -2.426350   -0.435842
     13          6           0       -1.944932   -3.221629   -0.293755
     14          6           0       -0.751408   -2.647527    0.121333
     15          7           0        1.783424   -1.455758    0.923584
     16          6           0        3.033434   -0.953899    0.448471
     17          6           0        3.078075    0.331316   -0.138306
     18          7           0        1.957952    1.135536   -0.261402
     19          6           0        4.220559   -1.702663    0.480533
     20          6           0        5.409360   -1.179813   -0.014250
     21          6           0        5.453736    0.098022   -0.590479
     22          6           0        4.279613    0.837679   -0.656603
     23          7           0       -3.728585    4.101658    0.143952
     24          7           0       -4.315519   -3.000374   -0.845137
     25          7           0        6.671967    0.620587   -1.096119
     26          6           0       -4.954480   -4.085132   -0.227202
     27          6           0       -6.165007   -4.355853   -0.912996
     28          6           0       -6.261285   -3.396219   -1.993913
     29          6           0       -5.106704   -2.576339   -1.922479
     30          6           0       -3.868786    5.245987    0.943489
     31          6           0       -5.139494    5.824295    0.698054
     32          6           0       -5.796850    4.995276   -0.291089
     33          6           0       -4.901873    3.942539   -0.608268
     34          6           0        7.263146    1.832602   -0.718368
     35          6           0        8.478535    1.993289   -1.431533
     36          6           0        8.625815    0.828148   -2.279042
     37          6           0        7.495343    0.003961   -2.045996
     38          6           0       -7.201790   -3.176691   -3.006758
     39          6           0       -6.978691   -2.160778   -3.931583
     40          6           0       -5.819156   -1.370850   -3.858895
     41          6           0       -4.867220   -1.567865   -2.860307
     42          6           0       -4.571591   -4.814263    0.901651
     43          6           0       -5.412881   -5.842101    1.322574
     44          6           0       -6.608172   -6.135805    0.644837
     45          6           0       -6.991473   -5.394364   -0.468783
     46          6           0       -7.040476    5.060662   -0.929522
     47          6           0       -7.372947    4.089417   -1.869222
     48          6           0       -6.468795    3.061294   -2.183407
     49          6           0       -5.223505    2.975218   -1.564393
     50          6           0       -2.991346    5.782858    1.889553
     51          6           0       -3.395569    6.928964    2.570863
     52          6           0       -4.643734    7.525804    2.326216
     53          6           0       -5.520712    6.975714    1.396273
     54          6           0        9.592791    0.425047   -3.207251
     55          6           0        9.420447   -0.776515   -3.888021
     56          6           0        8.287227   -1.574038   -3.654676
     57          6           0        7.309779   -1.196934   -2.736312
     58          6           0        6.831451    2.777940    0.215837
     59          6           0        7.630033    3.901838    0.415826
     60          6           0        8.831277    4.083104   -0.290552
     61          6           0        9.261478    3.132444   -1.211282
     62          8           0        0.481572   -3.029717    2.760229
     63         15           0        1.776430   -2.766319    2.106390
     64          8           0        3.011096   -2.463752    3.079179
     65          8           0        2.359511   -3.938368    1.171030
     66          6           0        2.825337   -1.875347    4.407320
     67          6           0        3.847415   -0.773163    4.597700
     68          6           0        2.483936   -5.283962    1.726756
     69          6           0        1.362465   -6.166340    1.211973
     70          1           0       -3.751775    1.478513    0.423481
     71          1           0        0.790847    3.346495   -0.205572
     72          1           0       -1.194837    4.855406   -0.227428
     73          1           0       -3.865448   -0.437389   -0.398454
     74          1           0       -1.990163   -4.277539   -0.535200
     75          1           0        0.126985   -3.274546    0.163027
     76          1           0        4.232633   -2.697916    0.894802
     77          1           0        6.317702   -1.769078    0.048122
     78          1           0        4.255974    1.818525   -1.116927
     79          1           0       -8.091770   -3.795941   -3.072090
     80          1           0       -7.701890   -1.980022   -4.720737
     81          1           0       -5.653799   -0.594109   -4.599643
     82          1           0       -3.967553   -0.963789   -2.822931
     83          1           0       -3.658614   -4.584947    1.439728
     84          1           0       -5.137756   -6.423682    2.197402
     85          1           0       -7.240414   -6.944032    0.999139
     86          1           0       -7.922155   -5.613968   -0.984014
     87          1           0       -7.735326    5.861892   -0.695225
     88          1           0       -8.336459    4.127054   -2.367823
     89          1           0       -6.741887    2.313406   -2.921821
     90          1           0       -4.529012    2.184965   -1.825652
     91          1           0       -2.032888    5.320990    2.097675
     92          1           0       -2.730080    7.364907    3.310038
     93          1           0       -4.926985    8.419577    2.873403
     94          1           0       -6.491412    7.429285    1.217697
     95          1           0       10.464032    1.045675   -3.396250
     96          1           0       10.164033   -1.100136   -4.609716
     97          1           0        8.166017   -2.503597   -4.203013
     98          1           0        6.432446   -1.812555   -2.570823
     99          1           0        5.909082    2.642963    0.769810
    100          1           0        7.314768    4.651809    1.135238
    101          1           0        9.428966    4.971624   -0.112176
    102          1           0       10.194393    3.269735   -1.750493
    103          1           0        1.805289   -1.498400    4.494483
    104          1           0        2.967025   -2.690366    5.122852
    105          1           0        3.766708   -0.376390    5.615070
    106          1           0        4.864521   -1.147753    4.453174
    107          1           0        3.668359    0.044740    3.895447
    108          1           0        3.465121   -5.638891    1.402063
    109          1           0        2.479715   -5.236569    2.819352
    110          1           0        1.494077   -7.187981    1.583323
    111          1           0        0.396119   -5.793363    1.560717
    112          1           0        1.361917   -6.195302    0.118861
    113         17           0        0.308018    0.135981    2.772496
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351416           0.0181500           0.0142851
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10692.9884060386 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000737   -0.000150    0.000550 Ang=  -0.11 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48609003     A.U. after   10 cycles
            NFock= 10  Conv=0.97D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000342291    0.000280915   -0.000014441
      2        6           0.000272584   -0.000142987   -0.000216318
      3        6          -0.000169564    0.000558749    0.000047262
      4        6           0.000261487   -0.000077095    0.000165627
      5        6          -0.000124306   -0.000073899   -0.000023350
      6        6           0.000062162   -0.000121188    0.000066116
      7        6          -0.000029737   -0.000496537    0.000105589
      8        6          -0.000922462   -0.000792321   -0.000634693
      9        6           0.000222532    0.000639240    0.000897156
     10        6          -0.000167538    0.000629929   -0.000813926
     11        6           0.000114775    0.000077724   -0.000018151
     12        6           0.000099253   -0.000126843   -0.000163902
     13        6          -0.000373968   -0.000073579    0.000131638
     14        6           0.000136721    0.000447847    0.000054235
     15        7           0.001349088   -0.000222211   -0.000263965
     16        6          -0.000391861   -0.000785979   -0.000310448
     17        6          -0.000791321    0.000476171    0.000109404
     18        7           0.000468956   -0.000449242    0.000104236
     19        6           0.000477383    0.000404954   -0.000024498
     20        6          -0.000289871   -0.000187675    0.000107534
     21        6           0.000280916    0.000552273   -0.000283627
     22        6           0.000425633   -0.000064868   -0.000089451
     23        7           0.000404813   -0.000154431    0.000106172
     24        7          -0.000006677    0.000199118   -0.000015985
     25        7          -0.000239626   -0.000432153    0.000082702
     26        6           0.000052890   -0.000041126   -0.000118408
     27        6           0.000044250   -0.000008776   -0.000033177
     28        6           0.000019906   -0.000019100    0.000044161
     29        6           0.000093461   -0.000074687    0.000032356
     30        6          -0.000084378    0.000011744   -0.000135053
     31        6           0.000033388   -0.000028177    0.000009470
     32        6           0.000094388   -0.000000471   -0.000014372
     33        6          -0.000172727   -0.000089345    0.000151098
     34        6           0.000116583    0.000287851   -0.000061345
     35        6          -0.000122362   -0.000132531    0.000068874
     36        6          -0.000005520    0.000001348   -0.000020651
     37        6           0.000054169    0.000106327    0.000065614
     38        6           0.000031624    0.000071435   -0.000003553
     39        6          -0.000019013   -0.000020319    0.000073059
     40        6           0.000020096   -0.000118051    0.000036027
     41        6          -0.000097192    0.000070456    0.000126405
     42        6          -0.000110483   -0.000051200    0.000006881
     43        6          -0.000002806    0.000067747   -0.000049321
     44        6          -0.000062105    0.000074311   -0.000013205
     45        6           0.000046016   -0.000006810    0.000055206
     46        6           0.000035591   -0.000067106   -0.000028637
     47        6           0.000067284    0.000066574   -0.000015679
     48        6           0.000059797    0.000019266    0.000066129
     49        6          -0.000096671    0.000075420   -0.000097302
     50        6          -0.000066373   -0.000029537   -0.000014612
     51        6          -0.000063516    0.000015585   -0.000014027
     52        6           0.000058292   -0.000020485   -0.000022335
     53        6           0.000051255   -0.000000893   -0.000021391
     54        6          -0.000041270   -0.000021305    0.000031731
     55        6          -0.000043549   -0.000017992    0.000046783
     56        6           0.000062839    0.000034395    0.000018866
     57        6          -0.000010503   -0.000011745    0.000006182
     58        6           0.000030577   -0.000008019   -0.000009967
     59        6           0.000016979   -0.000018218   -0.000032337
     60        6           0.000023131   -0.000055721    0.000027348
     61        6          -0.000073236    0.000020813    0.000006160
     62        8           0.000141834   -0.000018144   -0.000320675
     63       15          -0.000509016   -0.000135759    0.000046017
     64        8           0.000492127   -0.000464024   -0.000685505
     65        8           0.000383813    0.000108658   -0.000134948
     66        6          -0.000384967    0.000739977    0.000696091
     67        6          -0.000099270    0.000021490    0.000078083
     68        6          -0.000688784    0.000125546   -0.000284385
     69        6          -0.000048402   -0.000071722    0.000424545
     70        1          -0.000049062    0.000043024    0.000001692
     71        1          -0.000019326   -0.000045957    0.000003936
     72        1           0.000038723   -0.000009365   -0.000015854
     73        1          -0.000047008   -0.000057422    0.000150375
     74        1           0.000062505    0.000024224   -0.000046230
     75        1           0.000000604   -0.000046488    0.000008476
     76        1          -0.000082691   -0.000228035    0.000163330
     77        1          -0.000050758   -0.000074072    0.000008413
     78        1          -0.000150896   -0.000060964    0.000044360
     79        1           0.000009710   -0.000001007   -0.000018419
     80        1           0.000016565   -0.000023616   -0.000000390
     81        1          -0.000000708    0.000047235   -0.000037397
     82        1           0.000001253   -0.000070284   -0.000068834
     83        1           0.000023793    0.000007188    0.000008252
     84        1           0.000005242   -0.000004580   -0.000002682
     85        1           0.000013086   -0.000005956   -0.000013005
     86        1           0.000008367   -0.000000196   -0.000001676
     87        1          -0.000048373    0.000028477    0.000023057
     88        1          -0.000021449   -0.000021449    0.000027044
     89        1           0.000002245   -0.000002146   -0.000009567
     90        1          -0.000042506    0.000026767   -0.000004826
     91        1          -0.000032998    0.000042209    0.000002719
     92        1          -0.000019227    0.000006209   -0.000004979
     93        1          -0.000008236   -0.000006803    0.000003666
     94        1           0.000007492    0.000005519    0.000013424
     95        1          -0.000001358   -0.000006432   -0.000014231
     96        1           0.000005741    0.000005013    0.000001667
     97        1          -0.000012028    0.000002667   -0.000026050
     98        1           0.000020657    0.000033376   -0.000006078
     99        1           0.000042725    0.000012218   -0.000021330
    100        1           0.000011656    0.000003513   -0.000002185
    101        1          -0.000016949    0.000005214   -0.000011101
    102        1           0.000011844    0.000006219   -0.000001420
    103        1          -0.000107905   -0.000527182    0.000253029
    104        1           0.000046285   -0.000024515   -0.000103973
    105        1           0.000022830    0.000013765   -0.000058359
    106        1           0.000063308   -0.000041137   -0.000013767
    107        1           0.000017546   -0.000033143   -0.000036708
    108        1          -0.000001722   -0.000063539    0.000009287
    109        1           0.000477312    0.000144773    0.000172015
    110        1           0.000096195   -0.000032966   -0.000040727
    111        1          -0.000035471    0.000009446   -0.000124754
    112        1           0.000005890    0.000053245   -0.000058714
    113       17          -0.000218129    0.000413363    0.000757397
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001349088 RMS     0.000225150

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003637132 RMS     0.000296760
 Search for a local minimum.
 Step number  29 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   23   24   25   26   27
                                                     28   29
 DE= -8.64D-05 DEPred=-6.35D-05 R= 1.36D+00
 TightC=F SS=  1.41D+00  RLast= 1.43D-01 DXNew= 2.1488D+00 4.2949D-01
 Trust test= 1.36D+00 RLast= 1.43D-01 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1
 ITU=  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00159   0.00405   0.00602   0.00810   0.00968
     Eigenvalues ---    0.01294   0.01522   0.01874   0.02375   0.02463
     Eigenvalues ---    0.02486   0.02540   0.02554   0.02585   0.02601
     Eigenvalues ---    0.02631   0.02636   0.02671   0.02685   0.02695
     Eigenvalues ---    0.02699   0.02704   0.02713   0.02719   0.02748
     Eigenvalues ---    0.02762   0.02773   0.02779   0.02795   0.02801
     Eigenvalues ---    0.02805   0.02808   0.02812   0.02814   0.02826
     Eigenvalues ---    0.02834   0.02850   0.02861   0.02870   0.02875
     Eigenvalues ---    0.02879   0.02885   0.02890   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02908   0.02915   0.02917   0.02918
     Eigenvalues ---    0.02925   0.02928   0.02938   0.02945   0.02948
     Eigenvalues ---    0.02951   0.02951   0.02954   0.02956   0.02961
     Eigenvalues ---    0.02963   0.02965   0.02971   0.02973   0.02976
     Eigenvalues ---    0.02990   0.02992   0.02997   0.03000   0.03004
     Eigenvalues ---    0.03019   0.03027   0.03034   0.03048   0.03056
     Eigenvalues ---    0.03059   0.03064   0.03078   0.03091   0.03096
     Eigenvalues ---    0.03103   0.03119   0.03131   0.03138   0.03142
     Eigenvalues ---    0.03166   0.03175   0.03177   0.03195   0.03226
     Eigenvalues ---    0.03239   0.03250   0.03275   0.03304   0.03390
     Eigenvalues ---    0.03455   0.03591   0.03898   0.05213   0.05301
     Eigenvalues ---    0.05626   0.05767   0.05788   0.05915   0.05920
     Eigenvalues ---    0.06147   0.06268   0.07155   0.08291   0.11566
     Eigenvalues ---    0.11797   0.12165   0.13371   0.13733   0.14024
     Eigenvalues ---    0.15167   0.15906   0.15947   0.15981   0.15990
     Eigenvalues ---    0.15993   0.15995   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16004   0.16007   0.16009   0.16014   0.16035
     Eigenvalues ---    0.16046   0.16082   0.16137   0.16310   0.18166
     Eigenvalues ---    0.19723   0.21033   0.21186   0.21719   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22005   0.22222
     Eigenvalues ---    0.22381   0.22454   0.22514   0.22575   0.22601
     Eigenvalues ---    0.22603   0.22613   0.22654   0.22681   0.22841
     Eigenvalues ---    0.23331   0.23465   0.23570   0.23750   0.24151
     Eigenvalues ---    0.24355   0.24470   0.24488   0.24520   0.24528
     Eigenvalues ---    0.24546   0.24616   0.24716   0.24779   0.24890
     Eigenvalues ---    0.24915   0.24974   0.24978   0.24981   0.24986
     Eigenvalues ---    0.24990   0.24993   0.25010   0.25049   0.25175
     Eigenvalues ---    0.25254   0.25873   0.26203   0.26542   0.27169
     Eigenvalues ---    0.27404   0.28077   0.28739   0.28833   0.29066
     Eigenvalues ---    0.29293   0.29360   0.29643   0.29788   0.30220
     Eigenvalues ---    0.30491   0.30655   0.30720   0.30852   0.30949
     Eigenvalues ---    0.31136   0.31183   0.31271   0.31381   0.31489
     Eigenvalues ---    0.31534   0.31697   0.32136   0.32233   0.32558
     Eigenvalues ---    0.33139   0.33333   0.33565   0.33965   0.34047
     Eigenvalues ---    0.34217   0.34496   0.34669   0.34937   0.35096
     Eigenvalues ---    0.35156   0.35471   0.35556   0.35865   0.36391
     Eigenvalues ---    0.36776   0.36849   0.37137   0.37310   0.39041
     Eigenvalues ---    0.39983   0.41527   0.41709   0.42059   0.42759
     Eigenvalues ---    0.43248   0.43453   0.43689   0.45285   0.45920
     Eigenvalues ---    0.47091   0.47109   0.47158   0.47255   0.47671
     Eigenvalues ---    0.47817   0.49676   0.50096   0.50257   0.50477
     Eigenvalues ---    0.50606   0.51172   0.51677   0.52052   0.52085
     Eigenvalues ---    0.52265   0.52656   0.53078   0.53171   0.53364
     Eigenvalues ---    0.53752   0.54190   0.54329   0.54411   0.55021
     Eigenvalues ---    0.55328   0.55594   0.55674   0.55709   0.56056
     Eigenvalues ---    0.56185   0.56253   0.56462   0.56621   0.56755
     Eigenvalues ---    0.56930   0.57176   0.57545   0.57935   0.58232
     Eigenvalues ---    0.58285   0.58306   0.58365   0.58519   0.58647
     Eigenvalues ---    0.58912   0.58993   0.59423   0.59712   0.59811
     Eigenvalues ---    0.60080   0.60609   0.60886   0.61491   0.62026
     Eigenvalues ---    0.63256   0.63567   0.64332   0.65193   0.65923
     Eigenvalues ---    0.66762   0.67622   0.68107   0.68960   0.72091
     Eigenvalues ---    0.73189   0.74592   0.79666   0.81028   0.81951
     Eigenvalues ---    0.85563   1.04159   5.63972
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    29   28   27   26   25   24
 RFO step:  Lambda=-1.30540925D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.23542   -0.48647   -0.85025    0.13316   -0.12644
                  RFO-DIIS coefs:    0.09458
 Iteration  1 RMS(Cart)=  0.03651072 RMS(Int)=  0.00108552
 Iteration  2 RMS(Cart)=  0.00184750 RMS(Int)=  0.00000595
 Iteration  3 RMS(Cart)=  0.00000424 RMS(Int)=  0.00000565
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000565
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63902   0.00006  -0.00057   0.00019  -0.00038   2.63864
    R2        2.65433  -0.00002  -0.00058   0.00018  -0.00040   2.65393
    R3        2.67627  -0.00019   0.00122  -0.00042   0.00080   2.67708
    R4        2.64678  -0.00011   0.00072  -0.00027   0.00045   2.64723
    R5        2.04657   0.00002  -0.00014   0.00013  -0.00002   2.04656
    R6        2.66474   0.00011   0.00046  -0.00005   0.00042   2.66516
    R7        2.78628   0.00047  -0.00108   0.00050  -0.00057   2.78570
    R8        2.64846  -0.00015   0.00001  -0.00001   0.00000   2.64847
    R9        2.78111  -0.00011   0.00128  -0.00040   0.00088   2.78200
   R10        2.62098  -0.00006   0.00037  -0.00013   0.00024   2.62122
   R11        2.04812  -0.00004  -0.00011   0.00004  -0.00007   2.04805
   R12        2.04888  -0.00001  -0.00002   0.00001  -0.00000   2.04888
   R13        2.67793  -0.00009   0.00031  -0.00001   0.00029   2.67822
   R14        2.64588  -0.00007   0.00062  -0.00022   0.00040   2.64628
   R15        2.82934   0.00103  -0.00454   0.00188  -0.00266   2.82667
   R16        2.64799  -0.00032   0.00093  -0.00035   0.00058   2.64857
   R17        2.84034   0.00041   0.00018   0.00023   0.00041   2.84075
   R18        2.68717   0.00079  -0.00353   0.00150  -0.00203   2.68514
   R19        2.43453  -0.00012   0.00013  -0.00004   0.00009   2.43462
   R20        2.63733   0.00002  -0.00019  -0.00002  -0.00021   2.63711
   R21        2.04597   0.00000  -0.00014   0.00012  -0.00002   2.04595
   R22        2.64515  -0.00019   0.00025  -0.00011   0.00014   2.64529
   R23        2.67500  -0.00012   0.00038  -0.00018   0.00020   2.67520
   R24        2.62283   0.00013  -0.00049   0.00023  -0.00025   2.62258
   R25        2.04866  -0.00001   0.00001  -0.00005  -0.00004   2.04862
   R26        2.04096   0.00002  -0.00008  -0.00011  -0.00019   2.04077
   R27        2.69915  -0.00038   0.00145  -0.00015   0.00129   2.70044
   R28        3.33613   0.00013   0.00308  -0.00068   0.00241   3.33854
   R29        2.67119   0.00025  -0.00085   0.00053  -0.00033   2.67086
   R30        2.65299   0.00005  -0.00041   0.00054   0.00012   2.65311
   R31        2.61616  -0.00049   0.00179  -0.00084   0.00095   2.61711
   R32        2.65150   0.00028  -0.00078   0.00045  -0.00033   2.65117
   R33        2.62626  -0.00022   0.00067  -0.00037   0.00030   2.62657
   R34        2.03731   0.00025   0.00001  -0.00031  -0.00030   2.03701
   R35        2.65025   0.00024  -0.00052   0.00030  -0.00022   2.65003
   R36        2.04947  -0.00001   0.00002   0.00002   0.00004   2.04951
   R37        2.62531  -0.00003   0.00019  -0.00034  -0.00015   2.62516
   R38        2.68104  -0.00028   0.00123  -0.00049   0.00074   2.68177
   R39        2.04799  -0.00005  -0.00002   0.00002  -0.00000   2.04799
   R40        2.65128   0.00000  -0.00090   0.00025  -0.00066   2.65062
   R41        2.65085   0.00017  -0.00143   0.00043  -0.00100   2.64985
   R42        2.65021   0.00000  -0.00028   0.00018  -0.00010   2.65011
   R43        2.64996  -0.00010   0.00002  -0.00008  -0.00006   2.64990
   R44        2.64641   0.00019  -0.00121   0.00039  -0.00081   2.64559
   R45        2.64591  -0.00006  -0.00022   0.00006  -0.00016   2.64576
   R46        2.67847  -0.00008   0.00025  -0.00005   0.00020   2.67866
   R47        2.64058  -0.00003  -0.00014   0.00006  -0.00007   2.64051
   R48        2.73753  -0.00013   0.00026  -0.00009   0.00017   2.73769
   R49        2.64486  -0.00005   0.00000   0.00000   0.00000   2.64486
   R50        2.67939  -0.00002   0.00010  -0.00005   0.00005   2.67944
   R51        2.64467  -0.00005   0.00018  -0.00007   0.00011   2.64478
   R52        2.64149  -0.00005   0.00002  -0.00006  -0.00005   2.64145
   R53        2.67873  -0.00008   0.00024  -0.00007   0.00017   2.67891
   R54        2.64100  -0.00003  -0.00021   0.00006  -0.00015   2.64086
   R55        2.73703  -0.00014   0.00034  -0.00013   0.00021   2.73724
   R56        2.64467  -0.00003   0.00019  -0.00006   0.00014   2.64481
   R57        2.67904  -0.00006   0.00044  -0.00016   0.00029   2.67933
   R58        2.64459  -0.00002   0.00008  -0.00001   0.00007   2.64466
   R59        2.64111   0.00001  -0.00009   0.00007  -0.00002   2.64110
   R60        2.68021  -0.00015   0.00047  -0.00019   0.00028   2.68049
   R61        2.64073  -0.00004   0.00006  -0.00004   0.00002   2.64075
   R62        2.73685  -0.00008   0.00023  -0.00005   0.00017   2.73703
   R63        2.64507  -0.00001   0.00015  -0.00002   0.00013   2.64520
   R64        2.68019  -0.00008   0.00028  -0.00009   0.00019   2.68038
   R65        2.64501  -0.00006   0.00012  -0.00005   0.00007   2.64508
   R66        2.64097  -0.00001  -0.00029   0.00006  -0.00023   2.64074
   R67        2.63015  -0.00012   0.00012  -0.00004   0.00009   2.63024
   R68        2.05260  -0.00001  -0.00005   0.00001  -0.00004   2.05256
   R69        2.65491  -0.00005   0.00008  -0.00001   0.00007   2.65498
   R70        2.05142  -0.00002   0.00005  -0.00003   0.00003   2.05145
   R71        2.63356  -0.00003   0.00006  -0.00002   0.00004   2.63360
   R72        2.05222   0.00006  -0.00019   0.00000  -0.00019   2.05204
   R73        2.04903  -0.00005   0.00003   0.00003   0.00007   2.04910
   R74        2.63303  -0.00007   0.00011  -0.00005   0.00006   2.63309
   R75        2.04897   0.00003   0.00015  -0.00014   0.00001   2.04898
   R76        2.65526  -0.00003   0.00002  -0.00001   0.00002   2.65527
   R77        2.05212   0.00000  -0.00007   0.00002  -0.00005   2.05207
   R78        2.62991  -0.00011   0.00023  -0.00010   0.00013   2.63005
   R79        2.05146  -0.00000   0.00002  -0.00001   0.00001   2.05146
   R80        2.05264  -0.00001  -0.00001   0.00000  -0.00001   2.05264
   R81        2.62997  -0.00009   0.00014  -0.00006   0.00008   2.63005
   R82        2.05249   0.00006   0.00001  -0.00007  -0.00007   2.05243
   R83        2.65454  -0.00005   0.00021  -0.00004   0.00017   2.65471
   R84        2.05135   0.00001  -0.00008   0.00002  -0.00006   2.05129
   R85        2.63299  -0.00009   0.00003  -0.00005  -0.00002   2.63296
   R86        2.05205   0.00001  -0.00008   0.00003  -0.00005   2.05199
   R87        2.04848  -0.00004   0.00002   0.00002   0.00004   2.04852
   R88        2.63286  -0.00000  -0.00006   0.00002  -0.00004   2.63281
   R89        2.04866  -0.00004   0.00001  -0.00001   0.00000   2.04866
   R90        2.65504  -0.00012   0.00039  -0.00013   0.00026   2.65529
   R91        2.05216  -0.00001   0.00001  -0.00001   0.00000   2.05216
   R92        2.62970  -0.00008   0.00022  -0.00006   0.00015   2.62985
   R93        2.05144  -0.00000  -0.00000   0.00000   0.00000   2.05144
   R94        2.05266  -0.00001   0.00000  -0.00001  -0.00000   2.05266
   R95        2.62998  -0.00005   0.00009  -0.00001   0.00008   2.63006
   R96        2.05273  -0.00000   0.00002  -0.00001   0.00000   2.05274
   R97        2.65551  -0.00008   0.00021  -0.00006   0.00015   2.65566
   R98        2.05146   0.00000  -0.00005   0.00001  -0.00004   2.05142
   R99        2.63277  -0.00001   0.00003   0.00001   0.00004   2.63281
   R100       2.05228   0.00001  -0.00007   0.00001  -0.00005   2.05223
   R101       2.04936  -0.00004   0.00006  -0.00001   0.00005   2.04941
   R102       2.63268  -0.00003   0.00013  -0.00005   0.00008   2.63276
   R103       2.04917  -0.00005   0.00015  -0.00004   0.00012   2.04929
   R104       2.65560  -0.00007   0.00015  -0.00003   0.00012   2.65571
   R105       2.05225  -0.00000  -0.00005   0.00001  -0.00003   2.05221
   R106       2.62976  -0.00006   0.00016  -0.00005   0.00011   2.62987
   R107       2.05148  -0.00001   0.00010  -0.00002   0.00008   2.05156
   R108       2.05270   0.00001  -0.00013   0.00004  -0.00009   2.05261
   R109       2.78601  -0.00026   0.00020  -0.00003   0.00017   2.78618
   R110       3.02490   0.00041   0.00106  -0.00067   0.00040   3.02530
   R111       3.04039  -0.00007   0.00063   0.00006   0.00069   3.04109
   R112       2.76746   0.00174  -0.00403   0.00153  -0.00250   2.76496
   R113       2.76116  -0.00017  -0.00080  -0.00006  -0.00086   2.76030
   R114       2.86323  -0.00003   0.00081  -0.00015   0.00066   2.86389
   R115       2.06161   0.00045   0.00041   0.00023   0.00063   2.06224
   R116       2.06691  -0.00003   0.00039  -0.00014   0.00025   2.06717
   R117       2.06922  -0.00005   0.00013  -0.00009   0.00004   2.06926
   R118       2.06639   0.00007  -0.00007  -0.00004  -0.00010   2.06628
   R119       2.06507  -0.00001  -0.00013   0.00003  -0.00010   2.06497
   R120       2.86672  -0.00006   0.00061   0.00009   0.00070   2.86742
   R121       2.06502   0.00001   0.00001   0.00002   0.00004   2.06505
   R122       2.06666   0.00019  -0.00034   0.00048   0.00014   2.06680
   R123       2.06921   0.00004  -0.00007   0.00010   0.00003   2.06923
   R124       2.06539  -0.00002  -0.00005  -0.00009  -0.00014   2.06525
   R125       2.06641   0.00006  -0.00008   0.00005  -0.00003   2.06638
   R126       5.30413  -0.00003   0.06294  -0.00374   0.05919   5.36332
    A1        2.09000  -0.00015   0.00112  -0.00038   0.00073   2.09073
    A2        2.09425   0.00005  -0.00026   0.00002  -0.00024   2.09402
    A3        2.09891   0.00009  -0.00086   0.00036  -0.00050   2.09841
    A4        2.10976   0.00009  -0.00053   0.00020  -0.00034   2.10943
    A5        2.07049  -0.00011   0.00046  -0.00020   0.00026   2.07075
    A6        2.10270   0.00002   0.00012  -0.00001   0.00012   2.10281
    A7        2.07560   0.00002  -0.00064   0.00025  -0.00039   2.07521
    A8        2.14166  -0.00003   0.00061  -0.00038   0.00024   2.14190
    A9        2.06254   0.00001   0.00023   0.00004   0.00026   2.06280
   A10        2.09141  -0.00011   0.00099  -0.00039   0.00060   2.09201
   A11        2.09477   0.00018  -0.00060   0.00029  -0.00033   2.09444
   A12        2.09656  -0.00006  -0.00052   0.00015  -0.00037   2.09618
   A13        2.10738   0.00010  -0.00079   0.00031  -0.00049   2.10689
   A14        2.06757  -0.00008   0.00049  -0.00023   0.00027   2.06784
   A15        2.10824  -0.00002   0.00030  -0.00008   0.00022   2.10845
   A16        2.08990   0.00005  -0.00013   0.00006  -0.00007   2.08984
   A17        2.08815   0.00001  -0.00086   0.00030  -0.00057   2.08758
   A18        2.10512  -0.00007   0.00099  -0.00036   0.00063   2.10575
   A19        2.09630  -0.00002   0.00047   0.00004   0.00050   2.09679
   A20        2.10192   0.00004  -0.00033  -0.00025  -0.00057   2.10135
   A21        2.07945  -0.00003   0.00010   0.00013   0.00023   2.07968
   A22        2.07136  -0.00006   0.00176  -0.00061   0.00113   2.07249
   A23        2.06946   0.00006  -0.00048  -0.00007  -0.00055   2.06891
   A24        2.13785   0.00001  -0.00164   0.00082  -0.00080   2.13704
   A25        1.94673  -0.00013   0.00402  -0.00115   0.00283   1.94956
   A26        2.05560   0.00003   0.00170   0.00005   0.00173   2.05733
   A27        2.01795  -0.00004   0.00058  -0.00001   0.00052   2.01848
   A28        2.02765  -0.00005   0.00155  -0.00023   0.00131   2.02896
   A29        2.08216   0.00021  -0.00232   0.00070  -0.00161   2.08055
   A30        2.17088  -0.00017   0.00058  -0.00047   0.00010   2.17098
   A31        2.11883  -0.00001   0.00038  -0.00016   0.00022   2.11905
   A32        2.09559   0.00003  -0.00118   0.00036  -0.00082   2.09477
   A33        2.06816  -0.00002   0.00079  -0.00017   0.00062   2.06877
   A34        2.08028  -0.00001  -0.00030   0.00003  -0.00027   2.08001
   A35        2.09947   0.00004   0.00154  -0.00056   0.00098   2.10045
   A36        2.10262  -0.00003  -0.00121   0.00053  -0.00068   2.10194
   A37        2.09162  -0.00002   0.00024  -0.00002   0.00022   2.09184
   A38        2.09059   0.00007  -0.00061   0.00026  -0.00035   2.09024
   A39        2.10060  -0.00005   0.00038  -0.00023   0.00015   2.10074
   A40        2.12192   0.00000   0.00040  -0.00007   0.00032   2.12224
   A41        2.09871   0.00003   0.00040   0.00011   0.00051   2.09921
   A42        2.06098  -0.00004  -0.00082   0.00001  -0.00081   2.06016
   A43        2.08093  -0.00018  -0.00020   0.00000  -0.00020   2.08073
   A44        2.05761   0.00056   0.00382  -0.00296   0.00090   2.05851
   A45        2.07964  -0.00027  -0.00376   0.00202  -0.00169   2.07795
   A46        2.07737   0.00007   0.00065  -0.00042   0.00021   2.07758
   A47        2.14722  -0.00000  -0.00102   0.00141   0.00042   2.14764
   A48        2.05749  -0.00006   0.00023  -0.00086  -0.00064   2.05685
   A49        2.14068   0.00016  -0.00040   0.00036  -0.00006   2.14062
   A50        2.10425  -0.00010   0.00054   0.00029   0.00082   2.10507
   A51        2.03798  -0.00005  -0.00022  -0.00063  -0.00083   2.03715
   A52        2.07697   0.00016  -0.00118   0.00058  -0.00063   2.07634
   A53        2.11126   0.00008  -0.00018   0.00039   0.00020   2.11146
   A54        2.10669  -0.00018   0.00067  -0.00027   0.00040   2.10708
   A55        2.06523   0.00010  -0.00050  -0.00011  -0.00061   2.06462
   A56        2.11313   0.00014  -0.00078   0.00049  -0.00029   2.11284
   A57        2.08466  -0.00016   0.00094  -0.00045   0.00048   2.08515
   A58        2.08539   0.00002  -0.00016  -0.00004  -0.00019   2.08520
   A59        2.06908  -0.00017   0.00097  -0.00062   0.00035   2.06943
   A60        2.10506  -0.00001  -0.00046   0.00015  -0.00032   2.10474
   A61        2.10904   0.00018  -0.00050   0.00047  -0.00003   2.10901
   A62        2.11065   0.00012  -0.00087   0.00036  -0.00052   2.11013
   A63        2.05425  -0.00023   0.00246  -0.00088   0.00158   2.05583
   A64        2.11824   0.00010  -0.00159   0.00053  -0.00106   2.11719
   A65        2.19560   0.00004  -0.00031   0.00019  -0.00012   2.19547
   A66        2.19683   0.00009  -0.00029  -0.00003  -0.00033   2.19650
   A67        1.89075  -0.00013   0.00059  -0.00015   0.00044   1.89120
   A68        2.19117  -0.00008  -0.00069   0.00030  -0.00041   2.19076
   A69        2.20033   0.00012   0.00040  -0.00025   0.00014   2.20047
   A70        1.89162  -0.00004   0.00022  -0.00005   0.00016   1.89178
   A71        2.19583   0.00007  -0.00008   0.00005  -0.00005   2.19577
   A72        2.19509   0.00001  -0.00020   0.00007  -0.00016   2.19493
   A73        1.89220  -0.00008   0.00042  -0.00013   0.00028   1.89248
   A74        1.90039   0.00003  -0.00010  -0.00003  -0.00013   1.90026
   A75        2.25844   0.00002  -0.00005   0.00016   0.00010   2.25854
   A76        2.12379  -0.00005   0.00022  -0.00014   0.00007   2.12387
   A77        1.86634  -0.00002   0.00003   0.00002   0.00005   1.86639
   A78        2.08573   0.00005  -0.00020   0.00010  -0.00010   2.08563
   A79        2.33106  -0.00003   0.00018  -0.00012   0.00006   2.33111
   A80        1.86642   0.00002  -0.00012   0.00003  -0.00010   1.86633
   A81        2.33034  -0.00005   0.00016  -0.00001   0.00015   2.33049
   A82        2.08632   0.00003  -0.00005  -0.00002  -0.00006   2.08626
   A83        1.90000   0.00000  -0.00002   0.00003   0.00002   1.90001
   A84        2.26133   0.00005  -0.00001  -0.00009  -0.00011   2.26122
   A85        2.12104  -0.00005   0.00004   0.00007   0.00010   2.12114
   A86        1.90039   0.00007  -0.00005  -0.00001  -0.00006   1.90034
   A87        2.26056   0.00002  -0.00086   0.00030  -0.00057   2.25999
   A88        2.12151  -0.00009   0.00104  -0.00031   0.00073   2.12224
   A89        1.86668   0.00001  -0.00026   0.00008  -0.00017   1.86650
   A90        2.08685   0.00005  -0.00069   0.00018  -0.00050   2.08635
   A91        2.32953  -0.00006   0.00099  -0.00027   0.00071   2.33025
   A92        1.86639   0.00003  -0.00033   0.00011  -0.00022   1.86617
   A93        2.32971  -0.00008   0.00093  -0.00027   0.00065   2.33036
   A94        2.08705   0.00005  -0.00059   0.00016  -0.00043   2.08662
   A95        1.90056   0.00001   0.00005  -0.00004   0.00001   1.90056
   A96        2.26249   0.00008  -0.00067   0.00022  -0.00045   2.26204
   A97        2.11967  -0.00009   0.00071  -0.00023   0.00049   2.12016
   A98        1.90093  -0.00002   0.00018  -0.00006   0.00012   1.90105
   A99        2.25932   0.00003  -0.00045   0.00006  -0.00039   2.25893
   A100       2.12262  -0.00001   0.00028  -0.00001   0.00028   2.12289
   A101       1.86528   0.00005  -0.00036   0.00013  -0.00023   1.86505
   A102       2.08566   0.00001  -0.00023   0.00002  -0.00020   2.08546
   A103       2.33220  -0.00006   0.00059  -0.00016   0.00043   2.33264
   A104       1.86533   0.00000  -0.00002  -0.00002  -0.00003   1.86530
   A105       2.33231  -0.00001   0.00051  -0.00007   0.00043   2.33274
   A106       2.08549   0.00001  -0.00047   0.00008  -0.00038   2.08510
   A107       1.90104   0.00004  -0.00023   0.00008  -0.00014   1.90090
   A108       2.25938  -0.00002  -0.00026   0.00001  -0.00026   2.25912
   A109       2.12235  -0.00002   0.00057  -0.00010   0.00047   2.12283
   A110       2.08021   0.00001  -0.00007   0.00000  -0.00006   2.08015
   A111       2.09987   0.00000   0.00022  -0.00004   0.00018   2.10005
   A112       2.10309  -0.00001  -0.00014   0.00003  -0.00011   2.10298
   A113       2.10403  -0.00001   0.00016  -0.00002   0.00014   2.10417
   A114       2.09185  -0.00001  -0.00013   0.00000  -0.00013   2.09172
   A115       2.08728   0.00002  -0.00002   0.00001  -0.00001   2.08727
   A116       2.11923   0.00002  -0.00017   0.00003  -0.00014   2.11909
   A117       2.08579  -0.00001  -0.00002   0.00003   0.00001   2.08580
   A118       2.07814  -0.00001   0.00020  -0.00006   0.00014   2.07828
   A119       2.05523   0.00001   0.00013  -0.00007   0.00006   2.05529
   A120       2.11877   0.00001  -0.00001   0.00000  -0.00001   2.11877
   A121       2.10912  -0.00002  -0.00009   0.00006  -0.00003   2.10908
   A122       2.05277   0.00001  -0.00001   0.00005   0.00004   2.05280
   A123       2.11914  -0.00001  -0.00022   0.00006  -0.00016   2.11898
   A124       2.11122  -0.00000   0.00022  -0.00011   0.00012   2.11134
   A125       2.12013   0.00002  -0.00011   0.00004  -0.00007   2.12005
   A126       2.07769  -0.00001  -0.00015   0.00001  -0.00014   2.07755
   A127       2.08535  -0.00001   0.00026  -0.00005   0.00021   2.08557
   A128       2.10470  -0.00002   0.00012  -0.00006   0.00006   2.10476
   A129       2.08706   0.00001  -0.00004   0.00000  -0.00004   2.08702
   A130       2.09140   0.00001  -0.00008   0.00005  -0.00002   2.09137
   A131       2.07904   0.00000  -0.00000   0.00001   0.00001   2.07905
   A132       2.10066  -0.00000   0.00021  -0.00006   0.00015   2.10082
   A133       2.10347   0.00000  -0.00021   0.00004  -0.00016   2.10330
   A134       2.08027  -0.00000   0.00007   0.00000   0.00008   2.08034
   A135       2.09968   0.00001   0.00016  -0.00005   0.00011   2.09979
   A136       2.10324  -0.00000  -0.00024   0.00005  -0.00019   2.10305
   A137       2.10370  -0.00002   0.00022  -0.00007   0.00015   2.10385
   A138       2.09206   0.00000  -0.00022   0.00005  -0.00017   2.09189
   A139       2.08742   0.00001  -0.00000   0.00002   0.00002   2.08744
   A140       2.11896   0.00001  -0.00005   0.00000  -0.00005   2.11891
   A141       2.08783  -0.00000  -0.00032   0.00007  -0.00025   2.08758
   A142       2.07639  -0.00001   0.00038  -0.00007   0.00030   2.07670
   A143       2.05653   0.00004  -0.00034   0.00012  -0.00022   2.05631
   A144       2.12000  -0.00000  -0.00053   0.00015  -0.00038   2.11961
   A145       2.10664  -0.00004   0.00087  -0.00027   0.00060   2.10724
   A146       2.05430   0.00004  -0.00047   0.00017  -0.00030   2.05400
   A147       2.11925   0.00000  -0.00042   0.00018  -0.00024   2.11901
   A148       2.10958  -0.00005   0.00090  -0.00034   0.00055   2.11013
   A149       2.12004   0.00001  -0.00014   0.00002  -0.00013   2.11991
   A150       2.07748   0.00001   0.00042  -0.00004   0.00038   2.07786
   A151       2.08565  -0.00002  -0.00028   0.00003  -0.00025   2.08540
   A152       2.10401  -0.00003   0.00038  -0.00011   0.00027   2.10428
   A153       2.08722   0.00002  -0.00019   0.00008  -0.00011   2.08711
   A154       2.09193   0.00001  -0.00018   0.00003  -0.00015   2.09178
   A155       2.07941   0.00002  -0.00009   0.00005  -0.00004   2.07936
   A156       2.10012   0.00001   0.00008  -0.00001   0.00007   2.10019
   A157       2.10364  -0.00002   0.00001  -0.00003  -0.00002   2.10361
   A158       2.08000   0.00001   0.00005  -0.00001   0.00005   2.08005
   A159       2.10011   0.00001   0.00012   0.00002   0.00014   2.10025
   A160       2.10307  -0.00002  -0.00018  -0.00001  -0.00019   2.10287
   A161       2.10439   0.00000   0.00013  -0.00001   0.00012   2.10450
   A162       2.09179  -0.00001   0.00008  -0.00004   0.00005   2.09183
   A163       2.08700   0.00001  -0.00021   0.00005  -0.00016   2.08684
   A164       2.11954  -0.00001  -0.00007  -0.00001  -0.00008   2.11946
   A165       2.08511   0.00000   0.00013  -0.00002   0.00012   2.08523
   A166       2.07853   0.00001  -0.00007   0.00003  -0.00004   2.07849
   A167       2.05447   0.00001  -0.00021   0.00004  -0.00017   2.05430
   A168       2.11745  -0.00001  -0.00014   0.00002  -0.00012   2.11733
   A169       2.11124   0.00000   0.00035  -0.00006   0.00029   2.11153
   A170       2.05401   0.00002  -0.00011   0.00001  -0.00010   2.05391
   A171       2.11776  -0.00001  -0.00020   0.00004  -0.00016   2.11760
   A172       2.11141  -0.00001   0.00031  -0.00005   0.00026   2.11167
   A173       2.11987  -0.00001  -0.00013   0.00001  -0.00011   2.11975
   A174       2.07808   0.00002   0.00019  -0.00001   0.00017   2.07825
   A175       2.08524  -0.00001  -0.00006   0.00000  -0.00006   2.08519
   A176       2.10449  -0.00002   0.00030  -0.00006   0.00024   2.10473
   A177       2.08703   0.00001  -0.00015   0.00003  -0.00012   2.08691
   A178       2.09167   0.00001  -0.00016   0.00003  -0.00012   2.09155
   A179       2.07963   0.00001  -0.00011   0.00002  -0.00009   2.07954
   A180       2.10036  -0.00000   0.00029  -0.00005   0.00024   2.10060
   A181       2.10319  -0.00001  -0.00017   0.00003  -0.00015   2.10304
   A182       2.01889   0.00055   0.00267   0.00030   0.00296   2.02185
   A183       1.83775   0.00096  -0.00734   0.00150  -0.00585   1.83190
   A184       1.72121  -0.00114  -0.00075   0.00005  -0.00070   1.72051
   A185       2.02828  -0.00013   0.00214  -0.00086   0.00127   2.02955
   A186       2.03307   0.00000   0.00034  -0.00003   0.00030   2.03337
   A187       1.78388  -0.00039   0.00194  -0.00079   0.00113   1.78501
   A188       2.12852   0.00364   0.00028   0.00210   0.00238   2.13090
   A189       2.07215  -0.00072   0.00836  -0.00468   0.00368   2.07583
   A190       1.89723  -0.00058  -0.00017  -0.00091  -0.00108   1.89615
   A191       1.90697   0.00225  -0.00056   0.00321   0.00265   1.90963
   A192       1.85195  -0.00085   0.00311  -0.00164   0.00147   1.85343
   A193       1.94910  -0.00073  -0.00075  -0.00036  -0.00112   1.94798
   A194       1.95246   0.00049  -0.00032   0.00005  -0.00027   1.95220
   A195       1.90320  -0.00052  -0.00111  -0.00032  -0.00143   1.90177
   A196       1.90775   0.00007   0.00057   0.00006   0.00062   1.90838
   A197       1.94083  -0.00005  -0.00047   0.00004  -0.00043   1.94040
   A198       1.93176  -0.00003  -0.00084  -0.00003  -0.00087   1.93089
   A199       1.89177  -0.00001   0.00018  -0.00006   0.00012   1.89189
   A200       1.88998   0.00000   0.00063   0.00011   0.00074   1.89072
   A201       1.90061   0.00001  -0.00001  -0.00012  -0.00013   1.90048
   A202       1.92159   0.00035   0.00503   0.00131   0.00633   1.92792
   A203       1.83648  -0.00012  -0.00430  -0.00055  -0.00485   1.83162
   A204       1.91744  -0.00023  -0.00210  -0.00024  -0.00236   1.91508
   A205       1.95415  -0.00004  -0.00087   0.00022  -0.00064   1.95351
   A206       1.94054   0.00017   0.00163   0.00076   0.00239   1.94293
   A207       1.89061  -0.00016   0.00019  -0.00162  -0.00144   1.88917
   A208       1.91640  -0.00006  -0.00090   0.00046  -0.00044   1.91596
   A209       1.92501   0.00014   0.00022   0.00014   0.00036   1.92538
   A210       1.93371  -0.00010  -0.00046  -0.00047  -0.00094   1.93277
   A211       1.89279   0.00004   0.00034   0.00058   0.00092   1.89371
   A212       1.89059   0.00003  -0.00027  -0.00023  -0.00050   1.89009
   A213       1.90452  -0.00005   0.00109  -0.00047   0.00062   1.90515
   A214       2.27962   0.00309  -0.03199   0.00446  -0.02753   2.25209
    D1       -0.00235   0.00002  -0.00084   0.00036  -0.00048  -0.00283
    D2        3.11580   0.00001   0.00186   0.00012   0.00197   3.11778
    D3        3.13184   0.00003  -0.00101   0.00032  -0.00069   3.13114
    D4       -0.03320   0.00002   0.00169   0.00007   0.00176  -0.03144
    D5       -0.03749   0.00000   0.00005   0.00039   0.00044  -0.03706
    D6        3.10925  -0.00001   0.00210  -0.00064   0.00146   3.11071
    D7        3.11152  -0.00001   0.00021   0.00044   0.00065   3.11217
    D8       -0.02492  -0.00002   0.00227  -0.00059   0.00167  -0.02324
    D9        2.25254   0.00005  -0.01359   0.00279  -0.01080   2.24174
   D10       -0.88466   0.00003  -0.01056   0.00212  -0.00844  -0.89310
   D11       -0.89650   0.00006  -0.01375   0.00274  -0.01101  -0.90751
   D12        2.24949   0.00004  -0.01072   0.00207  -0.00865   2.24084
   D13        0.05636  -0.00002   0.00057  -0.00082  -0.00025   0.05612
   D14       -2.99525   0.00003  -0.00203   0.00040  -0.00163  -2.99688
   D15       -3.06136  -0.00001  -0.00218  -0.00056  -0.00275  -3.06410
   D16        0.17021   0.00004  -0.00479   0.00066  -0.00413   0.16608
   D17       -0.07101   0.00001   0.00041   0.00055   0.00096  -0.07004
   D18        3.03855   0.00005  -0.00484   0.00228  -0.00256   3.03599
   D19        2.98471  -0.00004   0.00292  -0.00063   0.00229   2.98699
   D20       -0.18893  -0.00000  -0.00233   0.00110  -0.00123  -0.19016
   D21       -2.91104  -0.00010   0.00769  -0.00398   0.00371  -2.90733
   D22        0.34427  -0.00004   0.00520  -0.00323   0.00196   0.34623
   D23        0.31990  -0.00005   0.00515  -0.00278   0.00236   0.32226
   D24       -2.70798   0.00001   0.00265  -0.00203   0.00062  -2.70736
   D25        0.03225   0.00001  -0.00119   0.00018  -0.00100   0.03124
   D26       -3.11267   0.00001  -0.00142   0.00029  -0.00113  -3.11380
   D27       -3.07727  -0.00003   0.00407  -0.00155   0.00252  -3.07475
   D28        0.06100  -0.00003   0.00383  -0.00144   0.00239   0.06339
   D29       -0.35631  -0.00007   0.00626  -0.00132   0.00493  -0.35138
   D30        2.85771  -0.00000   0.00916  -0.00138   0.00778   2.86549
   D31        2.75315  -0.00004   0.00102   0.00040   0.00142   2.75457
   D32       -0.31602   0.00003   0.00392   0.00035   0.00427  -0.31175
   D33        0.02245  -0.00002   0.00096  -0.00066   0.00030   0.02274
   D34       -3.12435  -0.00001  -0.00112   0.00038  -0.00074  -3.12509
   D35       -3.11574  -0.00002   0.00120  -0.00077   0.00043  -3.11531
   D36        0.02065  -0.00000  -0.00088   0.00027  -0.00061   0.02004
   D37        0.11349   0.00011  -0.01105   0.00433  -0.00672   0.10678
   D38       -2.92870   0.00009  -0.00695   0.00274  -0.00421  -2.93292
   D39       -3.14036   0.00006  -0.00861   0.00357  -0.00505   3.13778
   D40        0.10063   0.00003  -0.00452   0.00198  -0.00254   0.09809
   D41        2.98510  -0.00010   0.00681  -0.00246   0.00435   2.98945
   D42       -0.11844  -0.00013   0.00720  -0.00321   0.00399  -0.11445
   D43       -0.04387  -0.00004   0.00432  -0.00171   0.00260  -0.04126
   D44        3.13578  -0.00007   0.00471  -0.00247   0.00225   3.13803
   D45       -0.63024  -0.00010   0.01341  -0.00400   0.00942  -0.62082
   D46       -3.02423   0.00009   0.00582  -0.00267   0.00315  -3.02108
   D47        2.40785  -0.00007   0.00923  -0.00240   0.00683   2.41468
   D48        0.01386   0.00012   0.00164  -0.00107   0.00056   0.01442
   D49       -0.08216  -0.00002   0.00178  -0.00093   0.00085  -0.08131
   D50        2.99778   0.00000   0.00121  -0.00009   0.00112   2.99890
   D51       -3.12036  -0.00004   0.00584  -0.00250   0.00334  -3.11702
   D52       -0.04042  -0.00002   0.00527  -0.00166   0.00361  -0.03681
   D53        0.74643   0.00006  -0.01074   0.00245  -0.00830   0.73813
   D54       -2.47171   0.00000  -0.01393   0.00257  -0.01138  -2.48309
   D55       -3.12552  -0.00009  -0.00284   0.00118  -0.00165  -3.12717
   D56       -0.06047  -0.00015  -0.00603   0.00130  -0.00474  -0.06521
   D57        2.42001  -0.00013   0.00601  -0.00238   0.00363   2.42363
   D58       -1.10397   0.00012   0.00505  -0.00456   0.00047  -1.10349
   D59        0.05572   0.00010  -0.00335  -0.00052  -0.00387   0.05185
   D60        2.81493   0.00035  -0.00432  -0.00270  -0.00703   2.80791
   D61        3.10117   0.00001   0.00531  -0.00091   0.00440   3.10557
   D62        0.03835   0.00008   0.00844  -0.00099   0.00745   0.04580
   D63       -0.03452   0.00004  -0.00130   0.00035  -0.00095  -0.03547
   D64       -3.13280   0.00000  -0.00214   0.00029  -0.00185  -3.13465
   D65        3.06960   0.00007  -0.00173   0.00110  -0.00063   3.06897
   D66       -0.02868   0.00003  -0.00257   0.00105  -0.00153  -0.03020
   D67        0.05471  -0.00002  -0.00152   0.00073  -0.00079   0.05392
   D68       -3.05720   0.00001  -0.00213   0.00074  -0.00139  -3.05858
   D69       -3.13028   0.00001  -0.00060   0.00076   0.00015  -3.13012
   D70        0.04100   0.00004  -0.00122   0.00077  -0.00044   0.04056
   D71       -2.23371  -0.00000   0.00756  -0.00149   0.00608  -2.22764
   D72        0.89419   0.00001  -0.00186  -0.00081  -0.00267   0.89151
   D73        0.95176  -0.00003   0.00669  -0.00153   0.00515   0.95691
   D74       -2.20353  -0.00003  -0.00274  -0.00086  -0.00360  -2.20712
   D75        0.00414   0.00001   0.00126  -0.00042   0.00084   0.00497
   D76       -3.07709  -0.00001   0.00178  -0.00125   0.00053  -3.07656
   D77        3.11587  -0.00002   0.00186  -0.00043   0.00143   3.11730
   D78        0.03465  -0.00004   0.00238  -0.00126   0.00112   0.03577
   D79       -0.03538   0.00001   0.00951  -0.00038   0.00914  -0.02624
   D80       -3.12535  -0.00005   0.01264  -0.00337   0.00928  -3.11607
   D81       -2.78975  -0.00043   0.00884   0.00293   0.01175  -2.77799
   D82        0.40347  -0.00049   0.01197  -0.00006   0.01190   0.41537
   D83        0.16066   0.00035  -0.00006   0.00101   0.00096   0.16162
   D84       -2.10403  -0.00071   0.00133   0.00067   0.00201  -2.10202
   D85        2.34203  -0.00015   0.00123   0.00116   0.00239   2.34442
   D86        2.92016   0.00062  -0.00024  -0.00162  -0.00186   2.91830
   D87        0.65547  -0.00043   0.00116  -0.00195  -0.00080   0.65467
   D88       -1.18165   0.00013   0.00106  -0.00147  -0.00043  -1.18208
   D89        0.01152  -0.00009  -0.00747   0.00074  -0.00673   0.00478
   D90       -3.10383  -0.00002  -0.00339  -0.00044  -0.00383  -3.10766
   D91        3.10414  -0.00003  -0.01048   0.00364  -0.00684   3.09731
   D92       -0.01121   0.00004  -0.00640   0.00246  -0.00393  -0.01514
   D93        3.12251   0.00003   0.00287   0.00055   0.00342   3.12592
   D94       -0.02401   0.00001  -0.00157   0.00242   0.00084  -0.02317
   D95        0.03198  -0.00003   0.00596  -0.00242   0.00353   0.03552
   D96       -3.11454  -0.00005   0.00151  -0.00055   0.00096  -3.11358
   D97       -0.01294   0.00005  -0.00159  -0.00005  -0.00163  -0.01458
   D98        3.10334  -0.00002  -0.00552   0.00110  -0.00441   3.09893
   D99       -0.01449  -0.00003   0.00322  -0.00120   0.00202  -0.01248
   D100       3.11698  -0.00003   0.00339  -0.00074   0.00265   3.11963
   D101      -3.13134   0.00004   0.00707  -0.00233   0.00475  -3.12659
   D102       0.00014   0.00004   0.00724  -0.00187   0.00538   0.00552
   D103      -0.02768   0.00001  -0.00229   0.00109  -0.00120  -0.02888
   D104       3.11188   0.00001  -0.00041   0.00097   0.00056   3.11244
   D105       3.11873   0.00003   0.00205  -0.00073   0.00131   3.12004
   D106      -0.02490   0.00003   0.00393  -0.00085   0.00307  -0.02183
   D107       0.00144  -0.00000  -0.00108   0.00024  -0.00085   0.00059
   D108      -3.13831  -0.00000  -0.00086  -0.00009  -0.00095  -3.13926
   D109      -3.13812  -0.00000  -0.00296   0.00036  -0.00261  -3.14072
   D110       0.00532  -0.00000  -0.00274   0.00003  -0.00271   0.00262
   D111       0.01941   0.00001   0.00060  -0.00018   0.00042   0.01983
   D112      -3.11169   0.00001   0.00039  -0.00065  -0.00025  -3.11195
   D113      -3.12404   0.00001   0.00037   0.00015   0.00052  -3.12352
   D114       0.02805   0.00001   0.00017  -0.00033  -0.00015   0.02789
   D115      -2.16917  -0.00003   0.00531  -0.00151   0.00380  -2.16537
   D116       0.95813  -0.00003   0.01698  -0.00257   0.01441   0.97254
   D117       0.97431  -0.00003   0.00554  -0.00184   0.00370   0.97801
   D118      -2.18157  -0.00003   0.01720  -0.00290   0.01431  -2.16727
   D119      -3.14038  -0.00001   0.00292  -0.00051   0.00241  -3.13797
   D120      -0.03966  -0.00001   0.00647  -0.00121   0.00525  -0.03441
   D121      -0.00253   0.00001   0.00033   0.00006   0.00039  -0.00215
   D122       3.09818   0.00001   0.00388  -0.00064   0.00323   3.10141
   D123       3.14148   0.00001  -0.00279   0.00052  -0.00227   3.13921
   D124      -0.03343  -0.00003   0.00019  -0.00083  -0.00064  -0.03407
   D125       0.00364  -0.00001  -0.00020  -0.00005  -0.00025   0.00339
   D126       3.11192  -0.00005   0.00279  -0.00140   0.00138   3.11330
   D127       3.12817  -0.00000  -0.00728   0.00090  -0.00638   3.12179
   D128       0.02266   0.00002  -0.00943   0.00151  -0.00791   0.01475
   D129      -0.00176  -0.00001   0.00075   0.00032   0.00107  -0.00068
   D130      -3.10727   0.00002  -0.00140   0.00094  -0.00046  -3.10773
   D131      -3.12950   0.00000   0.00711  -0.00079   0.00633  -3.12317
   D132       0.05593  -0.00000   0.00694  -0.00098   0.00597   0.06191
   D133       0.00035   0.00001  -0.00097  -0.00021  -0.00118  -0.00082
   D134      -3.09740   0.00000  -0.00114  -0.00040  -0.00153  -3.09893
   D135       3.12767   0.00000   0.00885  -0.00091   0.00795   3.13561
   D136       0.01344   0.00002   0.00830  -0.00060   0.00770   0.02114
   D137      -0.00170   0.00000  -0.00112  -0.00001  -0.00112  -0.00283
   D138      -3.11593   0.00001  -0.00167   0.00030  -0.00137  -3.11730
   D139      -3.12879  -0.00000  -0.00901   0.00097  -0.00804  -3.13683
   D140       0.04364  -0.00000  -0.01218   0.00140  -0.01078   0.03287
   D141       0.00059   0.00000   0.00096   0.00006   0.00102   0.00161
   D142      -3.11017   0.00000  -0.00221   0.00050  -0.00171  -3.11188
   D143       0.00243   0.00001  -0.00024  -0.00031  -0.00055   0.00188
   D144      -3.12952   0.00002  -0.00127   0.00027  -0.00100  -3.13053
   D145       3.11126  -0.00002   0.00170  -0.00086   0.00084   3.11210
   D146      -0.02069  -0.00000   0.00068  -0.00029   0.00039  -0.02030
   D147       3.12153  -0.00003   0.00177  -0.00042   0.00135   3.12288
   D148      -0.00913  -0.00002   0.00243  -0.00059   0.00184  -0.00729
   D149       0.02006   0.00000  -0.00062   0.00026  -0.00035   0.01970
   D150      -3.11061   0.00000   0.00005   0.00010   0.00014  -3.11047
   D151      -0.00218  -0.00000  -0.00034   0.00018  -0.00016  -0.00234
   D152       3.12350   0.00000  -0.00127   0.00052  -0.00076   3.12275
   D153       3.12784  -0.00001   0.00089  -0.00051   0.00037   3.12821
   D154      -0.02966  -0.00001  -0.00005  -0.00018  -0.00022  -0.02988
   D155       0.00610   0.00001  -0.00025   0.00016  -0.00009   0.00600
   D156      -3.14144   0.00000  -0.00024  -0.00005  -0.00029   3.14145
   D157      -3.12277   0.00002  -0.00160   0.00092  -0.00068  -3.12346
   D158       0.01287   0.00002  -0.00159   0.00071  -0.00088   0.01199
   D159       0.00114  -0.00001   0.00081   0.00002   0.00082   0.00196
   D160       3.10309   0.00000   0.00096   0.00018   0.00114   3.10423
   D161      -3.12719  -0.00001   0.00158  -0.00027   0.00131  -3.12588
   D162      -0.02524   0.00000   0.00173  -0.00010   0.00163  -0.02361
   D163      -3.11621   0.00000   0.00003  -0.00039  -0.00037  -3.11658
   D164       0.01967  -0.00001   0.00121  -0.00058   0.00063   0.02030
   D165       0.00788   0.00001  -0.00100  -0.00002  -0.00102   0.00687
   D166      -3.13942  -0.00001   0.00019  -0.00021  -0.00002  -3.13944
   D167       3.11720  -0.00001  -0.00075   0.00024  -0.00050   3.11669
   D168      -0.01287   0.00005  -0.00375   0.00135  -0.00240  -0.01528
   D169       0.02428  -0.00002  -0.00093   0.00004  -0.00090   0.02338
   D170      -3.10579   0.00004  -0.00393   0.00114  -0.00280  -3.10859
   D171       0.00048  -0.00000  -0.00032  -0.00005  -0.00037   0.00011
   D172       3.12737   0.00001   0.00202  -0.00033   0.00169   3.12906
   D173      -3.10411  -0.00001  -0.00348   0.00057  -0.00291  -3.10703
   D174       0.02278   0.00000  -0.00114   0.00028  -0.00086   0.02192
   D175      -3.11832  -0.00001  -0.00263   0.00047  -0.00215  -3.12048
   D176       0.01165   0.00000  -0.00196   0.00051  -0.00145   0.01020
   D177      -0.02212  -0.00000   0.00128  -0.00029   0.00099  -0.02113
   D178       3.10785   0.00001   0.00195  -0.00026   0.00169   3.10954
   D179       0.00172  -0.00000   0.00020   0.00002   0.00021   0.00194
   D180      -3.13033   0.00000  -0.00115   0.00033  -0.00082  -3.13115
   D181      -3.12225  -0.00002  -0.00259   0.00035  -0.00224  -3.12449
   D182       0.02888  -0.00001  -0.00393   0.00066  -0.00327   0.02560
   D183      -0.00674  -0.00000   0.00007  -0.00005   0.00002  -0.00671
   D184       3.14129  -0.00000   0.00012  -0.00014  -0.00001   3.14127
   D185       3.11548   0.00001   0.00314  -0.00042   0.00272   3.11821
   D186      -0.01968   0.00001   0.00319  -0.00050   0.00269  -0.01699
   D187      -0.00330   0.00001   0.00000   0.00002   0.00002  -0.00328
   D188      -3.11482   0.00004  -0.00266   0.00123  -0.00143  -3.11625
   D189       3.13033   0.00000   0.00114  -0.00024   0.00089   3.13122
   D190       0.01882   0.00003  -0.00153   0.00097  -0.00056   0.01825
   D191       3.12783  -0.00003   0.00178  -0.00094   0.00084   3.12866
   D192      -0.01086  -0.00002   0.00149  -0.00058   0.00090  -0.00996
   D193      -0.00327  -0.00002   0.00030  -0.00060  -0.00030  -0.00358
   D194       3.14122  -0.00002   0.00000  -0.00024  -0.00024   3.14098
   D195      -3.12550   0.00001  -0.00153   0.00079  -0.00074  -3.12624
   D196       0.00895   0.00002  -0.00138   0.00059  -0.00079   0.00816
   D197      -0.02086  -0.00003   0.00177  -0.00070   0.00107  -0.01979
   D198       3.11359  -0.00002   0.00192  -0.00090   0.00101   3.11460
   D199       0.00212  -0.00000   0.00083  -0.00005   0.00078   0.00290
   D200      -3.13088  -0.00000  -0.00014   0.00014   0.00000  -3.13088
   D201       3.11890  -0.00001   0.00133  -0.00033   0.00100   3.11990
   D202      -0.01410  -0.00001   0.00035  -0.00014   0.00021  -0.01389
   D203       3.12472  -0.00001  -0.00000  -0.00028  -0.00028   3.12444
   D204      -0.01357  -0.00001  -0.00037  -0.00010  -0.00047  -0.01404
   D205       0.01353   0.00000  -0.00062   0.00007  -0.00055   0.01298
   D206      -3.12476   0.00001  -0.00099   0.00024  -0.00075  -3.12551
   D207      -0.00173   0.00000  -0.00024   0.00009  -0.00016  -0.00189
   D208       3.12736   0.00001   0.00234  -0.00039   0.00196   3.12931
   D209       3.12953   0.00000   0.00093  -0.00014   0.00078   3.13032
   D210      -0.02456   0.00001   0.00351  -0.00062   0.00289  -0.02167
   D211       0.00424   0.00002   0.00034   0.00012   0.00046   0.00470
   D212      -3.14085   0.00001   0.00027  -0.00004   0.00023  -3.14062
   D213      -3.12599   0.00002  -0.00094   0.00037  -0.00057  -3.12657
   D214       0.01210   0.00000  -0.00101   0.00022  -0.00080   0.01130
   D215       0.00072  -0.00000  -0.00043  -0.00009  -0.00053   0.00019
   D216       3.11436  -0.00000   0.00242  -0.00049   0.00194   3.11629
   D217      -3.13047  -0.00001  -0.00259   0.00030  -0.00229  -3.13276
   D218      -0.01684  -0.00001   0.00027  -0.00009   0.00018  -0.01666
   D219      -3.12272  -0.00001  -0.00225   0.00041  -0.00185  -3.12456
   D220       0.01389  -0.00001  -0.00275   0.00057  -0.00218   0.01171
   D221       0.00513  -0.00000   0.00059  -0.00011   0.00048   0.00560
   D222      -3.14145  -0.00000   0.00010   0.00005   0.00014  -3.14130
   D223       3.12365   0.00001   0.00263  -0.00028   0.00235   3.12600
   D224      -0.00977   0.00001   0.00251  -0.00023   0.00228  -0.00748
   D225       0.01631   0.00001  -0.00088   0.00020  -0.00068   0.01564
   D226      -3.11710   0.00001  -0.00099   0.00025  -0.00074  -3.11785
   D227       0.00929   0.00000  -0.00046   0.00020  -0.00026   0.00903
   D228      -3.13989  -0.00002   0.00034  -0.00012   0.00023  -3.13967
   D229      -3.12658   0.00002  -0.00165   0.00039  -0.00127  -3.12785
   D230       0.00742  -0.00001  -0.00085   0.00007  -0.00077   0.00665
   D231      -0.01006  -0.00002   0.00128  -0.00027   0.00101  -0.00905
   D232       3.12305  -0.00002   0.00245  -0.00040   0.00206   3.12511
   D233       3.13911   0.00001   0.00047   0.00005   0.00052   3.13962
   D234      -0.01097   0.00001   0.00165  -0.00008   0.00157  -0.00941
   D235      -0.00671   0.00002  -0.00056   0.00015  -0.00042  -0.00712
   D236       3.12343  -0.00003   0.00242  -0.00095   0.00147   3.12490
   D237      -3.13985   0.00002  -0.00173   0.00027  -0.00146  -3.14131
   D238      -0.00972  -0.00003   0.00125  -0.00082   0.00043  -0.00929
   D239      -0.00547  -0.00000   0.00015  -0.00012   0.00003  -0.00544
   D240      -3.14155  -0.00000   0.00027  -0.00011   0.00016  -3.14138
   D241       3.12524  -0.00001  -0.00051   0.00004  -0.00047   3.12478
   D242      -0.01083  -0.00001  -0.00039   0.00006  -0.00033  -0.01116
   D243      -0.00859   0.00001   0.00026   0.00000   0.00027  -0.00833
   D244       3.14087  -0.00001   0.00016  -0.00012   0.00003   3.14090
   D245       3.12746   0.00001   0.00014  -0.00001   0.00013   3.12758
   D246      -0.00627  -0.00001   0.00004  -0.00014  -0.00010  -0.00637
   D247       0.00813  -0.00001  -0.00021  -0.00002  -0.00023   0.00790
   D248      -3.12751  -0.00000  -0.00022   0.00019  -0.00003  -3.12754
   D249      -3.14135   0.00001  -0.00010   0.00011   0.00000  -3.14135
   D250       0.00620   0.00001  -0.00012   0.00031   0.00020   0.00639
   D251      -0.00936   0.00000   0.00063   0.00001   0.00064  -0.00871
   D252       3.13686  -0.00001   0.00025   0.00000   0.00025   3.13711
   D253       3.12933  -0.00000   0.00093  -0.00035   0.00058   3.12990
   D254      -0.00764  -0.00002   0.00055  -0.00036   0.00019  -0.00745
   D255       0.00709   0.00000  -0.00037   0.00025  -0.00012   0.00697
   D256      -3.13732   0.00001   0.00032   0.00037   0.00070  -3.13663
   D257      -3.13911   0.00002   0.00001   0.00026   0.00027  -3.13884
   D258      -0.00034   0.00002   0.00070   0.00038   0.00109   0.00074
   D259       0.00798   0.00001  -0.00083   0.00010  -0.00073   0.00725
   D260      -3.12653   0.00001  -0.00097   0.00030  -0.00067  -3.12720
   D261      -3.13081   0.00001  -0.00152  -0.00003  -0.00154  -3.13235
   D262       0.01787   0.00001  -0.00166   0.00017  -0.00148   0.01638
   D263       0.00613   0.00000  -0.00040   0.00008  -0.00032   0.00581
   D264      -3.14053   0.00000  -0.00027   0.00012  -0.00015  -3.14069
   D265      -3.12391  -0.00001  -0.00106   0.00004  -0.00101  -3.12492
   D266       0.01261  -0.00001  -0.00092   0.00008  -0.00085   0.01176
   D267       0.00936   0.00000  -0.00065   0.00015  -0.00050   0.00886
   D268      -3.13964  -0.00000   0.00063  -0.00021   0.00042  -3.13921
   D269      -3.12713  -0.00000  -0.00079   0.00011  -0.00067  -3.12780
   D270       0.00705  -0.00001   0.00050  -0.00025   0.00025   0.00731
   D271      -0.00889   0.00000   0.00081  -0.00016   0.00065  -0.00825
   D272       3.12625   0.00000   0.00076  -0.00008   0.00068   3.12694
   D273       3.14012   0.00000  -0.00048   0.00020  -0.00028   3.13984
   D274      -0.00791   0.00000  -0.00053   0.00028  -0.00025  -0.00816
   D275       0.00632   0.00001  -0.00083   0.00021  -0.00062   0.00570
   D276      -3.14071  -0.00000  -0.00006   0.00001  -0.00006  -3.14077
   D277      -3.13029   0.00001  -0.00033   0.00005  -0.00029  -3.13057
   D278       0.00587  -0.00000   0.00043  -0.00016   0.00027   0.00615
   D279      -0.00671  -0.00000   0.00020  -0.00010   0.00010  -0.00661
   D280       3.13119  -0.00002   0.00054  -0.00029   0.00025   3.13145
   D281       3.14031   0.00000  -0.00056   0.00011  -0.00046   3.13985
   D282      -0.00498  -0.00001  -0.00022  -0.00008  -0.00031  -0.00529
   D283      -0.00459  -0.00000   0.00065  -0.00011   0.00055  -0.00405
   D284       3.12886  -0.00000   0.00077  -0.00016   0.00061   3.12946
   D285       3.14068   0.00001   0.00031   0.00008   0.00039   3.14108
   D286      -0.00905   0.00001   0.00042   0.00003   0.00045  -0.00860
   D287      -0.00352   0.00000   0.00021   0.00002   0.00023  -0.00329
   D288       3.13944   0.00000   0.00009   0.00011   0.00020   3.13964
   D289       3.13478  -0.00000   0.00058  -0.00016   0.00043   3.13520
   D290      -0.00544  -0.00000   0.00046  -0.00007   0.00039  -0.00505
   D291      -0.00600   0.00000   0.00047  -0.00003   0.00044  -0.00557
   D292       3.13937  -0.00001  -0.00010  -0.00015  -0.00025   3.13912
   D293       3.13421   0.00000   0.00060  -0.00012   0.00047   3.13469
   D294      -0.00360  -0.00001   0.00003  -0.00024  -0.00022  -0.00381
   D295       0.00553  -0.00001  -0.00074  -0.00004  -0.00078   0.00475
   D296      -3.13256   0.00000  -0.00067   0.00012  -0.00056  -3.13311
   D297      -3.13986   0.00000  -0.00017   0.00008  -0.00009  -3.13995
   D298       0.00524   0.00001  -0.00010   0.00023   0.00013   0.00538
   D299       1.78034   0.00212   0.03760  -0.00510   0.03251   1.81285
   D300      -0.47883   0.00065   0.03872  -0.00613   0.03260  -0.44623
   D301      -2.71217   0.00104   0.03536  -0.00488   0.03047  -2.68170
   D302      -3.09573  -0.00004  -0.01463  -0.00425  -0.01888  -3.11461
   D303      -0.92438  -0.00017  -0.01170  -0.00387  -0.01557  -0.93995
   D304       1.30591  -0.00065  -0.00716  -0.00565  -0.01281   1.29310
   D305      -2.34951   0.00013  -0.01674   0.00400  -0.01274  -2.36225
   D306      -0.21852   0.00026  -0.01812   0.00498  -0.01314  -0.23166
   D307       1.83109   0.00033  -0.01802   0.00534  -0.01267   1.81841
   D308       1.80102  -0.00030  -0.08983  -0.00732  -0.09715   1.70388
   D309      -2.37345  -0.00023  -0.09070  -0.00667  -0.09739  -2.47084
   D310      -0.34179  -0.00059  -0.09382  -0.00898  -0.10279  -0.44458
   D311      -3.06860   0.00102  -0.00067   0.00142   0.00075  -3.06785
   D312      -0.98060   0.00103  -0.00038   0.00141   0.00103  -0.97957
   D313       1.13441   0.00099  -0.00129   0.00126  -0.00003   1.13438
   D314       1.10939  -0.00094   0.00062  -0.00176  -0.00114   1.10825
   D315      -3.08580  -0.00094   0.00091  -0.00177  -0.00086  -3.08665
   D316      -0.97079  -0.00097   0.00000  -0.00192  -0.00191  -0.97270
   D317      -1.02933  -0.00009   0.00284  -0.00112   0.00172  -1.02761
   D318       1.05866  -0.00009   0.00314  -0.00113   0.00201   1.06067
   D319      -3.10951  -0.00012   0.00223  -0.00128   0.00095  -3.10856
   D320      -0.85641  -0.00102   0.00734  -0.00040   0.00694  -0.84947
   D321       1.24308  -0.00072   0.00627   0.00038   0.00664   1.24972
   D322      -2.87345  -0.00096   0.00455  -0.00003   0.00452  -2.86893
   D323       3.08288  -0.00006  -0.00134   0.00124  -0.00012   3.08277
   D324      -1.11540   0.00004  -0.00135   0.00232   0.00097  -1.11443
   D325       0.99526   0.00000  -0.00014   0.00152   0.00138   0.99663
   D326       1.04638  -0.00011   0.00132   0.00095   0.00228   1.04865
   D327       3.13128  -0.00001   0.00132   0.00204   0.00336   3.13464
   D328      -1.04125  -0.00005   0.00253   0.00124   0.00377  -1.03748
   D329      -1.07113   0.00000   0.00053   0.00234   0.00288  -1.06824
   D330       1.01378   0.00010   0.00053   0.00343   0.00397   1.01775
   D331       3.12443   0.00006   0.00174   0.00263   0.00437   3.12881
         Item               Value     Threshold  Converged?
 Maximum Force            0.003637     0.000450     NO 
 RMS     Force            0.000297     0.000300     YES
 Maximum Displacement     0.432947     0.001800     NO 
 RMS     Displacement     0.037302     0.001200     NO 
 Predicted change in Energy=-6.558741D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.590116    3.251354    0.111112
      2          6           0       -2.752727    1.871630    0.251126
      3          6           0       -1.649690    1.009464    0.202413
      4          6           0       -0.357952    1.561654    0.077640
      5          6           0       -0.202848    2.945617   -0.079880
      6          6           0       -1.305671    3.786926   -0.077845
      7          6           0       -1.786196   -0.457893    0.166529
      8          6           0       -0.658701   -1.283417    0.402909
      9          6           0        0.626352   -0.643115    0.822557
     10          6           0        0.825989    0.690380    0.157928
     11          6           0       -2.992349   -1.047830   -0.231159
     12          6           0       -3.093329   -2.422982   -0.446060
     13          6           0       -1.953028   -3.221871   -0.301122
     14          6           0       -0.758136   -2.651394    0.114582
     15          7           0        1.781390   -1.466118    0.909433
     16          6           0        3.032554   -0.964548    0.434991
     17          6           0        3.081191    0.326485   -0.138116
     18          7           0        1.962480    1.134347   -0.255740
     19          6           0        4.216707   -1.718554    0.454356
     20          6           0        5.406959   -1.193948   -0.035503
     21          6           0        5.455063    0.090891   -0.595345
     22          6           0        4.283613    0.835462   -0.651297
     23          7           0       -3.720057    4.104913    0.150674
     24          7           0       -4.321903   -2.994528   -0.855972
     25          7           0        6.675183    0.615730   -1.095138
     26          6           0       -4.967092   -4.072619   -0.232982
     27          6           0       -6.180660   -4.337534   -0.915878
     28          6           0       -6.272584   -3.380649   -1.999726
     29          6           0       -5.112579   -2.568044   -1.932680
     30          6           0       -3.863246    5.239178    0.963303
     31          6           0       -5.132253    5.821685    0.718472
     32          6           0       -5.784896    5.005564   -0.284581
     33          6           0       -4.888761    3.956051   -0.609755
     34          6           0        7.272724    1.818330   -0.699326
     35          6           0        8.482405    1.989912   -1.419911
     36          6           0        8.618460    0.841453   -2.291872
     37          6           0        7.487505    0.016022   -2.065032
     38          6           0       -7.212975   -3.158475   -3.012181
     39          6           0       -6.984932   -2.146405   -3.940079
     40          6           0       -5.820900   -1.362746   -3.870779
     41          6           0       -4.868625   -1.563152   -2.873161
     42          6           0       -4.586485   -4.801295    0.896887
     43          6           0       -5.433434   -5.822671    1.322272
     44          6           0       -6.632013   -6.110407    0.647772
     45          6           0       -7.012810   -5.369567   -0.467194
     46          6           0       -7.025200    5.078662   -0.928698
     47          6           0       -7.352888    4.118723   -1.881661
     48          6           0       -6.447593    3.093698   -2.203008
     49          6           0       -5.205780    2.999573   -1.578239
     50          6           0       -2.988343    5.764613    1.917985
     51          6           0       -3.393821    6.903687    2.610209
     52          6           0       -4.640562    7.504518    2.367298
     53          6           0       -5.514617    6.966040    1.427735
     54          6           0        9.576578    0.452644   -3.235293
     55          6           0        9.394729   -0.735429   -3.937027
     56          6           0        8.261105   -1.534068   -3.709046
     57          6           0        7.292615   -1.171458   -2.775447
     58          6           0        6.851191    2.746292    0.256700
     59          6           0        7.654496    3.864041    0.471960
     60          6           0        8.850279    4.055963   -0.240963
     61          6           0        9.270052    3.122804   -1.184226
     62          8           0        0.483996   -3.044359    2.751108
     63         15           0        1.775964   -2.778167    2.092499
     64          8           0        3.013889   -2.468150    3.059127
     65          8           0        2.358842   -3.949111    1.154999
     66          6           0        2.832521   -1.914057    4.401104
     67          6           0        3.845069   -0.805679    4.608465
     68          6           0        2.508953   -5.291258    1.711524
     69          6           0        1.322623   -6.158247    1.332879
     70          1           0       -3.748706    1.480572    0.418362
     71          1           0        0.798244    3.343084   -0.199940
     72          1           0       -1.185782    4.855727   -0.215031
     73          1           0       -3.863328   -0.430773   -0.412303
     74          1           0       -2.001967   -4.278073   -0.540460
     75          1           0        0.117524   -3.281954    0.157659
     76          1           0        4.226427   -2.718492    0.856826
     77          1           0        6.313058   -1.787710    0.016313
     78          1           0        4.264363    1.822169   -1.099129
     79          1           0       -8.107106   -3.772005   -3.074397
     80          1           0       -7.708107   -1.963560   -4.728793
     81          1           0       -5.652870   -0.587856   -4.612718
     82          1           0       -3.966145   -0.963118   -2.837508
     83          1           0       -3.671095   -4.576054    1.432595
     84          1           0       -5.160096   -6.403558    2.198088
     85          1           0       -7.268684   -6.913636    1.005505
     86          1           0       -7.945988   -5.584689   -0.979785
     87          1           0       -7.721272    5.877076   -0.688644
     88          1           0       -8.313720    4.162736   -2.384820
     89          1           0       -6.717025    2.355317   -2.952215
     90          1           0       -4.510120    2.211849   -1.844082
     91          1           0       -2.030884    5.299535    2.123550
     92          1           0       -2.730814    7.331189    3.356512
     93          1           0       -4.924706    8.392843    2.922831
     94          1           0       -6.483848    7.423134    1.250171
     95          1           0       10.448266    1.073923   -3.420057
     96          1           0       10.131335   -1.047864   -4.670680
     97          1           0        8.132482   -2.452888   -4.273500
     98          1           0        6.415021   -1.787667   -2.613404
     99          1           0        5.932847    2.602752    0.815308
    100          1           0        7.347463    4.600636    1.208519
    101          1           0        9.451752    4.939435   -0.050395
    102          1           0       10.198519    3.268796   -1.728704
    103          1           0        1.809606   -1.549075    4.507639
    104          1           0        2.988354   -2.743379    5.097201
    105          1           0        3.770074   -0.433429    5.635520
    106          1           0        4.864393   -1.166334    4.445690
    107          1           0        3.650873    0.025776    3.926530
    108          1           0        3.442514   -5.669315    1.287610
    109          1           0        2.626113   -5.229728    2.797193
    110          1           0        1.474768   -7.177038    1.704259
    111          1           0        0.405737   -5.761064    1.775551
    112          1           0        1.206570   -6.202693    0.246485
    113         17           0        0.318083    0.123554    2.766157
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351354           0.0181308           0.0142957
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10691.8024084310 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999998   -0.001584   -0.000208    0.000717 Ang=  -0.20 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48616870     A.U. after   11 cycles
            NFock= 11  Conv=0.45D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000560271    0.000388766   -0.000019312
      2        6           0.000410493   -0.000290631   -0.000475249
      3        6          -0.000059592    0.000902820   -0.000030906
      4        6           0.000373711   -0.000471897    0.000595495
      5        6          -0.000300265   -0.000026990   -0.000056777
      6        6           0.000203007   -0.000173261    0.000113604
      7        6          -0.000094324   -0.000643787    0.000117032
      8        6          -0.001196588   -0.001216779   -0.001129718
      9        6           0.000443157    0.001357063    0.001413842
     10        6          -0.000318326    0.000884185   -0.000939483
     11        6           0.000167511    0.000202826    0.000074983
     12        6           0.000176021   -0.000271551   -0.000221732
     13        6          -0.000478421   -0.000083456    0.000207613
     14        6           0.000083397    0.000494250    0.000082652
     15        7           0.001838544   -0.000762821   -0.000727657
     16        6          -0.000447425   -0.000979649   -0.000318113
     17        6          -0.001412100    0.000857495    0.000065264
     18        7           0.000727980   -0.000904851   -0.000007627
     19        6           0.000641649    0.000559400    0.000188089
     20        6          -0.000468386   -0.000235711   -0.000045888
     21        6           0.000513668    0.000611816   -0.000220485
     22        6           0.000745594   -0.000100635   -0.000043085
     23        7           0.000668173   -0.000319726    0.000132385
     24        7           0.000000489    0.000468716    0.000087415
     25        7          -0.000526178   -0.000563775   -0.000074436
     26        6           0.000004692   -0.000153581   -0.000238978
     27        6           0.000079953   -0.000015390   -0.000049453
     28        6           0.000062661   -0.000072694    0.000010322
     29        6           0.000056035   -0.000087688    0.000042364
     30        6          -0.000068505    0.000124373   -0.000234033
     31        6           0.000095131    0.000058323   -0.000052501
     32        6           0.000111784   -0.000093052    0.000028909
     33        6          -0.000386037   -0.000174679    0.000202535
     34        6           0.000191081    0.000448880   -0.000039992
     35        6          -0.000204783   -0.000119509    0.000030593
     36        6           0.000048517   -0.000084886    0.000044869
     37        6           0.000150425    0.000118546    0.000239226
     38        6           0.000058297    0.000142376    0.000041610
     39        6          -0.000014937   -0.000021679    0.000081596
     40        6          -0.000007983   -0.000216984    0.000129497
     41        6          -0.000130238    0.000156660    0.000155133
     42        6          -0.000139262   -0.000015897    0.000043210
     43        6          -0.000022534    0.000121133   -0.000071082
     44        6          -0.000045646    0.000081826   -0.000032985
     45        6           0.000066923   -0.000021628    0.000107946
     46        6           0.000059140   -0.000055958   -0.000052877
     47        6           0.000124363    0.000057831    0.000015681
     48        6           0.000040025    0.000092169    0.000062776
     49        6          -0.000125601    0.000138667   -0.000096328
     50        6          -0.000127811    0.000000173    0.000028969
     51        6          -0.000162359    0.000039015   -0.000002880
     52        6           0.000080351   -0.000040587   -0.000064108
     53        6           0.000078035   -0.000052148    0.000018260
     54        6          -0.000075759    0.000004472   -0.000021131
     55        6          -0.000092686   -0.000062056    0.000080612
     56        6           0.000067411    0.000084900    0.000038749
     57        6          -0.000010604   -0.000004162   -0.000070225
     58        6           0.000055986    0.000034727    0.000000598
     59        6           0.000035389   -0.000071383   -0.000084041
     60        6           0.000008707   -0.000021090    0.000000027
     61        6          -0.000115637   -0.000039453    0.000098203
     62        8           0.000127439    0.000085995   -0.000327912
     63       15          -0.000063053    0.000382892   -0.000096415
     64        8           0.000334562   -0.001059610   -0.000835453
     65        8           0.000258256    0.000380899   -0.000300656
     66        6          -0.000474730    0.001158603    0.001324693
     67        6          -0.000141548   -0.000115447    0.000044837
     68        6          -0.000755191   -0.000015202   -0.000284800
     69        6          -0.000115593   -0.000089597    0.000583027
     70        1          -0.000075566    0.000065812    0.000092681
     71        1          -0.000007216   -0.000063647    0.000014284
     72        1           0.000081107    0.000013617   -0.000042631
     73        1          -0.000090338   -0.000115630    0.000172690
     74        1           0.000101402    0.000027726   -0.000068289
     75        1           0.000079883   -0.000028941   -0.000006280
     76        1          -0.000192834   -0.000337130    0.000168487
     77        1          -0.000051810   -0.000075376    0.000079600
     78        1          -0.000296291   -0.000095325    0.000026197
     79        1           0.000022270   -0.000030223   -0.000025909
     80        1           0.000018061   -0.000013920    0.000011611
     81        1           0.000029971    0.000069616   -0.000104418
     82        1           0.000018702   -0.000117818   -0.000103508
     83        1           0.000025612   -0.000024901    0.000002097
     84        1          -0.000005045   -0.000027229    0.000006391
     85        1           0.000010569   -0.000002181   -0.000014642
     86        1           0.000012717    0.000006476   -0.000018503
     87        1          -0.000062066    0.000049185    0.000038107
     88        1          -0.000035006   -0.000023618    0.000004197
     89        1          -0.000006639   -0.000047425    0.000009546
     90        1          -0.000040794    0.000013643   -0.000021267
     91        1          -0.000020906    0.000037621    0.000032585
     92        1          -0.000000631   -0.000005800   -0.000015722
     93        1          -0.000011486   -0.000018172    0.000017834
     94        1           0.000009648    0.000018327    0.000007023
     95        1           0.000004584   -0.000004757    0.000005563
     96        1           0.000013935    0.000019893   -0.000012274
     97        1           0.000004940   -0.000011075   -0.000040263
     98        1           0.000026283    0.000029514   -0.000012336
     99        1           0.000060168    0.000019370   -0.000033247
    100        1           0.000001077    0.000006407    0.000005930
    101        1          -0.000022400   -0.000020314   -0.000011020
    102        1           0.000035249    0.000000189   -0.000027815
    103        1          -0.000060701   -0.000586394   -0.000158848
    104        1           0.000092089   -0.000014350   -0.000128279
    105        1          -0.000005663    0.000011172   -0.000094428
    106        1           0.000111368   -0.000046268    0.000000125
    107        1           0.000001874    0.000012462   -0.000017731
    108        1          -0.000078342   -0.000017218    0.000045219
    109        1           0.000536354    0.000223379    0.000253693
    110        1           0.000144268   -0.000044780   -0.000059737
    111        1          -0.000012447    0.000044577   -0.000263374
    112        1          -0.000017993    0.000015999   -0.000097382
    113       17          -0.000394141    0.000397594    0.001117745
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001838544 RMS     0.000337290

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005066781 RMS     0.000401721
 Search for a local minimum.
 Step number  30 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   24   26   27   28   29
                                                     30
 DE= -7.87D-05 DEPred=-6.56D-05 R= 1.20D+00
 TightC=F SS=  1.41D+00  RLast= 2.04D-01 DXNew= 2.1488D+00 6.1305D-01
 Trust test= 1.20D+00 RLast= 2.04D-01 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1
 ITU= -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00155   0.00409   0.00541   0.00812   0.00968
     Eigenvalues ---    0.01295   0.01503   0.01841   0.02303   0.02453
     Eigenvalues ---    0.02486   0.02540   0.02554   0.02585   0.02602
     Eigenvalues ---    0.02636   0.02638   0.02671   0.02685   0.02695
     Eigenvalues ---    0.02698   0.02706   0.02714   0.02720   0.02748
     Eigenvalues ---    0.02761   0.02774   0.02778   0.02795   0.02802
     Eigenvalues ---    0.02807   0.02811   0.02813   0.02818   0.02826
     Eigenvalues ---    0.02832   0.02850   0.02862   0.02872   0.02875
     Eigenvalues ---    0.02877   0.02887   0.02892   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02909   0.02916   0.02917   0.02919
     Eigenvalues ---    0.02928   0.02934   0.02941   0.02945   0.02948
     Eigenvalues ---    0.02951   0.02952   0.02954   0.02957   0.02962
     Eigenvalues ---    0.02963   0.02965   0.02971   0.02976   0.02980
     Eigenvalues ---    0.02990   0.02992   0.02997   0.02999   0.03004
     Eigenvalues ---    0.03020   0.03028   0.03040   0.03046   0.03058
     Eigenvalues ---    0.03060   0.03065   0.03079   0.03091   0.03096
     Eigenvalues ---    0.03103   0.03120   0.03130   0.03137   0.03142
     Eigenvalues ---    0.03166   0.03175   0.03176   0.03198   0.03226
     Eigenvalues ---    0.03240   0.03250   0.03275   0.03307   0.03402
     Eigenvalues ---    0.03441   0.03589   0.03918   0.05165   0.05351
     Eigenvalues ---    0.05619   0.05768   0.05790   0.05915   0.05937
     Eigenvalues ---    0.06147   0.06334   0.07127   0.08324   0.11576
     Eigenvalues ---    0.11824   0.12131   0.13461   0.13748   0.14126
     Eigenvalues ---    0.15233   0.15905   0.15950   0.15981   0.15991
     Eigenvalues ---    0.15994   0.15995   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16004   0.16007   0.16012   0.16014   0.16038
     Eigenvalues ---    0.16049   0.16089   0.16145   0.16368   0.18255
     Eigenvalues ---    0.19753   0.21047   0.21167   0.21724   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22006   0.22240
     Eigenvalues ---    0.22411   0.22468   0.22507   0.22584   0.22600
     Eigenvalues ---    0.22605   0.22615   0.22657   0.22694   0.22959
     Eigenvalues ---    0.23308   0.23470   0.23570   0.23749   0.24146
     Eigenvalues ---    0.24356   0.24474   0.24489   0.24522   0.24530
     Eigenvalues ---    0.24550   0.24633   0.24728   0.24776   0.24888
     Eigenvalues ---    0.24916   0.24975   0.24978   0.24983   0.24988
     Eigenvalues ---    0.24991   0.24994   0.25015   0.25047   0.25184
     Eigenvalues ---    0.25311   0.25887   0.26288   0.26577   0.27168
     Eigenvalues ---    0.27522   0.28078   0.28741   0.28839   0.29076
     Eigenvalues ---    0.29326   0.29389   0.29649   0.29841   0.30227
     Eigenvalues ---    0.30493   0.30655   0.30721   0.30849   0.30949
     Eigenvalues ---    0.31136   0.31180   0.31273   0.31384   0.31481
     Eigenvalues ---    0.31562   0.31701   0.32136   0.32233   0.32562
     Eigenvalues ---    0.33139   0.33325   0.33577   0.33965   0.34047
     Eigenvalues ---    0.34221   0.34497   0.34669   0.34937   0.35121
     Eigenvalues ---    0.35155   0.35482   0.35562   0.36033   0.36393
     Eigenvalues ---    0.36777   0.36808   0.37171   0.37310   0.39042
     Eigenvalues ---    0.39961   0.41530   0.41710   0.42057   0.42751
     Eigenvalues ---    0.43303   0.43470   0.43694   0.45286   0.45865
     Eigenvalues ---    0.47090   0.47114   0.47159   0.47252   0.47689
     Eigenvalues ---    0.47822   0.49645   0.50097   0.50183   0.50474
     Eigenvalues ---    0.50611   0.51107   0.51674   0.52052   0.52087
     Eigenvalues ---    0.52263   0.52655   0.53085   0.53172   0.53371
     Eigenvalues ---    0.53760   0.54262   0.54345   0.54616   0.55028
     Eigenvalues ---    0.55340   0.55616   0.55682   0.55776   0.56090
     Eigenvalues ---    0.56186   0.56250   0.56464   0.56625   0.56744
     Eigenvalues ---    0.56928   0.57177   0.57586   0.57915   0.58232
     Eigenvalues ---    0.58285   0.58308   0.58366   0.58521   0.58670
     Eigenvalues ---    0.58922   0.59009   0.59422   0.59712   0.59811
     Eigenvalues ---    0.60080   0.60620   0.60886   0.61459   0.62024
     Eigenvalues ---    0.63260   0.63580   0.64306   0.65191   0.65919
     Eigenvalues ---    0.66756   0.67551   0.68026   0.68960   0.72103
     Eigenvalues ---    0.73213   0.74592   0.79885   0.80713   0.83048
     Eigenvalues ---    0.85642   1.03904   6.19331
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    30   29   28   27   26   25   24
 RFO step:  Lambda=-9.65189316D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.46826    0.14090   -0.74767   -0.23007    0.33059
                  RFO-DIIS coefs:   -0.10297    0.14096
 Iteration  1 RMS(Cart)=  0.02556495 RMS(Int)=  0.00070255
 Iteration  2 RMS(Cart)=  0.00118420 RMS(Int)=  0.00000578
 Iteration  3 RMS(Cart)=  0.00000182 RMS(Int)=  0.00000572
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000572
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63864   0.00009  -0.00021   0.00018  -0.00003   2.63862
    R2        2.65393   0.00005  -0.00040   0.00017  -0.00023   2.65370
    R3        2.67708  -0.00028   0.00047  -0.00030   0.00017   2.67725
    R4        2.64723  -0.00020   0.00022  -0.00022  -0.00001   2.64722
    R5        2.04656   0.00005  -0.00006   0.00004  -0.00002   2.04654
    R6        2.66516  -0.00005   0.00043  -0.00020   0.00024   2.66540
    R7        2.78570   0.00057  -0.00015   0.00030   0.00016   2.78586
    R8        2.64847  -0.00015  -0.00018   0.00005  -0.00012   2.64834
    R9        2.78200  -0.00032   0.00073  -0.00043   0.00030   2.78229
   R10        2.62122  -0.00017   0.00023  -0.00013   0.00009   2.62132
   R11        2.04805  -0.00004  -0.00015   0.00009  -0.00006   2.04799
   R12        2.04888   0.00001  -0.00005   0.00005  -0.00000   2.04887
   R13        2.67822  -0.00017   0.00014  -0.00005   0.00008   2.67831
   R14        2.64628  -0.00017   0.00029  -0.00021   0.00008   2.64636
   R15        2.82667   0.00144  -0.00190   0.00133  -0.00057   2.82610
   R16        2.64857  -0.00041   0.00036  -0.00026   0.00010   2.64867
   R17        2.84075   0.00023   0.00035  -0.00009   0.00026   2.84102
   R18        2.68514   0.00084  -0.00187   0.00094  -0.00094   2.68419
   R19        2.43462  -0.00018   0.00007  -0.00006   0.00002   2.43465
   R20        2.63711   0.00005  -0.00006   0.00003  -0.00004   2.63708
   R21        2.04595   0.00001  -0.00007   0.00005  -0.00002   2.04593
   R22        2.64529  -0.00022  -0.00008  -0.00007  -0.00014   2.64515
   R23        2.67520  -0.00021   0.00014  -0.00011   0.00002   2.67523
   R24        2.62258   0.00013  -0.00015   0.00017   0.00001   2.62260
   R25        2.04862   0.00000  -0.00001  -0.00002  -0.00003   2.04859
   R26        2.04077   0.00008  -0.00004   0.00000  -0.00003   2.04073
   R27        2.70044  -0.00075   0.00034  -0.00010   0.00023   2.70067
   R28        3.33854  -0.00021   0.00133  -0.00066   0.00066   3.33920
   R29        2.67086   0.00034  -0.00039   0.00040   0.00000   2.67086
   R30        2.65311  -0.00008  -0.00016   0.00037   0.00020   2.65331
   R31        2.61711  -0.00080   0.00072  -0.00070   0.00003   2.61715
   R32        2.65117   0.00038  -0.00020   0.00031   0.00011   2.65128
   R33        2.62657  -0.00034   0.00012  -0.00023  -0.00011   2.62646
   R34        2.03701   0.00034   0.00041  -0.00042  -0.00001   2.03700
   R35        2.65003   0.00026   0.00006   0.00010   0.00016   2.65019
   R36        2.04951  -0.00002  -0.00000   0.00001   0.00001   2.04952
   R37        2.62516   0.00001   0.00010  -0.00025  -0.00015   2.62502
   R38        2.68177  -0.00043   0.00029  -0.00032  -0.00003   2.68174
   R39        2.04799  -0.00005  -0.00009   0.00004  -0.00005   2.04794
   R40        2.65062   0.00012  -0.00054   0.00024  -0.00030   2.65032
   R41        2.64985   0.00036  -0.00065   0.00035  -0.00030   2.64955
   R42        2.65011   0.00007  -0.00021   0.00016  -0.00005   2.65006
   R43        2.64990  -0.00012  -0.00008  -0.00005  -0.00012   2.64978
   R44        2.64559   0.00033  -0.00044   0.00030  -0.00014   2.64546
   R45        2.64576  -0.00006  -0.00009   0.00005  -0.00004   2.64572
   R46        2.67866  -0.00014   0.00010  -0.00005   0.00004   2.67871
   R47        2.64051  -0.00002  -0.00012   0.00006  -0.00005   2.64045
   R48        2.73769  -0.00019   0.00004  -0.00007  -0.00003   2.73767
   R49        2.64486  -0.00007  -0.00002  -0.00000  -0.00002   2.64485
   R50        2.67944  -0.00005   0.00006  -0.00004   0.00002   2.67946
   R51        2.64478  -0.00011   0.00009  -0.00006   0.00003   2.64481
   R52        2.64145  -0.00006  -0.00003  -0.00002  -0.00004   2.64140
   R53        2.67891  -0.00011   0.00005  -0.00004   0.00001   2.67892
   R54        2.64086   0.00000  -0.00016   0.00007  -0.00009   2.64077
   R55        2.73724  -0.00020   0.00005  -0.00008  -0.00003   2.73721
   R56        2.64481  -0.00006   0.00010  -0.00006   0.00004   2.64485
   R57        2.67933  -0.00011   0.00020  -0.00013   0.00007   2.67940
   R58        2.64466  -0.00004   0.00006  -0.00002   0.00004   2.64470
   R59        2.64110   0.00000  -0.00002   0.00003   0.00001   2.64111
   R60        2.68049  -0.00023   0.00010  -0.00013  -0.00002   2.68046
   R61        2.64075  -0.00006  -0.00001  -0.00002  -0.00003   2.64072
   R62        2.73703  -0.00012   0.00007  -0.00005   0.00002   2.73705
   R63        2.64520  -0.00007   0.00011  -0.00004   0.00007   2.64527
   R64        2.68038  -0.00012   0.00006  -0.00005   0.00001   2.68039
   R65        2.64508  -0.00008   0.00002  -0.00003  -0.00001   2.64507
   R66        2.64074   0.00004  -0.00021   0.00010  -0.00011   2.64063
   R67        2.63024  -0.00016  -0.00001  -0.00002  -0.00003   2.63021
   R68        2.05256   0.00000  -0.00005   0.00002  -0.00002   2.05254
   R69        2.65498  -0.00009   0.00003  -0.00002   0.00001   2.65498
   R70        2.05145  -0.00002   0.00002  -0.00001   0.00001   2.05146
   R71        2.63360  -0.00006   0.00004  -0.00003   0.00002   2.63361
   R72        2.05204   0.00012  -0.00003   0.00002  -0.00001   2.05202
   R73        2.04910  -0.00007  -0.00003   0.00002  -0.00001   2.04908
   R74        2.63309  -0.00008  -0.00001  -0.00002  -0.00003   2.63306
   R75        2.04898   0.00002   0.00015  -0.00008   0.00007   2.04905
   R76        2.65527  -0.00007   0.00002  -0.00001   0.00001   2.65528
   R77        2.05207   0.00002  -0.00005   0.00003  -0.00002   2.05205
   R78        2.63005  -0.00017   0.00005  -0.00006  -0.00001   2.63004
   R79        2.05146  -0.00001   0.00001  -0.00001   0.00000   2.05146
   R80        2.05264  -0.00000  -0.00002   0.00001  -0.00001   2.05263
   R81        2.63005  -0.00012  -0.00001  -0.00002  -0.00003   2.63002
   R82        2.05243   0.00009   0.00011  -0.00006   0.00005   2.05247
   R83        2.65471  -0.00010   0.00010  -0.00003   0.00006   2.65477
   R84        2.05129   0.00003  -0.00005   0.00003  -0.00002   2.05127
   R85        2.63296  -0.00010  -0.00008  -0.00001  -0.00009   2.63287
   R86        2.05199   0.00003  -0.00004   0.00003  -0.00002   2.05198
   R87        2.04852  -0.00003  -0.00009   0.00007  -0.00002   2.04850
   R88        2.63281  -0.00000  -0.00003   0.00001  -0.00002   2.63279
   R89        2.04866  -0.00003  -0.00010   0.00007  -0.00003   2.04863
   R90        2.65529  -0.00020   0.00013  -0.00009   0.00004   2.65533
   R91        2.05216  -0.00001  -0.00001   0.00000  -0.00001   2.05215
   R92        2.62985  -0.00015   0.00010  -0.00006   0.00003   2.62988
   R93        2.05144   0.00000  -0.00000   0.00000   0.00000   2.05144
   R94        2.05266  -0.00000  -0.00001   0.00000  -0.00001   2.05265
   R95        2.63006  -0.00008   0.00003  -0.00002   0.00002   2.63007
   R96        2.05274  -0.00000   0.00001  -0.00000   0.00001   2.05274
   R97        2.65566  -0.00013   0.00005  -0.00005   0.00000   2.65566
   R98        2.05142   0.00002  -0.00003   0.00002  -0.00001   2.05141
   R99        2.63281  -0.00002   0.00003  -0.00000   0.00003   2.63284
   R100       2.05223   0.00003  -0.00003   0.00002  -0.00001   2.05222
   R101       2.04941  -0.00004  -0.00003   0.00001  -0.00002   2.04939
   R102       2.63276  -0.00009   0.00009  -0.00006   0.00003   2.63280
   R103       2.04929  -0.00007   0.00003  -0.00002   0.00000   2.04929
   R104       2.65571  -0.00011   0.00003  -0.00002   0.00001   2.65572
   R105       2.05221   0.00001  -0.00005   0.00003  -0.00003   2.05219
   R106       2.62987  -0.00011   0.00005  -0.00004   0.00001   2.62988
   R107       2.05156  -0.00003   0.00008  -0.00004   0.00004   2.05159
   R108       2.05261   0.00004  -0.00009   0.00005  -0.00004   2.05257
   R109       2.78618  -0.00029  -0.00017   0.00012  -0.00005   2.78613
   R110       3.02530   0.00025   0.00095  -0.00045   0.00050   3.02580
   R111       3.04109  -0.00025  -0.00011   0.00057   0.00045   3.04154
   R112       2.76496   0.00232  -0.00119   0.00123   0.00005   2.76500
   R113       2.76030  -0.00013  -0.00100   0.00035  -0.00065   2.75965
   R114       2.86389  -0.00014   0.00040  -0.00024   0.00016   2.86405
   R115       2.06224   0.00057   0.00017   0.00003   0.00020   2.06244
   R116       2.06717  -0.00004   0.00019  -0.00010   0.00009   2.06725
   R117       2.06926  -0.00009   0.00001  -0.00007  -0.00005   2.06921
   R118       2.06628   0.00012   0.00010  -0.00004   0.00006   2.06634
   R119       2.06497   0.00002  -0.00013   0.00004  -0.00009   2.06488
   R120       2.86742   0.00001   0.00020   0.00035   0.00055   2.86797
   R121       2.06505  -0.00009   0.00020  -0.00005   0.00015   2.06520
   R122       2.06680   0.00034   0.00003   0.00038   0.00042   2.06722
   R123       2.06923   0.00007   0.00003   0.00003   0.00005   2.06929
   R124       2.06525  -0.00011  -0.00004  -0.00023  -0.00027   2.06498
   R125       2.06638   0.00010   0.00005   0.00003   0.00008   2.06646
   R126       5.36332  -0.00012   0.03488  -0.00379   0.03109   5.39441
    A1        2.09073  -0.00024   0.00034  -0.00024   0.00010   2.09083
    A2        2.09402   0.00011  -0.00011   0.00007  -0.00004   2.09398
    A3        2.09841   0.00014  -0.00022   0.00016  -0.00006   2.09835
    A4        2.10943   0.00012  -0.00013   0.00012  -0.00001   2.10942
    A5        2.07075  -0.00016   0.00005  -0.00012  -0.00008   2.07068
    A6        2.10281   0.00004   0.00012  -0.00001   0.00010   2.10292
    A7        2.07521   0.00008  -0.00030   0.00017  -0.00013   2.07508
    A8        2.14190  -0.00012   0.00051  -0.00026   0.00025   2.14215
    A9        2.06280   0.00003  -0.00016   0.00003  -0.00013   2.06266
   A10        2.09201  -0.00018   0.00037  -0.00025   0.00011   2.09212
   A11        2.09444   0.00032  -0.00019   0.00020   0.00000   2.09444
   A12        2.09618  -0.00013  -0.00027   0.00010  -0.00017   2.09601
   A13        2.10689   0.00018  -0.00035   0.00024  -0.00011   2.10678
   A14        2.06784  -0.00014   0.00022  -0.00015   0.00007   2.06791
   A15        2.10845  -0.00004   0.00013  -0.00010   0.00004   2.10849
   A16        2.08984   0.00005   0.00008  -0.00004   0.00004   2.08988
   A17        2.08758   0.00007  -0.00048   0.00033  -0.00015   2.08742
   A18        2.10575  -0.00011   0.00039  -0.00028   0.00011   2.10586
   A19        2.09679  -0.00006   0.00025  -0.00006   0.00019   2.09699
   A20        2.10135   0.00010  -0.00033  -0.00002  -0.00034   2.10101
   A21        2.07968  -0.00004   0.00005   0.00004   0.00010   2.07978
   A22        2.07249  -0.00019   0.00094  -0.00055   0.00038   2.07287
   A23        2.06891   0.00014  -0.00033   0.00007  -0.00027   2.06864
   A24        2.13704   0.00006  -0.00092   0.00061  -0.00030   2.13674
   A25        1.94956  -0.00009   0.00184  -0.00096   0.00088   1.95044
   A26        2.05733  -0.00014   0.00170  -0.00055   0.00117   2.05850
   A27        2.01848   0.00004   0.00001   0.00014   0.00012   2.01860
   A28        2.02896  -0.00015   0.00098  -0.00030   0.00067   2.02963
   A29        2.08055   0.00045  -0.00125   0.00067  -0.00057   2.07998
   A30        2.17098  -0.00031   0.00004  -0.00029  -0.00026   2.17072
   A31        2.11905  -0.00004   0.00027  -0.00014   0.00012   2.11917
   A32        2.09477   0.00011  -0.00077   0.00040  -0.00037   2.09440
   A33        2.06877  -0.00007   0.00051  -0.00025   0.00026   2.06904
   A34        2.08001   0.00003  -0.00024   0.00007  -0.00016   2.07985
   A35        2.10045  -0.00007   0.00103  -0.00053   0.00050   2.10094
   A36        2.10194   0.00004  -0.00075   0.00044  -0.00031   2.10163
   A37        2.09184  -0.00007   0.00016  -0.00004   0.00012   2.09196
   A38        2.09024   0.00012  -0.00013   0.00019   0.00006   2.09030
   A39        2.10074  -0.00006  -0.00005  -0.00014  -0.00019   2.10056
   A40        2.12224  -0.00003   0.00027  -0.00013   0.00014   2.12238
   A41        2.09921   0.00000   0.00080  -0.00014   0.00067   2.09988
   A42        2.06016   0.00003  -0.00107   0.00030  -0.00077   2.05939
   A43        2.08073  -0.00019   0.00034  -0.00014   0.00023   2.08096
   A44        2.05851   0.00029   0.00378  -0.00282   0.00103   2.05954
   A45        2.07795   0.00001  -0.00252   0.00178  -0.00066   2.07729
   A46        2.07758   0.00001   0.00015  -0.00030  -0.00018   2.07740
   A47        2.14764  -0.00011  -0.00014   0.00089   0.00078   2.14842
   A48        2.05685   0.00010   0.00003  -0.00055  -0.00050   2.05635
   A49        2.14062   0.00020  -0.00028   0.00029  -0.00000   2.14062
   A50        2.10507  -0.00030   0.00033   0.00007   0.00040   2.10547
   A51        2.03715   0.00010  -0.00010  -0.00034  -0.00043   2.03673
   A52        2.07634   0.00024  -0.00033   0.00035   0.00001   2.07635
   A53        2.11146   0.00005  -0.00013   0.00031   0.00017   2.11163
   A54        2.10708  -0.00028   0.00015  -0.00018  -0.00004   2.10705
   A55        2.06462   0.00023  -0.00003  -0.00012  -0.00014   2.06447
   A56        2.11284   0.00017  -0.00005   0.00026   0.00021   2.11305
   A57        2.08515  -0.00020  -0.00002  -0.00017  -0.00019   2.08496
   A58        2.08520   0.00003   0.00007  -0.00009  -0.00002   2.08518
   A59        2.06943  -0.00019   0.00011  -0.00037  -0.00026   2.06917
   A60        2.10474  -0.00002  -0.00029   0.00012  -0.00017   2.10457
   A61        2.10901   0.00021   0.00018   0.00025   0.00043   2.10944
   A62        2.11013   0.00017  -0.00032   0.00031  -0.00001   2.11011
   A63        2.05583  -0.00039   0.00082  -0.00074   0.00008   2.05591
   A64        2.11719   0.00022  -0.00049   0.00043  -0.00006   2.11713
   A65        2.19547   0.00004  -0.00004   0.00006   0.00002   2.19550
   A66        2.19650   0.00017  -0.00011   0.00002  -0.00009   2.19641
   A67        1.89120  -0.00022   0.00014  -0.00008   0.00006   1.89125
   A68        2.19076  -0.00002  -0.00060   0.00030  -0.00030   2.19046
   A69        2.20047   0.00011   0.00043  -0.00023   0.00020   2.20067
   A70        1.89178  -0.00008   0.00009  -0.00006   0.00003   1.89181
   A71        2.19577   0.00010   0.00000   0.00004   0.00004   2.19582
   A72        2.19493   0.00002  -0.00012   0.00006  -0.00006   2.19486
   A73        1.89248  -0.00011   0.00013  -0.00010   0.00002   1.89250
   A74        1.90026   0.00004  -0.00002  -0.00001  -0.00003   1.90023
   A75        2.25854   0.00003  -0.00001   0.00008   0.00007   2.25862
   A76        2.12387  -0.00008   0.00005  -0.00009  -0.00003   2.12383
   A77        1.86639  -0.00002  -0.00001   0.00001   0.00000   1.86639
   A78        2.08563   0.00007  -0.00005   0.00007   0.00002   2.08565
   A79        2.33111  -0.00005   0.00006  -0.00008  -0.00002   2.33109
   A80        1.86633   0.00005  -0.00006   0.00002  -0.00003   1.86630
   A81        2.33049  -0.00008   0.00000   0.00000   0.00001   2.33050
   A82        2.08626   0.00003   0.00004  -0.00002   0.00002   2.08628
   A83        1.90001   0.00001  -0.00001   0.00003   0.00003   1.90004
   A84        2.26122   0.00004   0.00012  -0.00009   0.00003   2.26125
   A85        2.12114  -0.00005  -0.00010   0.00005  -0.00004   2.12110
   A86        1.90034   0.00008   0.00012  -0.00005   0.00007   1.90040
   A87        2.25999   0.00010  -0.00052   0.00029  -0.00023   2.25976
   A88        2.12224  -0.00018   0.00048  -0.00026   0.00021   2.12245
   A89        1.86650   0.00005  -0.00018   0.00009  -0.00009   1.86641
   A90        2.08635   0.00009  -0.00033   0.00017  -0.00016   2.08619
   A91        2.33025  -0.00014   0.00054  -0.00027   0.00027   2.33051
   A92        1.86617   0.00007  -0.00016   0.00010  -0.00006   1.86611
   A93        2.33036  -0.00016   0.00039  -0.00022   0.00017   2.33053
   A94        2.08662   0.00009  -0.00023   0.00012  -0.00011   2.08652
   A95        1.90056   0.00001   0.00007  -0.00005   0.00002   1.90059
   A96        2.26204   0.00012  -0.00025   0.00015  -0.00010   2.26194
   A97        2.12016  -0.00013   0.00020  -0.00013   0.00008   2.12023
   A98        1.90105  -0.00005   0.00007  -0.00004   0.00003   1.90108
   A99        2.25893   0.00007  -0.00023   0.00008  -0.00015   2.25878
   A100       2.12289  -0.00002   0.00016  -0.00005   0.00011   2.12300
   A101       1.86505   0.00009  -0.00012   0.00009  -0.00002   1.86503
   A102       2.08546   0.00001  -0.00010   0.00004  -0.00007   2.08539
   A103       2.33264  -0.00010   0.00022  -0.00013   0.00009   2.33273
   A104       1.86530   0.00001  -0.00002  -0.00001  -0.00003   1.86527
   A105       2.33274  -0.00006   0.00032  -0.00012   0.00020   2.33294
   A106       2.08510   0.00004  -0.00028   0.00012  -0.00016   2.08494
   A107       1.90090   0.00006  -0.00007   0.00006  -0.00001   1.90089
   A108       2.25912   0.00001  -0.00023   0.00008  -0.00015   2.25897
   A109       2.12283  -0.00006   0.00034  -0.00015   0.00019   2.12302
   A110       2.08015   0.00002  -0.00003   0.00002  -0.00001   2.08014
   A111       2.10005  -0.00002   0.00018  -0.00008   0.00010   2.10016
   A112       2.10298  -0.00001  -0.00015   0.00006  -0.00009   2.10288
   A113       2.10417  -0.00003   0.00007  -0.00004   0.00003   2.10420
   A114       2.09172   0.00001  -0.00013   0.00005  -0.00008   2.09164
   A115       2.08727   0.00002   0.00006  -0.00001   0.00005   2.08732
   A116       2.11909   0.00004  -0.00011   0.00006  -0.00006   2.11903
   A117       2.08580  -0.00002  -0.00001   0.00001  -0.00000   2.08580
   A118       2.07828  -0.00002   0.00013  -0.00007   0.00006   2.07834
   A119       2.05529  -0.00002   0.00016  -0.00008   0.00008   2.05537
   A120       2.11877   0.00002   0.00000  -0.00001   0.00000   2.11877
   A121       2.10908  -0.00000  -0.00016   0.00008  -0.00008   2.10901
   A122       2.05280   0.00001   0.00003   0.00001   0.00004   2.05284
   A123       2.11898   0.00002  -0.00021   0.00011  -0.00011   2.11888
   A124       2.11134  -0.00002   0.00018  -0.00011   0.00007   2.11141
   A125       2.12005   0.00003  -0.00004   0.00004  -0.00000   2.12005
   A126       2.07755   0.00001  -0.00013   0.00004  -0.00009   2.07746
   A127       2.08557  -0.00004   0.00017  -0.00008   0.00009   2.08566
   A128       2.10476  -0.00003   0.00003  -0.00004  -0.00001   2.10475
   A129       2.08702   0.00002  -0.00002   0.00001  -0.00001   2.08701
   A130       2.09137   0.00002  -0.00001   0.00003   0.00002   2.09140
   A131       2.07905   0.00001  -0.00001   0.00000  -0.00001   2.07905
   A132       2.10082  -0.00002   0.00015  -0.00008   0.00007   2.10088
   A133       2.10330   0.00001  -0.00014   0.00007  -0.00007   2.10324
   A134       2.08034  -0.00001   0.00005  -0.00003   0.00003   2.08037
   A135       2.09979   0.00000   0.00011  -0.00006   0.00005   2.09984
   A136       2.10305   0.00001  -0.00016   0.00008  -0.00008   2.10298
   A137       2.10385  -0.00002   0.00006  -0.00004   0.00002   2.10387
   A138       2.09189   0.00002  -0.00012   0.00005  -0.00007   2.09182
   A139       2.08744   0.00001   0.00006  -0.00002   0.00005   2.08749
   A140       2.11891   0.00002  -0.00001   0.00000  -0.00001   2.11890
   A141       2.08758   0.00000  -0.00018   0.00008  -0.00010   2.08748
   A142       2.07670  -0.00002   0.00019  -0.00008   0.00010   2.07680
   A143       2.05631   0.00006  -0.00008   0.00006  -0.00002   2.05629
   A144       2.11961   0.00001  -0.00028   0.00013  -0.00014   2.11947
   A145       2.10724  -0.00006   0.00036  -0.00019   0.00017   2.10741
   A146       2.05400   0.00007  -0.00018   0.00011  -0.00007   2.05393
   A147       2.11901   0.00001  -0.00022   0.00015  -0.00008   2.11893
   A148       2.11013  -0.00008   0.00041  -0.00026   0.00015   2.11028
   A149       2.11991   0.00002  -0.00009   0.00004  -0.00005   2.11986
   A150       2.07786  -0.00002   0.00033  -0.00013   0.00020   2.07807
   A151       2.08540  -0.00000  -0.00024   0.00009  -0.00015   2.08525
   A152       2.10428  -0.00005   0.00017  -0.00009   0.00008   2.10436
   A153       2.08711   0.00003  -0.00004   0.00005   0.00001   2.08712
   A154       2.09178   0.00002  -0.00013   0.00004  -0.00009   2.09169
   A155       2.07936   0.00004  -0.00004   0.00003  -0.00001   2.07936
   A156       2.10019  -0.00000   0.00010  -0.00004   0.00006   2.10025
   A157       2.10361  -0.00004  -0.00006   0.00001  -0.00005   2.10356
   A158       2.08005   0.00001   0.00005  -0.00002   0.00003   2.08008
   A159       2.10025  -0.00001   0.00013  -0.00002   0.00011   2.10037
   A160       2.10287  -0.00001  -0.00018   0.00004  -0.00014   2.10273
   A161       2.10450   0.00000   0.00008  -0.00002   0.00006   2.10456
   A162       2.09183  -0.00002   0.00003  -0.00004  -0.00001   2.09183
   A163       2.08684   0.00002  -0.00011   0.00006  -0.00005   2.08679
   A164       2.11946  -0.00001  -0.00007   0.00001  -0.00006   2.11940
   A165       2.08523  -0.00002   0.00012  -0.00006   0.00007   2.08529
   A166       2.07849   0.00003  -0.00005   0.00004  -0.00001   2.07848
   A167       2.05430   0.00002  -0.00011   0.00005  -0.00006   2.05424
   A168       2.11733  -0.00001  -0.00010   0.00004  -0.00006   2.11727
   A169       2.11153  -0.00001   0.00021  -0.00009   0.00012   2.11165
   A170       2.05391   0.00002  -0.00005   0.00002  -0.00003   2.05388
   A171       2.11760  -0.00001  -0.00007   0.00003  -0.00005   2.11755
   A172       2.11167  -0.00001   0.00012  -0.00004   0.00008   2.11175
   A173       2.11975   0.00000  -0.00011   0.00004  -0.00007   2.11969
   A174       2.07825   0.00000   0.00017  -0.00005   0.00012   2.07836
   A175       2.08519  -0.00000  -0.00006   0.00001  -0.00005   2.08514
   A176       2.10473  -0.00005   0.00019  -0.00009   0.00010   2.10483
   A177       2.08691   0.00002  -0.00011   0.00005  -0.00006   2.08684
   A178       2.09155   0.00003  -0.00007   0.00004  -0.00003   2.09151
   A179       2.07954   0.00004  -0.00009   0.00004  -0.00005   2.07949
   A180       2.10060  -0.00003   0.00022  -0.00009   0.00013   2.10073
   A181       2.10304  -0.00001  -0.00013   0.00005  -0.00008   2.10296
   A182       2.02185   0.00055   0.00052  -0.00016   0.00036   2.02221
   A183       1.83190   0.00160  -0.00355   0.00141  -0.00215   1.82975
   A184       1.72051  -0.00167  -0.00176   0.00030  -0.00146   1.71904
   A185       2.02955  -0.00042   0.00133  -0.00139  -0.00007   2.02948
   A186       2.03337   0.00009   0.00187   0.00031   0.00218   2.03555
   A187       1.78501  -0.00027   0.00086  -0.00014   0.00071   1.78572
   A188       2.13090   0.00435  -0.00219   0.00101  -0.00117   2.12973
   A189       2.07583  -0.00117   0.00465  -0.00289   0.00176   2.07759
   A190       1.89615  -0.00067  -0.00025  -0.00031  -0.00056   1.89558
   A191       1.90963   0.00276  -0.00132   0.00158   0.00026   1.90989
   A192       1.85343  -0.00110   0.00153  -0.00117   0.00036   1.85378
   A193       1.94798  -0.00073   0.00003   0.00007   0.00010   1.94808
   A194       1.95220   0.00060   0.00013   0.00000   0.00014   1.95234
   A195       1.90177  -0.00079  -0.00010  -0.00018  -0.00028   1.90150
   A196       1.90838   0.00003   0.00073  -0.00026   0.00047   1.90884
   A197       1.94040  -0.00002  -0.00059   0.00022  -0.00037   1.94003
   A198       1.93089   0.00000  -0.00076   0.00017  -0.00059   1.93030
   A199       1.89189  -0.00000   0.00014  -0.00004   0.00010   1.89199
   A200       1.89072  -0.00002   0.00042  -0.00008   0.00034   1.89107
   A201       1.90048   0.00001   0.00009  -0.00001   0.00008   1.90056
   A202       1.92792   0.00045   0.00417   0.00165   0.00581   1.93373
   A203       1.83162  -0.00014  -0.00286  -0.00056  -0.00342   1.82820
   A204       1.91508  -0.00036  -0.00188  -0.00110  -0.00302   1.91206
   A205       1.95351  -0.00006  -0.00092  -0.00016  -0.00107   1.95245
   A206       1.94293   0.00023   0.00270   0.00062   0.00331   1.94624
   A207       1.88917  -0.00017  -0.00166  -0.00059  -0.00225   1.88692
   A208       1.91596  -0.00012  -0.00089   0.00024  -0.00065   1.91530
   A209       1.92538   0.00018   0.00136   0.00020   0.00157   1.92694
   A210       1.93277  -0.00006  -0.00106  -0.00027  -0.00132   1.93145
   A211       1.89371   0.00010   0.00090   0.00067   0.00157   1.89528
   A212       1.89009   0.00002  -0.00035  -0.00033  -0.00068   1.88941
   A213       1.90515  -0.00011   0.00005  -0.00052  -0.00047   1.90468
   A214       2.25209   0.00507  -0.01849   0.00284  -0.01565   2.23645
    D1       -0.00283   0.00004  -0.00032   0.00047   0.00015  -0.00268
    D2        3.11778  -0.00001   0.00138  -0.00022   0.00116   3.11893
    D3        3.13114   0.00007  -0.00016   0.00041   0.00025   3.13140
    D4       -0.03144   0.00001   0.00155  -0.00029   0.00126  -0.03017
    D5       -0.03706  -0.00002  -0.00007   0.00002  -0.00006  -0.03711
    D6        3.11071  -0.00003   0.00123  -0.00075   0.00048   3.11119
    D7        3.11217  -0.00005  -0.00024   0.00008  -0.00016   3.11201
    D8       -0.02324  -0.00005   0.00106  -0.00068   0.00038  -0.02287
    D9        2.24174   0.00011  -0.00606   0.00228  -0.00378   2.23796
   D10       -0.89310   0.00009  -0.00500   0.00192  -0.00308  -0.89617
   D11       -0.90751   0.00013  -0.00588   0.00221  -0.00368  -0.91118
   D12        2.24084   0.00011  -0.00482   0.00185  -0.00297   2.23787
   D13        0.05612  -0.00001   0.00018  -0.00037  -0.00019   0.05593
   D14       -2.99688   0.00004  -0.00050   0.00050  -0.00001  -2.99689
   D15       -3.06410   0.00005  -0.00155   0.00034  -0.00121  -3.06532
   D16        0.16608   0.00010  -0.00224   0.00121  -0.00103   0.16505
   D17       -0.07004  -0.00003   0.00031  -0.00019   0.00013  -0.06992
   D18        3.03599   0.00007  -0.00322   0.00159  -0.00163   3.03436
   D19        2.98699  -0.00009   0.00101  -0.00103  -0.00003   2.98697
   D20       -0.19016   0.00001  -0.00253   0.00075  -0.00178  -0.19194
   D21       -2.90733  -0.00014   0.00396  -0.00282   0.00114  -2.90619
   D22        0.34623  -0.00009   0.00411  -0.00242   0.00170   0.34793
   D23        0.32226  -0.00009   0.00328  -0.00196   0.00132   0.32358
   D24       -2.70736  -0.00004   0.00344  -0.00156   0.00188  -2.70549
   D25        0.03124   0.00005  -0.00070   0.00067  -0.00003   0.03121
   D26       -3.11380   0.00004  -0.00087   0.00054  -0.00033  -3.11413
   D27       -3.07475  -0.00005   0.00284  -0.00112   0.00172  -3.07304
   D28        0.06339  -0.00007   0.00266  -0.00124   0.00142   0.06481
   D29       -0.35138  -0.00016   0.00438  -0.00133   0.00306  -0.34832
   D30        2.86549  -0.00009   0.00782  -0.00244   0.00538   2.87087
   D31        2.75457  -0.00006   0.00085   0.00045   0.00131   2.75588
   D32       -0.31175   0.00001   0.00429  -0.00066   0.00363  -0.30812
   D33        0.02274  -0.00003   0.00058  -0.00058   0.00000   0.02274
   D34       -3.12509  -0.00002  -0.00074   0.00019  -0.00055  -3.12564
   D35       -3.11531  -0.00001   0.00076  -0.00045   0.00031  -3.11501
   D36        0.02004  -0.00000  -0.00056   0.00032  -0.00024   0.01980
   D37        0.10678   0.00017  -0.00552   0.00348  -0.00205   0.10473
   D38       -2.93292   0.00007  -0.00205   0.00207   0.00003  -2.93289
   D39        3.13778   0.00013  -0.00570   0.00308  -0.00262   3.13516
   D40        0.09809   0.00003  -0.00222   0.00167  -0.00055   0.09754
   D41        2.98945  -0.00010   0.00166  -0.00176  -0.00010   2.98935
   D42       -0.11445  -0.00013   0.00143  -0.00200  -0.00056  -0.11501
   D43       -0.04126  -0.00005   0.00180  -0.00136   0.00044  -0.04082
   D44        3.13803  -0.00008   0.00157  -0.00159  -0.00002   3.13801
   D45       -0.62082  -0.00023   0.00668  -0.00362   0.00306  -0.61776
   D46       -3.02108  -0.00001   0.00245  -0.00204   0.00042  -3.02066
   D47        2.41468  -0.00012   0.00311  -0.00220   0.00090   2.41559
   D48        0.01442   0.00009  -0.00112  -0.00061  -0.00174   0.01268
   D49       -0.08131  -0.00000   0.00087  -0.00081   0.00006  -0.08125
   D50        2.99890   0.00001   0.00074  -0.00006   0.00067   2.99957
   D51       -3.11702  -0.00009   0.00437  -0.00219   0.00217  -3.11485
   D52       -0.03681  -0.00008   0.00424  -0.00145   0.00279  -0.03402
   D53        0.73813   0.00018  -0.00596   0.00251  -0.00345   0.73468
   D54       -2.48309   0.00014  -0.00965   0.00373  -0.00592  -2.48901
   D55       -3.12717  -0.00011  -0.00106   0.00066  -0.00041  -3.12758
   D56       -0.06521  -0.00015  -0.00475   0.00188  -0.00288  -0.06808
   D57        2.42363  -0.00008   0.00341  -0.00165   0.00176   2.42540
   D58       -1.10349   0.00024   0.00784  -0.00454   0.00329  -1.10020
   D59        0.05185   0.00020  -0.00178   0.00047  -0.00132   0.05054
   D60        2.80791   0.00052   0.00265  -0.00242   0.00021   2.80812
   D61        3.10557  -0.00006   0.00237  -0.00103   0.00134   3.10691
   D62        0.04580   0.00000   0.00608  -0.00225   0.00383   0.04962
   D63       -0.03547   0.00006   0.00001   0.00014   0.00015  -0.03532
   D64       -3.13465   0.00004  -0.00112   0.00051  -0.00061  -3.13526
   D65        3.06897   0.00009   0.00020   0.00039   0.00059   3.06956
   D66       -0.03020   0.00007  -0.00092   0.00075  -0.00017  -0.03038
   D67        0.05392  -0.00003  -0.00139   0.00075  -0.00064   0.05328
   D68       -3.05858   0.00002  -0.00102   0.00048  -0.00054  -3.05912
   D69       -3.13012  -0.00002  -0.00022   0.00036   0.00014  -3.12998
   D70        0.04056   0.00004   0.00015   0.00009   0.00024   0.04080
   D71       -2.22764  -0.00003   0.00389  -0.00139   0.00250  -2.22514
   D72        0.89151   0.00002  -0.00073  -0.00058  -0.00131   0.89021
   D73        0.95691  -0.00005   0.00273  -0.00101   0.00172   0.95864
   D74       -2.20712  -0.00001  -0.00189  -0.00020  -0.00208  -2.20921
   D75        0.00497   0.00000   0.00096  -0.00041   0.00055   0.00552
   D76       -3.07656  -0.00001   0.00102  -0.00112  -0.00010  -3.07666
   D77        3.11730  -0.00005   0.00058  -0.00014   0.00045   3.11775
   D78        0.03577  -0.00006   0.00065  -0.00085  -0.00020   0.03557
   D79       -0.02624  -0.00011   0.00641  -0.00220   0.00422  -0.02203
   D80       -3.11607  -0.00018   0.00513  -0.00323   0.00191  -3.11416
   D81       -2.77799  -0.00050   0.00056   0.00175   0.00230  -2.77569
   D82        0.41537  -0.00057  -0.00072   0.00071  -0.00001   0.41535
   D83        0.16162   0.00052   0.00027   0.00072   0.00101   0.16263
   D84       -2.10202  -0.00069   0.00115   0.00150   0.00266  -2.09936
   D85        2.34442  -0.00025   0.00164   0.00123   0.00287   2.34728
   D86        2.91830   0.00080   0.00533  -0.00259   0.00274   2.92104
   D87        0.65467  -0.00042   0.00621  -0.00181   0.00439   0.65905
   D88       -1.18208   0.00003   0.00670  -0.00209   0.00459  -1.17749
   D89        0.00478  -0.00004  -0.00541   0.00195  -0.00346   0.00132
   D90       -3.10766   0.00002  -0.00307   0.00077  -0.00230  -3.10996
   D91        3.09731   0.00002  -0.00421   0.00297  -0.00124   3.09607
   D92       -0.01514   0.00008  -0.00186   0.00179  -0.00007  -0.01521
   D93        3.12592  -0.00001   0.00259  -0.00051   0.00208   3.12800
   D94       -0.02317   0.00003  -0.00063   0.00144   0.00081  -0.02236
   D95        0.03552  -0.00007   0.00133  -0.00154  -0.00022   0.03530
   D96       -3.11358  -0.00004  -0.00190   0.00041  -0.00148  -3.11506
   D97       -0.01458   0.00009  -0.00090   0.00029  -0.00060  -0.01518
   D98        3.09893   0.00003  -0.00316   0.00144  -0.00171   3.09722
   D99       -0.01248  -0.00005   0.00134  -0.00108   0.00027  -0.01221
   D100       3.11963  -0.00007   0.00178  -0.00088   0.00090   3.12054
   D101      -3.12659   0.00000   0.00356  -0.00220   0.00136  -3.12524
   D102       0.00552  -0.00002   0.00400  -0.00200   0.00199   0.00751
   D103      -0.02888   0.00003  -0.00025   0.00056   0.00031  -0.02856
   D104       3.11244   0.00001   0.00082   0.00020   0.00102   3.11346
   D105       3.12004   0.00001   0.00290  -0.00135   0.00155   3.12159
   D106      -0.02183  -0.00002   0.00396  -0.00170   0.00226  -0.01957
   D107       0.00059   0.00000  -0.00033   0.00020  -0.00012   0.00046
   D108      -3.13926   0.00002  -0.00099   0.00034  -0.00064  -3.13990
   D109      -3.14072   0.00002  -0.00139   0.00056  -0.00083  -3.14156
   D110       0.00262   0.00004  -0.00205   0.00070  -0.00135   0.00126
   D111       0.01983   0.00001  -0.00022   0.00006  -0.00017   0.01966
   D112      -3.11195   0.00003  -0.00069  -0.00014  -0.00083  -3.11277
   D113      -3.12352  -0.00001   0.00044  -0.00008   0.00035  -3.12316
   D114       0.02789   0.00002  -0.00003  -0.00028  -0.00031   0.02759
   D115      -2.16537  -0.00008   0.00242  -0.00139   0.00103  -2.16434
   D116       0.97254  -0.00011   0.00864  -0.00238   0.00626   0.97880
   D117       0.97801  -0.00006   0.00174  -0.00125   0.00050   0.97851
   D118      -2.16727  -0.00010   0.00796  -0.00223   0.00573  -2.16153
   D119      -3.13797  -0.00003   0.00131  -0.00041   0.00090  -3.13707
   D120      -0.03441  -0.00005   0.00369  -0.00122   0.00248  -0.03193
   D121      -0.00215  -0.00001   0.00040  -0.00010   0.00030  -0.00185
   D122       3.10141  -0.00003   0.00278  -0.00091   0.00187   3.10329
   D123       3.13921   0.00003  -0.00127   0.00043  -0.00084   3.13837
   D124      -0.03407  -0.00003  -0.00024  -0.00040  -0.00064  -0.03470
   D125       0.00339   0.00001  -0.00036   0.00012  -0.00024   0.00315
   D126       3.11330  -0.00005   0.00068  -0.00071  -0.00003   3.11327
   D127       3.12179   0.00003  -0.00391   0.00092  -0.00299   3.11881
   D128       0.01475   0.00007  -0.00464   0.00133  -0.00331   0.01144
   D129      -0.00068  -0.00001   0.00003   0.00023   0.00026  -0.00043
   D130      -3.10773   0.00003  -0.00070   0.00064  -0.00007  -3.10780
   D131      -3.12317  -0.00003   0.00377  -0.00082   0.00296  -3.12021
   D132       0.06191  -0.00001   0.00337  -0.00075   0.00262   0.06453
   D133      -0.00082   0.00001  -0.00019  -0.00012  -0.00031  -0.00114
   D134      -3.09893   0.00002  -0.00060  -0.00005  -0.00065  -3.09958
   D135       3.13561  -0.00003   0.00479  -0.00087   0.00393   3.13954
   D136       0.02114  -0.00001   0.00490  -0.00074   0.00417   0.02530
   D137      -0.00283   0.00000  -0.00053  -0.00002  -0.00055  -0.00338
   D138      -3.11730   0.00002  -0.00042   0.00011  -0.00031  -3.11761
   D139      -3.13683   0.00003  -0.00488   0.00091  -0.00397  -3.14080
   D140       0.03287   0.00005  -0.00679   0.00140  -0.00539   0.02747
   D141       0.00161   0.00000   0.00044   0.00007   0.00050   0.00211
   D142      -3.11188   0.00002  -0.00147   0.00055  -0.00092  -3.11279
   D143       0.00188   0.00001   0.00015  -0.00025  -0.00010   0.00178
   D144      -3.13053   0.00002  -0.00013   0.00011  -0.00002  -3.13055
   D145       3.11210  -0.00003   0.00081  -0.00062   0.00019   3.11229
   D146      -0.02030  -0.00001   0.00053  -0.00025   0.00027  -0.02003
   D147       3.12288  -0.00004   0.00038  -0.00023   0.00014   3.12302
   D148      -0.00729  -0.00004   0.00085  -0.00051   0.00034  -0.00695
   D149       0.01970   0.00000  -0.00043   0.00022  -0.00021   0.01949
   D150      -3.11047  -0.00000   0.00005  -0.00006  -0.00002  -3.11048
   D151      -0.00234   0.00000  -0.00026   0.00017  -0.00009  -0.00243
   D152       3.12275   0.00001  -0.00096   0.00049  -0.00047   3.12228
   D153       3.12821  -0.00002   0.00008  -0.00026  -0.00019   3.12803
   D154      -0.02988  -0.00001  -0.00062   0.00006  -0.00057  -0.03045
   D155       0.00600   0.00001  -0.00022   0.00014  -0.00008   0.00592
   D156       3.14145   0.00001  -0.00030   0.00007  -0.00023   3.14122
   D157      -3.12346   0.00003  -0.00060   0.00062   0.00002  -3.12343
   D158       0.01199   0.00003  -0.00067   0.00055  -0.00012   0.01187
   D159       0.00196  -0.00001   0.00028  -0.00004   0.00025   0.00221
   D160       3.10423  -0.00002   0.00065  -0.00010   0.00055   3.10478
   D161      -3.12588  -0.00002   0.00086  -0.00030   0.00056  -3.12531
   D162      -0.02361  -0.00002   0.00123  -0.00037   0.00087  -0.02275
   D163      -3.11658   0.00001   0.00020  -0.00026  -0.00007  -3.11665
   D164       0.02030  -0.00002   0.00074  -0.00046   0.00028   0.02058
   D165       0.00687   0.00002  -0.00057   0.00009  -0.00049   0.00638
   D166      -3.13944  -0.00001  -0.00003  -0.00011  -0.00014  -3.13957
   D167       3.11669  -0.00002  -0.00059   0.00027  -0.00031   3.11638
   D168      -0.01528   0.00007  -0.00124   0.00094  -0.00030  -0.01558
   D169       0.02338  -0.00001  -0.00104   0.00035  -0.00069   0.02269
   D170      -3.10859   0.00008  -0.00169   0.00102  -0.00068  -3.10927
   D171       0.00011   0.00001  -0.00028   0.00004  -0.00024  -0.00013
   D172       3.12906  -0.00000   0.00173  -0.00048   0.00125   3.13031
   D173      -3.10703   0.00002  -0.00241   0.00076  -0.00165  -3.10868
   D174       0.02192   0.00001  -0.00040   0.00024  -0.00016   0.02176
   D175      -3.12048   0.00001  -0.00200   0.00061  -0.00139  -3.12187
   D176       0.01020   0.00001  -0.00136   0.00044  -0.00092   0.00928
   D177      -0.02113  -0.00001   0.00064  -0.00029   0.00035  -0.02078
   D178       3.10954  -0.00001   0.00128  -0.00045   0.00082   3.11037
   D179       0.00194  -0.00001   0.00006   0.00003   0.00009   0.00202
   D180      -3.13115   0.00001  -0.00077   0.00028  -0.00049  -3.13164
   D181      -3.12449   0.00000  -0.00234   0.00065  -0.00169  -3.12619
   D182       0.02560   0.00002  -0.00317   0.00090  -0.00227   0.02333
   D183      -0.00671  -0.00001  -0.00023   0.00002  -0.00021  -0.00692
   D184       3.14127  -0.00000   0.00002  -0.00011  -0.00010   3.14117
   D185       3.11821  -0.00002   0.00241  -0.00066   0.00176   3.11996
   D186      -0.01699  -0.00001   0.00266  -0.00079   0.00186  -0.01513
   D187      -0.00328   0.00000   0.00019  -0.00009   0.00009  -0.00319
   D188      -3.11625   0.00004  -0.00074   0.00065  -0.00009  -3.11634
   D189       3.13122  -0.00001   0.00088  -0.00030   0.00057   3.13180
   D190       0.01825   0.00003  -0.00005   0.00044   0.00039   0.01864
   D191       3.12866  -0.00002   0.00069  -0.00056   0.00013   3.12879
   D192      -0.00996  -0.00003   0.00042  -0.00026   0.00016  -0.00980
   D193      -0.00358  -0.00001  -0.00022  -0.00029  -0.00050  -0.00408
   D194       3.14098  -0.00001  -0.00049   0.00001  -0.00047   3.14051
   D195      -3.12624   0.00002  -0.00092   0.00062  -0.00030  -3.12654
   D196       0.00816   0.00003  -0.00054   0.00046  -0.00009   0.00807
   D197      -0.01979  -0.00004   0.00023  -0.00030  -0.00007  -0.01987
   D198       3.11460  -0.00002   0.00061  -0.00047   0.00014   3.11475
   D199       0.00290  -0.00000   0.00041  -0.00003   0.00038   0.00329
   D200      -3.13088   0.00000  -0.00021   0.00015  -0.00006  -3.13094
   D201       3.11990  -0.00002   0.00030  -0.00014   0.00016   3.12006
   D202      -0.01389  -0.00001  -0.00032   0.00004  -0.00028  -0.01417
   D203       3.12444  -0.00001  -0.00015  -0.00014  -0.00029   3.12415
   D204      -0.01404  -0.00001  -0.00030  -0.00003  -0.00034  -0.01438
   D205       0.01298   0.00001  -0.00003  -0.00000  -0.00003   0.01295
   D206      -3.12551   0.00001  -0.00018   0.00011  -0.00007  -3.12558
   D207      -0.00189   0.00000  -0.00014   0.00007  -0.00007  -0.00196
   D208       3.12931  -0.00001   0.00200  -0.00058   0.00142   3.13074
   D209       3.13032  -0.00000   0.00061  -0.00015   0.00046   3.13077
   D210      -0.02167  -0.00002   0.00275  -0.00080   0.00195  -0.01972
   D211       0.00470   0.00000   0.00058  -0.00007   0.00051   0.00521
   D212      -3.14062  -0.00000   0.00039  -0.00012   0.00027  -3.14035
   D213      -3.12657   0.00001  -0.00025   0.00017  -0.00007  -3.12664
   D214       0.01130   0.00001  -0.00043   0.00012  -0.00031   0.01099
   D215       0.00019  -0.00000  -0.00018  -0.00008  -0.00026  -0.00007
   D216       3.11629  -0.00002   0.00154  -0.00052   0.00102   3.11732
   D217      -3.13276   0.00001  -0.00196   0.00046  -0.00151  -3.13427
   D218      -0.01666  -0.00000  -0.00024   0.00002  -0.00022  -0.01688
   D219      -3.12456   0.00001  -0.00175   0.00053  -0.00122  -3.12579
   D220       0.01171   0.00002  -0.00217   0.00069  -0.00147   0.01024
   D221       0.00560  -0.00001   0.00061  -0.00019   0.00042   0.00603
   D222      -3.14130  -0.00000   0.00019  -0.00002   0.00017  -3.14113
   D223       3.12600  -0.00001   0.00188  -0.00042   0.00146   3.12746
   D224      -0.00748  -0.00000   0.00189  -0.00039   0.00150  -0.00598
   D225       0.01564   0.00001  -0.00023   0.00012  -0.00011   0.01552
   D226      -3.11785   0.00001  -0.00022   0.00015  -0.00007  -3.11792
   D227       0.00903   0.00000  -0.00023   0.00019  -0.00003   0.00899
   D228      -3.13967  -0.00003  -0.00031   0.00006  -0.00025  -3.13991
   D229      -3.12785   0.00004  -0.00077   0.00039  -0.00039  -3.12823
   D230       0.00665   0.00000  -0.00086   0.00026  -0.00060   0.00605
   D231      -0.00905  -0.00003   0.00042  -0.00021   0.00021  -0.00884
   D232       3.12511  -0.00005   0.00122  -0.00053   0.00069   3.12580
   D233       3.13962   0.00000   0.00050  -0.00008   0.00042   3.14004
   D234      -0.00941  -0.00002   0.00130  -0.00040   0.00090  -0.00850
   D235      -0.00712   0.00003   0.00021  -0.00006   0.00015  -0.00697
   D236       3.12490  -0.00006   0.00087  -0.00072   0.00014   3.12504
   D237      -3.14131   0.00005  -0.00058   0.00025  -0.00033   3.14155
   D238      -0.00929  -0.00004   0.00007  -0.00041  -0.00034  -0.00962
   D239      -0.00544   0.00000   0.00005  -0.00008  -0.00003  -0.00548
   D240      -3.14138  -0.00001   0.00014  -0.00013   0.00001  -3.14137
   D241       3.12478   0.00001  -0.00043   0.00020  -0.00023   3.12455
   D242      -0.01116  -0.00000  -0.00033   0.00015  -0.00019  -0.01135
   D243      -0.00833  -0.00000   0.00024  -0.00002   0.00022  -0.00811
   D244       3.14090  -0.00001  -0.00002  -0.00006  -0.00007   3.14083
   D245       3.12758   0.00001   0.00015   0.00003   0.00017   3.12776
   D246      -0.00637  -0.00000  -0.00011  -0.00001  -0.00012  -0.00649
   D247       0.00790  -0.00000  -0.00015  -0.00001  -0.00016   0.00774
   D248      -3.12754  -0.00000  -0.00007   0.00006  -0.00001  -3.12755
   D249      -3.14135   0.00001   0.00011   0.00003   0.00014  -3.14121
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   D251      -0.00871  -0.00001   0.00031   0.00001   0.00032  -0.00840
   D252       3.13711  -0.00002  -0.00035   0.00016  -0.00019   3.13692
   D253       3.12990  -0.00000   0.00058  -0.00029   0.00029   3.13019
   D254      -0.00745  -0.00002  -0.00008  -0.00014  -0.00022  -0.00768
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   D257      -3.13884   0.00001   0.00053  -0.00002   0.00051  -3.13834
   D258       0.00074  -0.00000   0.00113  -0.00019   0.00094   0.00168
   D259       0.00725   0.00002  -0.00014   0.00002  -0.00012   0.00713
   D260      -3.12720   0.00001  -0.00051   0.00018  -0.00033  -3.12754
   D261      -3.13235   0.00004  -0.00073   0.00019  -0.00055  -3.13290
   D262       0.01638   0.00002  -0.00111   0.00035  -0.00076   0.01562
   D263       0.00581   0.00000  -0.00026   0.00008  -0.00018   0.00563
   D264      -3.14069   0.00000  -0.00012   0.00008  -0.00005  -3.14073
   D265      -3.12492   0.00000  -0.00089   0.00024  -0.00065  -3.12557
   D266       0.01176   0.00000  -0.00075   0.00024  -0.00051   0.01125
   D267       0.00886   0.00001  -0.00037   0.00019  -0.00018   0.00868
   D268      -3.13921  -0.00001   0.00047  -0.00022   0.00025  -3.13896
   D269      -3.12780   0.00000  -0.00051   0.00019  -0.00032  -3.12813
   D270       0.00731  -0.00001   0.00033  -0.00022   0.00011   0.00742
   D271      -0.00825  -0.00000   0.00061  -0.00023   0.00038  -0.00787
   D272       3.12694  -0.00001   0.00037  -0.00010   0.00027   3.12721
   D273       3.13984   0.00001  -0.00023   0.00018  -0.00006   3.13978
   D274      -0.00816   0.00001  -0.00048   0.00031  -0.00017  -0.00832
   D275       0.00570   0.00001  -0.00051   0.00022  -0.00029   0.00540
   D276      -3.14077  -0.00000   0.00007  -0.00005   0.00002  -3.14075
   D277      -3.13057   0.00001  -0.00009   0.00005  -0.00004  -3.13062
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   D279      -0.00661  -0.00000   0.00003  -0.00007  -0.00005  -0.00665
   D280       3.13145  -0.00002   0.00004  -0.00016  -0.00012   3.13132
   D281       3.13985   0.00001  -0.00055   0.00019  -0.00036   3.13949
   D282      -0.00529  -0.00000  -0.00054   0.00011  -0.00043  -0.00572
   D283      -0.00405  -0.00001   0.00034  -0.00009   0.00025  -0.00380
   D284       3.12946  -0.00001   0.00033  -0.00012   0.00021   3.12967
   D285       3.14108   0.00001   0.00033  -0.00001   0.00032   3.14140
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   D288       3.13964  -0.00000   0.00014   0.00002   0.00016   3.13980
   D289       3.13520  -0.00000   0.00026  -0.00012   0.00015   3.13535
   D290      -0.00505  -0.00000   0.00029  -0.00009   0.00020  -0.00485
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   D297      -3.13995   0.00000   0.00009  -0.00003   0.00006  -3.13989
   D298       0.00538   0.00001   0.00027   0.00003   0.00030   0.00567
   D299       1.81285   0.00282   0.01852  -0.00410   0.01441   1.82725
   D300      -0.44623   0.00102   0.01987  -0.00406   0.01582  -0.43041
   D301      -2.68170   0.00139   0.01590  -0.00343   0.01246  -2.66924
   D302      -3.11461   0.00029  -0.02401  -0.00146  -0.02548  -3.14009
   D303      -0.93995  -0.00017  -0.02364  -0.00129  -0.02492  -0.96487
   D304       1.29310  -0.00086  -0.02000  -0.00299  -0.02299   1.27011
   D305      -2.36225   0.00036  -0.00659   0.00478  -0.00181  -2.36406
   D306      -0.23166   0.00075  -0.00753   0.00565  -0.00187  -0.23353
   D307       1.81841   0.00063  -0.00747   0.00560  -0.00187   1.81654
   D308       1.70388  -0.00025  -0.06876  -0.00482  -0.07358   1.63030
   D309      -2.47084  -0.00016  -0.06931  -0.00446  -0.07379  -2.54463
   D310      -0.44458  -0.00060  -0.07367  -0.00596  -0.07961  -0.52420
   D311      -3.06785   0.00130  -0.00211   0.00070  -0.00140  -3.06925
   D312      -0.97957   0.00130  -0.00182   0.00062  -0.00120  -0.98078
   D313       1.13438   0.00130  -0.00262   0.00087  -0.00175   1.13263
   D314       1.10825  -0.00124  -0.00032  -0.00110  -0.00142   1.10684
   D315      -3.08665  -0.00124  -0.00004  -0.00118  -0.00122  -3.08787
   D316      -0.97270  -0.00124  -0.00083  -0.00093  -0.00177  -0.97447
   D317      -1.02761  -0.00011  -0.00032  -0.00092  -0.00124  -1.02884
   D318       1.06067  -0.00011  -0.00003  -0.00101  -0.00104   1.05963
   D319      -3.10856  -0.00011  -0.00083  -0.00076  -0.00159  -3.11015
   D320      -0.84947  -0.00138  -0.00512  -0.00335  -0.00847  -0.85793
   D321       1.24972  -0.00085  -0.00629  -0.00265  -0.00893   1.24079
   D322      -2.86893  -0.00114  -0.00616  -0.00272  -0.00888  -2.87781
   D323       3.08277  -0.00004  -0.00483   0.00293  -0.00191   3.08086
   D324      -1.11443   0.00011  -0.00342   0.00403   0.00060  -1.11383
   D325       0.99663   0.00005  -0.00315   0.00334   0.00018   0.99681
   D326       1.04865  -0.00011  -0.00337   0.00267  -0.00070   1.04795
   D327       3.13464   0.00004  -0.00197   0.00378   0.00181   3.13645
   D328      -1.03748  -0.00003  -0.00170   0.00309   0.00139  -1.03609
   D329      -1.06824  -0.00002  -0.00252   0.00310   0.00060  -1.06764
   D330       1.01775   0.00013  -0.00111   0.00421   0.00311   1.02086
   D331       3.12881   0.00006  -0.00084   0.00352   0.00269   3.13150
         Item               Value     Threshold  Converged?
 Maximum Force            0.005067     0.000450     NO 
 RMS     Force            0.000402     0.000300     NO 
 Maximum Displacement     0.329146     0.001800     NO 
 RMS     Displacement     0.026080     0.001200     NO 
 Predicted change in Energy=-4.890880D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.587826    3.250758    0.113466
      2          6           0       -2.751596    1.871006    0.251697
      3          6           0       -1.649455    1.007856    0.200330
      4          6           0       -0.357322    1.559196    0.074463
      5          6           0       -0.201138    2.943168   -0.081311
      6          6           0       -1.303291    3.785425   -0.076522
      7          6           0       -1.787056   -0.459434    0.162497
      8          6           0       -0.660258   -1.286351    0.397589
      9          6           0        0.626148   -0.648209    0.815301
     10          6           0        0.826215    0.687040    0.154017
     11          6           0       -2.993714   -1.047532   -0.236528
     12          6           0       -3.096219   -2.422219   -0.453548
     13          6           0       -1.956880   -3.222455   -0.309192
     14          6           0       -0.761347   -2.653831    0.107236
     15          7           0        1.780567   -1.471377    0.900663
     16          6           0        3.031987   -0.969744    0.426596
     17          6           0        3.081863    0.324097   -0.140038
     18          7           0        1.963571    1.132922   -0.255231
     19          6           0        4.215936   -1.724354    0.442204
     20          6           0        5.406441   -1.198028   -0.045026
     21          6           0        5.455626    0.089697   -0.598315
     22          6           0        4.284659    0.835161   -0.650422
     23          7           0       -3.716960    4.105388    0.156019
     24          7           0       -4.325217   -2.992450   -0.864060
     25          7           0        6.676444    0.616145   -1.094649
     26          6           0       -4.972023   -4.069231   -0.240540
     27          6           0       -6.187382   -4.330787   -0.921590
     28          6           0       -6.278771   -3.373051   -2.004710
     29          6           0       -5.116713   -2.563256   -1.939002
     30          6           0       -3.859572    5.236021    0.973522
     31          6           0       -5.128251    5.820332    0.731269
     32          6           0       -5.781119    5.009142   -0.275608
     33          6           0       -4.885391    3.960651   -0.605335
     34          6           0        7.275215    1.815637   -0.691596
     35          6           0        8.482641    1.992731   -1.414600
     36          6           0        8.615693    0.851190   -2.296076
     37          6           0        7.485319    0.024168   -2.072117
     38          6           0       -7.220065   -3.148278   -3.015770
     39          6           0       -6.991184   -2.136062   -3.943280
     40          6           0       -5.825487   -1.354784   -3.875008
     41          6           0       -4.872221   -1.557975   -2.878890
     42          6           0       -4.591262   -4.799665    0.888107
     43          6           0       -5.440002   -5.819191    1.314307
     44          6           0       -6.640538   -6.103414    0.641792
     45          6           0       -7.021360   -5.360979   -0.472096
     46          6           0       -7.021459    5.085305   -0.919343
     47          6           0       -7.349275    4.129839   -1.876723
     48          6           0       -6.444239    3.105980   -2.202629
     49          6           0       -5.202597    3.008607   -1.578128
     50          6           0       -2.983513    5.757502    1.929244
     51          6           0       -3.387662    6.894458    2.625693
     52          6           0       -4.634134    7.497042    2.385637
     53          6           0       -5.509159    6.962656    1.444616
     54          6           0        9.571324    0.468767   -3.244611
     55          6           0        9.387318   -0.714206   -3.954369
     56          6           0        8.254170   -1.514295   -3.729114
     57          6           0        7.288308   -1.158232   -2.790261
     58          6           0        6.856660    2.736048    0.272980
     59          6           0        7.660716    3.852046    0.494544
     60          6           0        8.854244    4.049485   -0.220657
     61          6           0        9.270940    3.123907   -1.172721
     62          8           0        0.483993   -3.057386    2.737119
     63         15           0        1.775863   -2.787276    2.079976
     64          8           0        3.012121   -2.474479    3.048281
     65          8           0        2.363762   -3.952615    1.138225
     66          6           0        2.825077   -1.939954    4.397423
     67          6           0        3.825754   -0.823313    4.618259
     68          6           0        2.547800   -5.289593    1.696102
     69          6           0        1.329238   -6.155351    1.433674
     70          1           0       -3.747890    1.480673    0.418687
     71          1           0        0.800124    3.339949   -0.201932
     72          1           0       -1.182774    4.854391   -0.211844
     73          1           0       -3.863872   -0.429018   -0.416573
     74          1           0       -2.006848   -4.278347   -0.549609
     75          1           0        0.113050   -3.286155    0.149644
     76          1           0        4.225497   -2.725836    0.840808
     77          1           0        6.311921   -1.793052    0.003126
     78          1           0        4.266194    1.824460   -1.092469
     79          1           0       -8.115711   -3.759663   -3.077097
     80          1           0       -7.714970   -1.951416   -4.731020
     81          1           0       -5.657195   -0.579322   -4.616278
     82          1           0       -3.968568   -0.959678   -2.843982
     83          1           0       -3.674388   -4.576920    1.422393
     84          1           0       -5.166474   -6.401308    2.189232
     85          1           0       -7.278540   -6.905336    1.000086
     86          1           0       -7.956018   -5.573422   -0.983097
     87          1           0       -7.717509    5.882659   -0.675616
     88          1           0       -8.310212    4.176228   -2.379446
     89          1           0       -6.713724    2.371412   -2.955542
     90          1           0       -4.507158    2.221775   -1.847121
     91          1           0       -2.026063    5.291221    2.132026
     92          1           0       -2.723937    7.319081    3.372991
     93          1           0       -4.917194    8.383782    2.944249
     94          1           0       -6.478034    7.421310    1.269158
     95          1           0       10.442714    1.091067   -3.427349
     96          1           0       10.122014   -1.021643   -4.692028
     97          1           0        8.123757   -2.428949   -4.299875
     98          1           0        6.411085   -1.775428   -2.630044
     99          1           0        5.939990    2.588116    0.833193
    100          1           0        7.356186    4.582832    1.237878
    101          1           0        9.456206    4.931589   -0.025248
    102          1           0       10.197598    3.274371   -1.719020
    103          1           0        1.798203   -1.587538    4.509147
    104          1           0        2.990157   -2.776323    5.082949
    105          1           0        3.746824   -0.463631    5.649459
    106          1           0        4.848791   -1.171492    4.451452
    107          1           0        3.622674    0.013470    3.945568
    108          1           0        3.438815   -5.678968    1.197288
    109          1           0        2.762889   -5.213458    2.765966
    110          1           0        1.509854   -7.170016    1.803676
    111          1           0        0.454737   -5.747917    1.946824
    112          1           0        1.120892   -6.213645    0.361767
    113         17           0        0.320134    0.119047    2.762262
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351276           0.0181224           0.0142970
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10690.9205787408 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000890   -0.000100    0.000162 Ang=  -0.10 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48624265     A.U. after   11 cycles
            NFock= 11  Conv=0.44D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000589851    0.000358742   -0.000006285
      2        6           0.000388282   -0.000313959   -0.000569117
      3        6           0.000050840    0.000910993   -0.000099500
      4        6           0.000382659   -0.000658123    0.000753417
      5        6          -0.000357907    0.000026042   -0.000059572
      6        6           0.000269943   -0.000154944    0.000130060
      7        6          -0.000125508   -0.000570145    0.000091899
      8        6          -0.001101166   -0.001281139   -0.001303426
      9        6           0.000395924    0.001653637    0.001397450
     10        6          -0.000361550    0.000886341   -0.000782854
     11        6           0.000153586    0.000244656    0.000133097
     12        6           0.000178769   -0.000305883   -0.000200134
     13        6          -0.000408221   -0.000070739    0.000205155
     14        6           0.000008927    0.000386214    0.000079129
     15        7           0.001767844   -0.001001871   -0.000897981
     16        6          -0.000350561   -0.000832700   -0.000183337
     17        6          -0.001565331    0.000943980   -0.000005102
     18        7           0.000803402   -0.001021965   -0.000162458
     19        6           0.000624918    0.000538669    0.000320097
     20        6          -0.000469731   -0.000210950   -0.000163364
     21        6           0.000520129    0.000477469   -0.000100735
     22        6           0.000791630   -0.000104214    0.000005069
     23        7           0.000693191   -0.000378654    0.000100906
     24        7           0.000009966    0.000553314    0.000140960
     25        7          -0.000586900   -0.000499381   -0.000177916
     26        6          -0.000038246   -0.000205439   -0.000263395
     27        6           0.000086361   -0.000014059   -0.000045674
     28        6           0.000078147   -0.000094674   -0.000022874
     29        6          -0.000004725   -0.000065834    0.000040989
     30        6          -0.000024942    0.000200201   -0.000252162
     31        6           0.000127720    0.000129057   -0.000094810
     32        6           0.000086267   -0.000154575    0.000059263
     33        6          -0.000459002   -0.000196977    0.000189331
     34        6           0.000188278    0.000453524   -0.000017909
     35        6          -0.000213221   -0.000066285   -0.000016079
     36        6           0.000093690   -0.000139305    0.000091611
     37        6           0.000179745    0.000086837    0.000315942
     38        6           0.000061171    0.000160069    0.000069261
     39        6          -0.000005874   -0.000021928    0.000057170
     40        6          -0.000026677   -0.000223524    0.000164107
     41        6          -0.000113582    0.000176049    0.000125152
     42        6          -0.000107166    0.000021675    0.000072901
     43        6          -0.000030877    0.000123436   -0.000067295
     44        6          -0.000020653    0.000064804   -0.000035460
     45        6           0.000064055   -0.000028117    0.000117098
     46        6           0.000056025   -0.000020459   -0.000051367
     47        6           0.000131033    0.000029716    0.000035074
     48        6           0.000006409    0.000125210    0.000034286
     49        6          -0.000106096    0.000143667   -0.000058552
     50        6          -0.000138225    0.000018413    0.000063891
     51        6          -0.000191864    0.000045372    0.000008707
     52        6           0.000070072   -0.000041983   -0.000079690
     53        6           0.000071558   -0.000088592    0.000053821
     54        6          -0.000087278    0.000033101   -0.000063636
     55        6          -0.000095694   -0.000078372    0.000085248
     56        6           0.000045031    0.000097913    0.000044841
     57        6          -0.000006021    0.000006845   -0.000115689
     58        6           0.000060601    0.000062263    0.000008930
     59        6           0.000039434   -0.000099274   -0.000099847
     60        6          -0.000000900    0.000015862   -0.000019740
     61        6          -0.000116834   -0.000077726    0.000140490
     62        8           0.000052599    0.000138455   -0.000232823
     63       15           0.000282663    0.000896360   -0.000218911
     64        8           0.000182837   -0.001322174   -0.000810985
     65        8          -0.000021894    0.000369747   -0.000150488
     66        6          -0.000461762    0.001276073    0.001440988
     67        6          -0.000120182   -0.000195745   -0.000023868
     68        6          -0.000457432   -0.000222925   -0.000233594
     69        6          -0.000096395   -0.000074955    0.000555979
     70        1          -0.000086271    0.000051794    0.000136063
     71        1           0.000006312   -0.000062115    0.000019738
     72        1           0.000090676    0.000022823   -0.000058127
     73        1          -0.000109784   -0.000124392    0.000143386
     74        1           0.000098524    0.000025529   -0.000071220
     75        1           0.000103215    0.000012041   -0.000025387
     76        1          -0.000197499   -0.000244619    0.000095076
     77        1          -0.000030927   -0.000047642    0.000119580
     78        1          -0.000320442   -0.000087529   -0.000003065
     79        1           0.000027001   -0.000047258   -0.000024311
     80        1           0.000013900    0.000001120    0.000022187
     81        1           0.000044053    0.000062429   -0.000117652
     82        1           0.000030872   -0.000114683   -0.000097911
     83        1           0.000004275   -0.000049352   -0.000007651
     84        1          -0.000011314   -0.000037445    0.000011175
     85        1           0.000005691    0.000002144   -0.000011391
     86        1           0.000014067    0.000009384   -0.000028580
     87        1          -0.000045563    0.000044854    0.000034704
     88        1          -0.000033735   -0.000016924   -0.000016257
     89        1          -0.000010142   -0.000068953    0.000020253
     90        1          -0.000026312   -0.000000012   -0.000032355
     91        1          -0.000009234    0.000026509    0.000047985
     92        1           0.000015572   -0.000013336   -0.000019877
     93        1          -0.000009233   -0.000022413    0.000024856
     94        1           0.000009608    0.000023639   -0.000003537
     95        1           0.000006440   -0.000003834    0.000021784
     96        1           0.000013442    0.000027051   -0.000021240
     97        1           0.000016373   -0.000017871   -0.000039088
     98        1           0.000020968    0.000015235   -0.000011911
     99        1           0.000052832    0.000017686   -0.000031563
    100        1          -0.000011132    0.000007620    0.000009936
    101        1          -0.000019095   -0.000036635   -0.000007428
    102        1           0.000043116   -0.000005823   -0.000041184
    103        1          -0.000015988   -0.000562457   -0.000267563
    104        1           0.000102993   -0.000006453   -0.000137628
    105        1          -0.000022190    0.000000920   -0.000085503
    106        1           0.000107146   -0.000026324    0.000016490
    107        1          -0.000013641    0.000043520    0.000002263
    108        1          -0.000172920    0.000027610    0.000016251
    109        1           0.000399719    0.000216865    0.000252145
    110        1           0.000147885   -0.000024728   -0.000041005
    111        1          -0.000030354    0.000037321   -0.000325225
    112        1          -0.000052770   -0.000024643   -0.000086730
    113       17          -0.000287574    0.000152229    0.001173823
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001767844 RMS     0.000354035

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005054593 RMS     0.000403830
 Search for a local minimum.
 Step number  31 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   27   28   29   30   31
 DE= -7.39D-05 DEPred=-4.89D-05 R= 1.51D+00
 TightC=F SS=  1.41D+00  RLast= 1.48D-01 DXNew= 2.1488D+00 4.4376D-01
 Trust test= 1.51D+00 RLast= 1.48D-01 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1
 ITU=  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00171   0.00408   0.00468   0.00810   0.00968
     Eigenvalues ---    0.01295   0.01471   0.01764   0.02195   0.02447
     Eigenvalues ---    0.02486   0.02541   0.02554   0.02585   0.02602
     Eigenvalues ---    0.02636   0.02639   0.02670   0.02684   0.02693
     Eigenvalues ---    0.02699   0.02705   0.02714   0.02720   0.02748
     Eigenvalues ---    0.02761   0.02771   0.02779   0.02795   0.02802
     Eigenvalues ---    0.02806   0.02811   0.02813   0.02820   0.02828
     Eigenvalues ---    0.02834   0.02851   0.02863   0.02872   0.02875
     Eigenvalues ---    0.02876   0.02887   0.02893   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02909   0.02916   0.02917   0.02919
     Eigenvalues ---    0.02928   0.02937   0.02945   0.02945   0.02949
     Eigenvalues ---    0.02951   0.02952   0.02955   0.02959   0.02963
     Eigenvalues ---    0.02965   0.02965   0.02971   0.02976   0.02989
     Eigenvalues ---    0.02990   0.02992   0.02999   0.03001   0.03005
     Eigenvalues ---    0.03020   0.03029   0.03040   0.03045   0.03059
     Eigenvalues ---    0.03061   0.03067   0.03083   0.03091   0.03095
     Eigenvalues ---    0.03103   0.03120   0.03129   0.03136   0.03142
     Eigenvalues ---    0.03166   0.03175   0.03176   0.03197   0.03226
     Eigenvalues ---    0.03241   0.03250   0.03274   0.03305   0.03371
     Eigenvalues ---    0.03437   0.03561   0.03921   0.05123   0.05403
     Eigenvalues ---    0.05622   0.05763   0.05787   0.05901   0.05943
     Eigenvalues ---    0.06146   0.06650   0.07098   0.08319   0.11572
     Eigenvalues ---    0.11821   0.12145   0.13454   0.13739   0.14208
     Eigenvalues ---    0.15323   0.15908   0.15949   0.15979   0.15992
     Eigenvalues ---    0.15993   0.15994   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16004   0.16006   0.16014   0.16020   0.16045
     Eigenvalues ---    0.16052   0.16103   0.16162   0.16355   0.18394
     Eigenvalues ---    0.19786   0.21050   0.21172   0.21646   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22001   0.22006   0.22222
     Eigenvalues ---    0.22412   0.22468   0.22510   0.22585   0.22599
     Eigenvalues ---    0.22608   0.22618   0.22659   0.22693   0.22847
     Eigenvalues ---    0.23387   0.23466   0.23551   0.23761   0.24131
     Eigenvalues ---    0.24361   0.24477   0.24490   0.24525   0.24532
     Eigenvalues ---    0.24551   0.24648   0.24748   0.24774   0.24889
     Eigenvalues ---    0.24918   0.24975   0.24978   0.24983   0.24989
     Eigenvalues ---    0.24991   0.24994   0.25014   0.25044   0.25181
     Eigenvalues ---    0.25442   0.25898   0.26266   0.26578   0.27166
     Eigenvalues ---    0.27458   0.28070   0.28741   0.28838   0.29010
     Eigenvalues ---    0.29273   0.29333   0.29656   0.29851   0.30240
     Eigenvalues ---    0.30494   0.30654   0.30722   0.30847   0.30952
     Eigenvalues ---    0.31134   0.31182   0.31273   0.31381   0.31479
     Eigenvalues ---    0.31591   0.31691   0.32136   0.32233   0.32565
     Eigenvalues ---    0.33141   0.33326   0.33608   0.33964   0.34045
     Eigenvalues ---    0.34238   0.34497   0.34669   0.34937   0.35120
     Eigenvalues ---    0.35156   0.35492   0.35566   0.36215   0.36394
     Eigenvalues ---    0.36697   0.36781   0.37186   0.37309   0.39045
     Eigenvalues ---    0.40024   0.41529   0.41649   0.42057   0.42743
     Eigenvalues ---    0.43430   0.43578   0.43809   0.45309   0.46098
     Eigenvalues ---    0.47090   0.47120   0.47165   0.47323   0.47722
     Eigenvalues ---    0.47926   0.49650   0.50015   0.50110   0.50472
     Eigenvalues ---    0.50615   0.51097   0.51673   0.52051   0.52084
     Eigenvalues ---    0.52254   0.52656   0.53079   0.53155   0.53379
     Eigenvalues ---    0.53745   0.54215   0.54348   0.54447   0.55032
     Eigenvalues ---    0.55327   0.55621   0.55686   0.55814   0.56074
     Eigenvalues ---    0.56179   0.56262   0.56463   0.56627   0.56726
     Eigenvalues ---    0.56931   0.57179   0.57370   0.57930   0.58232
     Eigenvalues ---    0.58286   0.58304   0.58351   0.58516   0.58686
     Eigenvalues ---    0.58932   0.59032   0.59429   0.59712   0.59809
     Eigenvalues ---    0.60060   0.60668   0.60889   0.61422   0.62013
     Eigenvalues ---    0.63259   0.63615   0.64250   0.65192   0.65875
     Eigenvalues ---    0.66077   0.66781   0.67821   0.68893   0.72103
     Eigenvalues ---    0.73183   0.74587   0.79851   0.80453   0.82124
     Eigenvalues ---    0.85562   1.05104   5.58536
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    31   30   29   28   27   26   25   24
 RFO step:  Lambda=-1.29343780D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.80393   -2.00000    1.13477    0.39928   -0.24762
                  RFO-DIIS coefs:   -0.00630    0.00140   -0.08547
 Iteration  1 RMS(Cart)=  0.02477240 RMS(Int)=  0.00032905
 Iteration  2 RMS(Cart)=  0.00057028 RMS(Int)=  0.00000505
 Iteration  3 RMS(Cart)=  0.00000042 RMS(Int)=  0.00000505
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63862   0.00008   0.00025   0.00004   0.00029   2.63890
    R2        2.65370   0.00010   0.00029  -0.00015   0.00014   2.65384
    R3        2.67725  -0.00028  -0.00052  -0.00013  -0.00065   2.67660
    R4        2.64722  -0.00021  -0.00033  -0.00012  -0.00045   2.64678
    R5        2.04654   0.00007   0.00003   0.00007   0.00010   2.04664
    R6        2.66540  -0.00015  -0.00036   0.00031  -0.00005   2.66535
    R7        2.78586   0.00045   0.00040   0.00061   0.00100   2.78686
    R8        2.64834  -0.00011   0.00002  -0.00012  -0.00011   2.64823
    R9        2.78229  -0.00040  -0.00074  -0.00001  -0.00074   2.78155
   R10        2.62132  -0.00020  -0.00024   0.00002  -0.00022   2.62110
   R11        2.04799  -0.00003   0.00006  -0.00011  -0.00004   2.04795
   R12        2.04887   0.00002   0.00005  -0.00003   0.00002   2.04890
   R13        2.67831  -0.00017  -0.00014   0.00008  -0.00006   2.67824
   R14        2.64636  -0.00020  -0.00033  -0.00002  -0.00035   2.64601
   R15        2.82610   0.00149   0.00146   0.00021   0.00168   2.82778
   R16        2.64867  -0.00036  -0.00033  -0.00008  -0.00041   2.64826
   R17        2.84102   0.00007  -0.00083  -0.00017  -0.00100   2.84002
   R18        2.68419   0.00086   0.00094  -0.00058   0.00037   2.68457
   R19        2.43465  -0.00020   0.00011   0.00019   0.00029   2.43494
   R20        2.63708   0.00004   0.00016   0.00006   0.00022   2.63730
   R21        2.04593   0.00003   0.00000  -0.00003  -0.00003   2.04590
   R22        2.64515  -0.00018  -0.00004  -0.00027  -0.00031   2.64484
   R23        2.67523  -0.00023  -0.00022  -0.00012  -0.00034   2.67489
   R24        2.62260   0.00010   0.00010   0.00009   0.00019   2.62279
   R25        2.04859   0.00000   0.00003  -0.00002   0.00001   2.04860
   R26        2.04073   0.00009   0.00022  -0.00002   0.00020   2.04093
   R27        2.70067  -0.00064  -0.00112  -0.00027  -0.00138   2.69929
   R28        3.33920  -0.00011  -0.00089   0.00047  -0.00043   3.33877
   R29        2.67086   0.00040   0.00039   0.00040   0.00079   2.67165
   R30        2.65331  -0.00010  -0.00005   0.00042   0.00037   2.65368
   R31        2.61715  -0.00091  -0.00097  -0.00075  -0.00172   2.61543
   R32        2.65128   0.00036   0.00041   0.00050   0.00091   2.65219
   R33        2.62646  -0.00032  -0.00035  -0.00043  -0.00078   2.62568
   R34        2.03700   0.00023   0.00017   0.00015   0.00032   2.03733
   R35        2.65019   0.00017   0.00024   0.00050   0.00075   2.65094
   R36        2.04952  -0.00001  -0.00002   0.00000  -0.00002   2.04950
   R37        2.62502  -0.00001   0.00002  -0.00033  -0.00031   2.62471
   R38        2.68174  -0.00042  -0.00060  -0.00045  -0.00105   2.68069
   R39        2.04794  -0.00003   0.00001  -0.00008  -0.00008   2.04786
   R40        2.65032   0.00020   0.00045  -0.00017   0.00028   2.65060
   R41        2.64955   0.00040   0.00068   0.00001   0.00068   2.65024
   R42        2.65006   0.00012   0.00016   0.00007   0.00023   2.65030
   R43        2.64978  -0.00010   0.00004  -0.00012  -0.00008   2.64970
   R44        2.64546   0.00034   0.00060   0.00022   0.00082   2.64627
   R45        2.64572  -0.00006   0.00011   0.00004   0.00014   2.64587
   R46        2.67871  -0.00015  -0.00016  -0.00004  -0.00020   2.67850
   R47        2.64045   0.00000   0.00006  -0.00003   0.00003   2.64049
   R48        2.73767  -0.00018  -0.00014  -0.00013  -0.00027   2.73740
   R49        2.64485  -0.00006  -0.00001  -0.00001  -0.00003   2.64482
   R50        2.67946  -0.00006  -0.00005   0.00001  -0.00004   2.67942
   R51        2.64481  -0.00013  -0.00010  -0.00001  -0.00012   2.64469
   R52        2.64140  -0.00005   0.00002  -0.00003  -0.00001   2.64140
   R53        2.67892  -0.00010  -0.00011  -0.00005  -0.00016   2.67876
   R54        2.64077   0.00003   0.00012  -0.00008   0.00004   2.64081
   R55        2.73721  -0.00018  -0.00018  -0.00015  -0.00033   2.73688
   R56        2.64485  -0.00007  -0.00010   0.00001  -0.00009   2.64476
   R57        2.67940  -0.00012  -0.00021  -0.00003  -0.00024   2.67916
   R58        2.64470  -0.00005  -0.00005   0.00006   0.00001   2.64470
   R59        2.64111  -0.00001   0.00001   0.00004   0.00005   2.64116
   R60        2.68046  -0.00022  -0.00023  -0.00020  -0.00043   2.68004
   R61        2.64072  -0.00006  -0.00002  -0.00004  -0.00007   2.64065
   R62        2.73705  -0.00012  -0.00012  -0.00003  -0.00016   2.73689
   R63        2.64527  -0.00010  -0.00011   0.00006  -0.00004   2.64522
   R64        2.68039  -0.00012  -0.00015  -0.00008  -0.00023   2.68017
   R65        2.64507  -0.00007  -0.00005  -0.00005  -0.00010   2.64497
   R66        2.64063   0.00007   0.00018  -0.00009   0.00010   2.64073
   R67        2.63021  -0.00014  -0.00007  -0.00008  -0.00014   2.63007
   R68        2.05254   0.00001   0.00004  -0.00002   0.00001   2.05255
   R69        2.65498  -0.00009  -0.00007  -0.00003  -0.00010   2.65489
   R70        2.05146  -0.00003  -0.00002  -0.00000  -0.00002   2.05144
   R71        2.63361  -0.00008  -0.00004   0.00002  -0.00002   2.63359
   R72        2.05202   0.00012   0.00016   0.00009   0.00025   2.05227
   R73        2.04908  -0.00005  -0.00005  -0.00005  -0.00010   2.04898
   R74        2.63306  -0.00006  -0.00004  -0.00008  -0.00012   2.63294
   R75        2.04905  -0.00001  -0.00000   0.00007   0.00007   2.04913
   R76        2.65528  -0.00008  -0.00003   0.00000  -0.00003   2.65525
   R77        2.05205   0.00003   0.00005  -0.00001   0.00004   2.05209
   R78        2.63004  -0.00016  -0.00011  -0.00009  -0.00020   2.62983
   R79        2.05146  -0.00001  -0.00001   0.00000  -0.00000   2.05146
   R80        2.05263  -0.00000   0.00001  -0.00001  -0.00000   2.05263
   R81        2.63002  -0.00011  -0.00006  -0.00010  -0.00016   2.62986
   R82        2.05247   0.00007   0.00006   0.00013   0.00019   2.05266
   R83        2.65477  -0.00012  -0.00012   0.00003  -0.00009   2.65468
   R84        2.05127   0.00004   0.00006   0.00000   0.00006   2.05133
   R85        2.63287  -0.00007   0.00000  -0.00013  -0.00013   2.63274
   R86        2.05198   0.00003   0.00006   0.00001   0.00007   2.05204
   R87        2.04850  -0.00001   0.00002  -0.00008  -0.00006   2.04844
   R88        2.63279   0.00000   0.00003   0.00001   0.00003   2.63282
   R89        2.04863  -0.00001   0.00005  -0.00010  -0.00005   2.04858
   R90        2.65533  -0.00021  -0.00020  -0.00006  -0.00026   2.65508
   R91        2.05215  -0.00001   0.00000  -0.00002  -0.00002   2.05214
   R92        2.62988  -0.00016  -0.00013  -0.00000  -0.00013   2.62975
   R93        2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05144
   R94        2.05265  -0.00000   0.00001  -0.00001  -0.00000   2.05265
   R95        2.63007  -0.00007  -0.00006   0.00000  -0.00005   2.63002
   R96        2.05274  -0.00000   0.00000   0.00001   0.00001   2.05276
   R97        2.65566  -0.00013  -0.00013  -0.00007  -0.00020   2.65546
   R98        2.05141   0.00002   0.00004  -0.00000   0.00004   2.05144
   R99        2.63284  -0.00002  -0.00002   0.00004   0.00002   2.63286
   R100       2.05222   0.00004   0.00005   0.00001   0.00006   2.05228
   R101       2.04939  -0.00003  -0.00002  -0.00004  -0.00007   2.04932
   R102       2.63280  -0.00011  -0.00008   0.00002  -0.00007   2.63273
   R103       2.04929  -0.00006  -0.00009  -0.00005  -0.00013   2.04916
   R104       2.65572  -0.00010  -0.00009  -0.00002  -0.00011   2.65562
   R105       2.05219   0.00002   0.00003  -0.00003   0.00001   2.05219
   R106       2.62988  -0.00011  -0.00009  -0.00003  -0.00013   2.62975
   R107       2.05159  -0.00004  -0.00007   0.00002  -0.00005   2.05155
   R108       2.05257   0.00005   0.00009  -0.00002   0.00007   2.05265
   R109       2.78613  -0.00020  -0.00016  -0.00019  -0.00035   2.78578
   R110       3.02580   0.00019  -0.00049   0.00055   0.00006   3.02586
   R111       3.04154  -0.00030  -0.00029   0.00014  -0.00015   3.04139
   R112       2.76500   0.00229   0.00207   0.00190   0.00397   2.76897
   R113       2.75965   0.00003   0.00053  -0.00058  -0.00005   2.75960
   R114       2.86405  -0.00018  -0.00058  -0.00015  -0.00073   2.86331
   R115       2.06244   0.00038  -0.00058   0.00011  -0.00046   2.06198
   R116       2.06725  -0.00004  -0.00015  -0.00002  -0.00017   2.06708
   R117       2.06921  -0.00008  -0.00006  -0.00007  -0.00013   2.06907
   R118       2.06634   0.00010   0.00010   0.00020   0.00030   2.06664
   R119       2.06488   0.00004   0.00009  -0.00013  -0.00003   2.06484
   R120       2.86797   0.00006  -0.00018   0.00065   0.00047   2.86843
   R121       2.06520  -0.00016  -0.00009   0.00023   0.00014   2.06534
   R122       2.06722   0.00035   0.00017   0.00064   0.00082   2.06803
   R123       2.06929   0.00006   0.00000   0.00005   0.00005   2.06934
   R124       2.06498  -0.00014  -0.00010  -0.00041  -0.00051   2.06447
   R125       2.06646   0.00010   0.00007   0.00016   0.00024   2.06669
   R126       5.39441  -0.00036  -0.03697   0.02910  -0.00788   5.38653
    A1        2.09083  -0.00025  -0.00052  -0.00022  -0.00074   2.09009
    A2        2.09398   0.00010   0.00021  -0.00004   0.00017   2.09415
    A3        2.09835   0.00015   0.00031   0.00026   0.00057   2.09893
    A4        2.10942   0.00010   0.00024   0.00021   0.00046   2.10987
    A5        2.07068  -0.00015  -0.00029  -0.00040  -0.00069   2.06998
    A6        2.10292   0.00005   0.00001   0.00021   0.00022   2.10314
    A7        2.07508   0.00014   0.00027  -0.00003   0.00024   2.07532
    A8        2.14215  -0.00019  -0.00026   0.00011  -0.00015   2.14200
    A9        2.06266   0.00005  -0.00007  -0.00018  -0.00025   2.06241
   A10        2.09212  -0.00020  -0.00045  -0.00018  -0.00062   2.09150
   A11        2.09444   0.00034   0.00037   0.00025   0.00063   2.09507
   A12        2.09601  -0.00013   0.00015  -0.00010   0.00006   2.09608
   A13        2.10678   0.00019   0.00038   0.00011   0.00049   2.10727
   A14        2.06791  -0.00015  -0.00025  -0.00012  -0.00037   2.06753
   A15        2.10849  -0.00004  -0.00014   0.00002  -0.00012   2.10837
   A16        2.08988   0.00003   0.00001   0.00014   0.00015   2.09003
   A17        2.08742   0.00009   0.00046  -0.00008   0.00038   2.08780
   A18        2.10586  -0.00012  -0.00046  -0.00006  -0.00053   2.10534
   A19        2.09699  -0.00007  -0.00033   0.00009  -0.00025   2.09674
   A20        2.10101   0.00009   0.00047  -0.00026   0.00021   2.10122
   A21        2.07978  -0.00002  -0.00022   0.00001  -0.00021   2.07957
   A22        2.07287  -0.00025  -0.00079   0.00010  -0.00069   2.07218
   A23        2.06864   0.00014   0.00044  -0.00021   0.00023   2.06887
   A24        2.13674   0.00012   0.00052  -0.00005   0.00047   2.13721
   A25        1.95044  -0.00009  -0.00126   0.00054  -0.00074   1.94970
   A26        2.05850  -0.00028  -0.00077   0.00134   0.00054   2.05903
   A27        2.01860   0.00016   0.00018   0.00029   0.00047   2.01907
   A28        2.02963  -0.00016  -0.00075   0.00063  -0.00012   2.02951
   A29        2.07998   0.00049   0.00129  -0.00004   0.00125   2.08123
   A30        2.17072  -0.00033  -0.00036  -0.00078  -0.00112   2.16960
   A31        2.11917  -0.00005  -0.00016   0.00012  -0.00004   2.11913
   A32        2.09440   0.00014   0.00067  -0.00015   0.00052   2.09492
   A33        2.06904  -0.00009  -0.00051   0.00005  -0.00045   2.06858
   A34        2.07985   0.00005   0.00025  -0.00016   0.00009   2.07994
   A35        2.10094  -0.00015  -0.00077   0.00046  -0.00031   2.10064
   A36        2.10163   0.00010   0.00049  -0.00026   0.00023   2.10186
   A37        2.09196  -0.00008  -0.00020   0.00011  -0.00009   2.09187
   A38        2.09030   0.00013   0.00033   0.00024   0.00057   2.09087
   A39        2.10056  -0.00005  -0.00014  -0.00036  -0.00050   2.10006
   A40        2.12238  -0.00004  -0.00025   0.00010  -0.00015   2.12223
   A41        2.09988  -0.00004  -0.00044   0.00088   0.00044   2.10031
   A42        2.05939   0.00007   0.00069  -0.00095  -0.00025   2.05914
   A43        2.08096  -0.00029  -0.00008   0.00044   0.00036   2.08132
   A44        2.05954   0.00016  -0.00088   0.00027  -0.00066   2.05888
   A45        2.07729   0.00024   0.00138   0.00009   0.00143   2.07871
   A46        2.07740  -0.00004  -0.00021  -0.00067  -0.00086   2.07654
   A47        2.14842  -0.00005  -0.00029   0.00164   0.00132   2.14975
   A48        2.05635   0.00009   0.00052  -0.00079  -0.00028   2.05606
   A49        2.14062   0.00025   0.00010   0.00022   0.00033   2.14095
   A50        2.10547  -0.00032  -0.00072   0.00037  -0.00035   2.10512
   A51        2.03673   0.00008   0.00068  -0.00059   0.00007   2.03680
   A52        2.07635   0.00025   0.00044   0.00043   0.00088   2.07723
   A53        2.11163   0.00006  -0.00014   0.00030   0.00017   2.11180
   A54        2.10705  -0.00027  -0.00046  -0.00023  -0.00069   2.10636
   A55        2.06447   0.00020   0.00061  -0.00008   0.00053   2.06500
   A56        2.11305   0.00016   0.00025   0.00059   0.00083   2.11388
   A57        2.08496  -0.00018  -0.00035  -0.00056  -0.00091   2.08405
   A58        2.08518   0.00002   0.00010  -0.00002   0.00008   2.08526
   A59        2.06917  -0.00016  -0.00026  -0.00070  -0.00096   2.06821
   A60        2.10457  -0.00000   0.00011  -0.00013  -0.00002   2.10455
   A61        2.10944   0.00016   0.00014   0.00084   0.00098   2.11042
   A62        2.11011   0.00018   0.00043   0.00028   0.00072   2.11083
   A63        2.05591  -0.00041  -0.00139  -0.00072  -0.00211   2.05380
   A64        2.11713   0.00023   0.00095   0.00045   0.00140   2.11853
   A65        2.19550   0.00005   0.00005   0.00017   0.00022   2.19572
   A66        2.19641   0.00017   0.00026  -0.00002   0.00024   2.19665
   A67        1.89125  -0.00022  -0.00030  -0.00016  -0.00046   1.89080
   A68        2.19046   0.00004   0.00033  -0.00037  -0.00004   2.19043
   A69        2.20067   0.00005  -0.00010   0.00036   0.00026   2.20093
   A70        1.89181  -0.00009  -0.00014  -0.00004  -0.00018   1.89163
   A71        2.19582   0.00009   0.00009   0.00012   0.00022   2.19604
   A72        2.19486   0.00002   0.00008  -0.00001   0.00008   2.19494
   A73        1.89250  -0.00011  -0.00019  -0.00011  -0.00030   1.89220
   A74        1.90023   0.00004   0.00009  -0.00001   0.00008   1.90032
   A75        2.25862   0.00004  -0.00004   0.00011   0.00007   2.25868
   A76        2.12383  -0.00007  -0.00008  -0.00011  -0.00019   2.12364
   A77        1.86639  -0.00002  -0.00003   0.00001  -0.00002   1.86637
   A78        2.08565   0.00006   0.00010   0.00009   0.00019   2.08584
   A79        2.33109  -0.00005  -0.00007  -0.00010  -0.00018   2.33091
   A80        1.86630   0.00006   0.00009   0.00001   0.00009   1.86639
   A81        2.33050  -0.00008  -0.00012  -0.00010  -0.00022   2.33028
   A82        2.08628   0.00002   0.00004   0.00009   0.00013   2.08641
   A83        1.90004   0.00001  -0.00000   0.00003   0.00002   1.90006
   A84        2.26125   0.00002   0.00005   0.00014   0.00019   2.26144
   A85        2.12110  -0.00003  -0.00006  -0.00015  -0.00021   2.12088
   A86        1.90040   0.00006   0.00003   0.00016   0.00019   1.90060
   A87        2.25976   0.00014   0.00044  -0.00014   0.00031   2.26007
   A88        2.12245  -0.00020  -0.00053   0.00001  -0.00052   2.12193
   A89        1.86641   0.00007   0.00013  -0.00007   0.00006   1.86647
   A90        2.08619   0.00010   0.00036  -0.00003   0.00033   2.08652
   A91        2.33051  -0.00017  -0.00051   0.00012  -0.00039   2.33012
   A92        1.86611   0.00008   0.00015  -0.00001   0.00014   1.86625
   A93        2.33053  -0.00017  -0.00046  -0.00001  -0.00047   2.33006
   A94        2.08652   0.00009   0.00030   0.00003   0.00033   2.08685
   A95        1.90059   0.00001  -0.00001   0.00007   0.00007   1.90065
   A96        2.26194   0.00011   0.00030   0.00002   0.00032   2.26226
   A97        2.12023  -0.00012  -0.00033  -0.00010  -0.00043   2.11980
   A98        1.90108  -0.00006  -0.00010  -0.00000  -0.00011   1.90097
   A99        2.25878   0.00008   0.00027  -0.00011   0.00016   2.25894
   A100       2.12300  -0.00002  -0.00017   0.00010  -0.00007   2.12293
   A101       1.86503   0.00009   0.00018   0.00008   0.00026   1.86529
   A102       2.08539   0.00001   0.00012  -0.00003   0.00009   2.08548
   A103       2.33273  -0.00010  -0.00031  -0.00004  -0.00036   2.33238
   A104       1.86527   0.00002   0.00001  -0.00002  -0.00000   1.86527
   A105       2.33294  -0.00007  -0.00030   0.00013  -0.00017   2.33277
   A106       2.08494   0.00006   0.00027  -0.00010   0.00017   2.08511
   A107       1.90089   0.00005   0.00010   0.00005   0.00015   1.90104
   A108       2.25897   0.00003   0.00019  -0.00015   0.00005   2.25902
   A109       2.12302  -0.00008  -0.00034   0.00012  -0.00022   2.12280
   A110       2.08014   0.00003   0.00005   0.00001   0.00006   2.08020
   A111       2.10016  -0.00003  -0.00015   0.00008  -0.00007   2.10009
   A112       2.10288   0.00001   0.00010  -0.00009   0.00000   2.10289
   A113       2.10420  -0.00003  -0.00011  -0.00001  -0.00012   2.10408
   A114       2.09164   0.00001   0.00010  -0.00007   0.00003   2.09167
   A115       2.08732   0.00001   0.00000   0.00008   0.00009   2.08741
   A116       2.11903   0.00004   0.00012  -0.00004   0.00008   2.11911
   A117       2.08580  -0.00001  -0.00001   0.00001   0.00000   2.08580
   A118       2.07834  -0.00003  -0.00012   0.00003  -0.00008   2.07826
   A119       2.05537  -0.00003  -0.00006   0.00012   0.00006   2.05543
   A120       2.11877   0.00002   0.00000   0.00001   0.00001   2.11878
   A121       2.10901   0.00002   0.00005  -0.00014  -0.00010   2.10891
   A122       2.05284  -0.00000  -0.00003   0.00005   0.00002   2.05286
   A123       2.11888   0.00004   0.00016  -0.00007   0.00010   2.11897
   A124       2.11141  -0.00004  -0.00013   0.00002  -0.00011   2.11130
   A125       2.12005   0.00003   0.00007   0.00004   0.00011   2.12016
   A126       2.07746   0.00002   0.00012  -0.00008   0.00003   2.07749
   A127       2.08566  -0.00005  -0.00019   0.00004  -0.00014   2.08552
   A128       2.10475  -0.00003  -0.00006  -0.00005  -0.00011   2.10464
   A129       2.08701   0.00002   0.00004   0.00000   0.00004   2.08705
   A130       2.09140   0.00001   0.00002   0.00005   0.00007   2.09147
   A131       2.07905   0.00001  -0.00001  -0.00001  -0.00002   2.07903
   A132       2.10088  -0.00003  -0.00014   0.00003  -0.00011   2.10078
   A133       2.10324   0.00002   0.00014  -0.00002   0.00012   2.10336
   A134       2.08037  -0.00001  -0.00006   0.00002  -0.00005   2.08033
   A135       2.09984  -0.00000  -0.00009   0.00003  -0.00006   2.09978
   A136       2.10298   0.00002   0.00015  -0.00005   0.00010   2.10308
   A137       2.10387  -0.00002  -0.00009  -0.00004  -0.00014   2.10373
   A138       2.09182   0.00002   0.00013  -0.00002   0.00012   2.09194
   A139       2.08749  -0.00000  -0.00004   0.00006   0.00002   2.08751
   A140       2.11890   0.00002   0.00004   0.00002   0.00005   2.11896
   A141       2.08748   0.00001   0.00016  -0.00006   0.00010   2.08758
   A142       2.07680  -0.00002  -0.00019   0.00004  -0.00015   2.07665
   A143       2.05629   0.00005   0.00014   0.00007   0.00021   2.05650
   A144       2.11947   0.00001   0.00024  -0.00008   0.00016   2.11963
   A145       2.10741  -0.00006  -0.00038   0.00001  -0.00037   2.10704
   A146       2.05393   0.00007   0.00022   0.00004   0.00026   2.05418
   A147       2.11893   0.00002   0.00017  -0.00004   0.00014   2.11907
   A148       2.11028  -0.00009  -0.00040   0.00000  -0.00039   2.10989
   A149       2.11986   0.00003   0.00010  -0.00003   0.00006   2.11992
   A150       2.07807  -0.00004  -0.00030   0.00016  -0.00014   2.07792
   A151       2.08525   0.00001   0.00021  -0.00013   0.00008   2.08533
   A152       2.10436  -0.00005  -0.00020   0.00000  -0.00019   2.10417
   A153       2.08712   0.00002   0.00008   0.00006   0.00014   2.08726
   A154       2.09169   0.00003   0.00011  -0.00006   0.00005   2.09174
   A155       2.07936   0.00005   0.00004   0.00002   0.00006   2.07941
   A156       2.10025  -0.00001  -0.00004   0.00007   0.00003   2.10028
   A157       2.10356  -0.00004  -0.00000  -0.00009  -0.00009   2.10347
   A158       2.08008   0.00001  -0.00004   0.00003  -0.00000   2.08007
   A159       2.10037  -0.00002  -0.00011   0.00010  -0.00000   2.10036
   A160       2.10273   0.00001   0.00014  -0.00013   0.00001   2.10274
   A161       2.10456   0.00000  -0.00007   0.00004  -0.00003   2.10453
   A162       2.09183  -0.00003  -0.00006  -0.00004  -0.00010   2.09172
   A163       2.08679   0.00002   0.00013   0.00000   0.00013   2.08692
   A164       2.11940  -0.00000   0.00005  -0.00006  -0.00002   2.11939
   A165       2.08529  -0.00003  -0.00011   0.00006  -0.00005   2.08524
   A166       2.07848   0.00003   0.00007   0.00000   0.00007   2.07855
   A167       2.05424   0.00002   0.00012  -0.00003   0.00009   2.05433
   A168       2.11727  -0.00000   0.00009  -0.00005   0.00003   2.11731
   A169       2.11165  -0.00002  -0.00021   0.00008  -0.00013   2.11152
   A170       2.05388   0.00001   0.00006  -0.00002   0.00004   2.05392
   A171       2.11755  -0.00001   0.00010  -0.00001   0.00009   2.11764
   A172       2.11175  -0.00001  -0.00016   0.00004  -0.00012   2.11163
   A173       2.11969   0.00001   0.00009  -0.00007   0.00002   2.11970
   A174       2.07836  -0.00001  -0.00013   0.00011  -0.00002   2.07834
   A175       2.08514   0.00000   0.00004  -0.00004   0.00000   2.08514
   A176       2.10483  -0.00006  -0.00018   0.00007  -0.00011   2.10471
   A177       2.08684   0.00003   0.00009  -0.00006   0.00003   2.08687
   A178       2.09151   0.00003   0.00009  -0.00001   0.00008   2.09159
   A179       2.07949   0.00004   0.00008  -0.00004   0.00003   2.07953
   A180       2.10073  -0.00005  -0.00020   0.00009  -0.00010   2.10063
   A181       2.10296   0.00000   0.00012  -0.00005   0.00007   2.10303
   A182       2.02221   0.00040  -0.00245  -0.00101  -0.00345   2.01875
   A183       1.82975   0.00192   0.00373  -0.00113   0.00261   1.83236
   A184       1.71904  -0.00163   0.00090  -0.00248  -0.00157   1.71747
   A185       2.02948  -0.00048  -0.00085   0.00011  -0.00074   2.02875
   A186       2.03555   0.00003  -0.00051   0.00352   0.00301   2.03856
   A187       1.78572  -0.00030  -0.00009   0.00050   0.00044   1.78615
   A188       2.12973   0.00435  -0.00201  -0.00353  -0.00553   2.12419
   A189       2.07759  -0.00096  -0.00171   0.00243   0.00072   2.07831
   A190       1.89558  -0.00061   0.00080  -0.00060   0.00020   1.89578
   A191       1.90989   0.00252  -0.00264  -0.00116  -0.00380   1.90608
   A192       1.85378  -0.00105  -0.00101  -0.00059  -0.00161   1.85218
   A193       1.94808  -0.00048   0.00122   0.00119   0.00240   1.95049
   A194       1.95234   0.00056   0.00032   0.00056   0.00088   1.95321
   A195       1.90150  -0.00088   0.00111   0.00046   0.00157   1.90306
   A196       1.90884  -0.00001  -0.00056   0.00049  -0.00006   1.90878
   A197       1.94003   0.00001   0.00036  -0.00035   0.00001   1.94005
   A198       1.93030   0.00002   0.00051  -0.00085  -0.00034   1.92996
   A199       1.89199  -0.00001  -0.00008   0.00003  -0.00005   1.89194
   A200       1.89107  -0.00002  -0.00057   0.00035  -0.00022   1.89084
   A201       1.90056   0.00000   0.00030   0.00037   0.00067   1.90122
   A202       1.93373   0.00045  -0.00269   0.00775   0.00507   1.93880
   A203       1.82820  -0.00013   0.00268  -0.00426  -0.00158   1.82663
   A204       1.91206  -0.00036   0.00026  -0.00428  -0.00399   1.90807
   A205       1.95245  -0.00011   0.00008  -0.00221  -0.00215   1.95030
   A206       1.94624   0.00018  -0.00082   0.00463   0.00383   1.95007
   A207       1.88692  -0.00007   0.00069  -0.00248  -0.00178   1.88514
   A208       1.91530  -0.00017   0.00011  -0.00193  -0.00183   1.91347
   A209       1.92694   0.00020   0.00010   0.00370   0.00380   1.93074
   A210       1.93145   0.00001   0.00041  -0.00148  -0.00107   1.93038
   A211       1.89528   0.00010  -0.00000   0.00241   0.00240   1.89768
   A212       1.88941   0.00002   0.00005  -0.00083  -0.00079   1.88862
   A213       1.90468  -0.00016  -0.00068  -0.00187  -0.00256   1.90213
   A214       2.23645   0.00505   0.01498  -0.02038  -0.00540   2.23104
    D1       -0.00268   0.00005   0.00064   0.00021   0.00085  -0.00183
    D2        3.11893  -0.00002  -0.00129   0.00128  -0.00001   3.11892
    D3        3.13140   0.00007   0.00089   0.00032   0.00121   3.13261
    D4       -0.03017   0.00000  -0.00104   0.00139   0.00035  -0.02982
    D5       -0.03711  -0.00003  -0.00050   0.00004  -0.00046  -0.03757
    D6        3.11119  -0.00004  -0.00112   0.00015  -0.00098   3.11022
    D7        3.11201  -0.00005  -0.00075  -0.00007  -0.00082   3.11119
    D8       -0.02287  -0.00006  -0.00137   0.00003  -0.00134  -0.02421
    D9        2.23796   0.00013   0.00646  -0.00083   0.00563   2.24359
   D10       -0.89617   0.00011   0.00498  -0.00067   0.00431  -0.89186
   D11       -0.91118   0.00015   0.00670  -0.00071   0.00599  -0.90519
   D12        2.23787   0.00013   0.00523  -0.00056   0.00467   2.24254
   D13        0.05593   0.00000   0.00014  -0.00044  -0.00030   0.05563
   D14       -2.99689   0.00005   0.00096   0.00090   0.00186  -2.99502
   D15       -3.06532   0.00007   0.00212  -0.00153   0.00058  -3.06473
   D16        0.16505   0.00012   0.00294  -0.00019   0.00275   0.16780
   D17       -0.06992  -0.00005  -0.00103   0.00044  -0.00059  -0.07051
   D18        3.03436   0.00008   0.00186  -0.00031   0.00155   3.03591
   D19        2.98697  -0.00011  -0.00183  -0.00083  -0.00266   2.98431
   D20       -0.19194   0.00001   0.00106  -0.00157  -0.00051  -0.19245
   D21       -2.90619  -0.00015  -0.00331  -0.00176  -0.00508  -2.91127
   D22        0.34793  -0.00012  -0.00234  -0.00015  -0.00249   0.34543
   D23        0.32358  -0.00011  -0.00251  -0.00044  -0.00295   0.32063
   D24       -2.70549  -0.00007  -0.00154   0.00117  -0.00037  -2.70585
   D25        0.03121   0.00007   0.00118  -0.00019   0.00099   0.03220
   D26       -3.11413   0.00005   0.00099  -0.00016   0.00083  -3.11331
   D27       -3.07304  -0.00007  -0.00172   0.00055  -0.00117  -3.07420
   D28        0.06481  -0.00009  -0.00191   0.00058  -0.00133   0.06347
   D29       -0.34832  -0.00020  -0.00239   0.00315   0.00076  -0.34757
   D30        2.87087  -0.00018  -0.00502   0.00571   0.00068   2.87156
   D31        2.75588  -0.00007   0.00050   0.00240   0.00289   2.75877
   D32       -0.30812  -0.00005  -0.00213   0.00496   0.00282  -0.30530
   D33        0.02274  -0.00003  -0.00041  -0.00005  -0.00046   0.02229
   D34       -3.12564  -0.00002   0.00023  -0.00016   0.00007  -3.12556
   D35       -3.11501  -0.00001  -0.00021  -0.00008  -0.00029  -3.11530
   D36        0.01980   0.00000   0.00042  -0.00018   0.00024   0.02004
   D37        0.10473   0.00020   0.00485   0.00065   0.00550   0.11023
   D38       -2.93289   0.00006   0.00298   0.00236   0.00535  -2.92754
   D39        3.13516   0.00017   0.00393  -0.00096   0.00298   3.13814
   D40        0.09754   0.00003   0.00206   0.00076   0.00282   0.10036
   D41        2.98935  -0.00009  -0.00303  -0.00262  -0.00566   2.98369
   D42       -0.11501  -0.00011  -0.00294  -0.00347  -0.00641  -0.12142
   D43       -0.04082  -0.00005  -0.00206  -0.00104  -0.00309  -0.04392
   D44        3.13801  -0.00007  -0.00197  -0.00188  -0.00385   3.13416
   D45       -0.61776  -0.00028  -0.00573   0.00085  -0.00487  -0.62263
   D46       -3.02066  -0.00010  -0.00350  -0.00186  -0.00536  -3.02602
   D47        2.41559  -0.00013  -0.00379  -0.00095  -0.00472   2.41086
   D48        0.01268   0.00005  -0.00156  -0.00365  -0.00522   0.00747
   D49       -0.08125   0.00000  -0.00077  -0.00033  -0.00110  -0.08235
   D50        2.99957  -0.00000  -0.00076   0.00038  -0.00038   2.99920
   D51       -3.11485  -0.00012  -0.00264   0.00145  -0.00119  -3.11604
   D52       -0.03402  -0.00012  -0.00262   0.00216  -0.00047  -0.03449
   D53        0.73468   0.00024   0.00435  -0.00267   0.00167   0.73636
   D54       -2.48901   0.00026   0.00721  -0.00534   0.00187  -2.48714
   D55       -3.12758  -0.00014   0.00175   0.00045   0.00220  -3.12537
   D56       -0.06808  -0.00012   0.00461  -0.00222   0.00240  -0.06569
   D57        2.42540  -0.00007  -0.00060   0.00274   0.00214   2.42753
   D58       -1.10020   0.00029   0.00063   0.00499   0.00563  -1.09458
   D59        0.05054   0.00023   0.00232  -0.00020   0.00212   0.05265
   D60        2.80812   0.00059   0.00355   0.00206   0.00561   2.81373
   D61        3.10691  -0.00006  -0.00350  -0.00036  -0.00387   3.10304
   D62        0.04962  -0.00005  -0.00636   0.00236  -0.00400   0.04562
   D63       -0.03532   0.00005   0.00074   0.00084   0.00157  -0.03375
   D64       -3.13526   0.00005   0.00144  -0.00022   0.00122  -3.13403
   D65        3.06956   0.00008   0.00067   0.00167   0.00234   3.07190
   D66       -0.03038   0.00007   0.00138   0.00061   0.00199  -0.02839
   D67        0.05328  -0.00002   0.00059  -0.00037   0.00022   0.05350
   D68       -3.05912   0.00003   0.00105   0.00014   0.00120  -3.05793
   D69       -3.12998  -0.00003  -0.00015   0.00070   0.00056  -3.12943
   D70        0.04080   0.00003   0.00031   0.00122   0.00153   0.04233
   D71       -2.22514  -0.00005  -0.00426   0.00114  -0.00312  -2.22826
   D72        0.89021   0.00001   0.00111  -0.00180  -0.00069   0.88952
   D73        0.95864  -0.00005  -0.00354   0.00007  -0.00347   0.95516
   D74       -2.20921   0.00000   0.00183  -0.00287  -0.00104  -2.21025
   D75        0.00552  -0.00001  -0.00057   0.00013  -0.00043   0.00509
   D76       -3.07666  -0.00000  -0.00055  -0.00062  -0.00117  -3.07783
   D77        3.11775  -0.00006  -0.00103  -0.00037  -0.00140   3.11635
   D78        0.03557  -0.00005  -0.00100  -0.00113  -0.00213   0.03343
   D79       -0.02203  -0.00017  -0.00691   0.00229  -0.00463  -0.02666
   D80       -3.11416  -0.00023  -0.00713  -0.00202  -0.00915  -3.12332
   D81       -2.77569  -0.00052  -0.00766  -0.00003  -0.00770  -2.78339
   D82        0.41535  -0.00058  -0.00788  -0.00434  -0.01222   0.40314
   D83        0.16263   0.00047  -0.00064   0.00077   0.00012   0.16275
   D84       -2.09936  -0.00082  -0.00085   0.00233   0.00147  -2.09789
   D85        2.34728  -0.00043  -0.00193   0.00284   0.00091   2.34819
   D86        2.92104   0.00071   0.00026   0.00310   0.00336   2.92441
   D87        0.65905  -0.00058   0.00006   0.00466   0.00471   0.66377
   D88       -1.17749  -0.00019  -0.00103   0.00517   0.00416  -1.17334
   D89        0.00132  -0.00000   0.00548  -0.00230   0.00318   0.00450
   D90       -3.10996   0.00004   0.00326  -0.00214   0.00112  -3.10884
   D91        3.09607   0.00006   0.00566   0.00185   0.00751   3.10358
   D92       -0.01521   0.00010   0.00345   0.00201   0.00545  -0.00976
   D93        3.12800  -0.00003  -0.00297   0.00207  -0.00089   3.12711
   D94       -0.02236   0.00003  -0.00087   0.00146   0.00060  -0.02177
   D95        0.03530  -0.00009  -0.00316  -0.00219  -0.00535   0.02995
   D96       -3.11506  -0.00003  -0.00106  -0.00280  -0.00386  -3.11892
   D97       -0.01518   0.00011   0.00122  -0.00006   0.00115  -0.01403
   D98        3.09722   0.00006   0.00334  -0.00020   0.00313   3.10035
   D99       -0.01221  -0.00006  -0.00172  -0.00075  -0.00247  -0.01468
   D100       3.12054  -0.00008  -0.00211   0.00035  -0.00176   3.11878
   D101      -3.12524  -0.00002  -0.00381  -0.00061  -0.00441  -3.12965
   D102       0.00751  -0.00005  -0.00419   0.00049  -0.00370   0.00381
   D103      -0.02856   0.00004   0.00114   0.00109   0.00223  -0.02633
   D104       3.11346  -0.00000  -0.00022   0.00147   0.00125   3.11470
   D105       3.12159  -0.00001  -0.00091   0.00169   0.00079   3.12238
   D106      -0.01957  -0.00005  -0.00227   0.00206  -0.00020  -0.01977
   D107       0.00046   0.00001   0.00069   0.00022   0.00092   0.00138
   D108      -3.13990   0.00003   0.00079  -0.00080  -0.00001  -3.13991
   D109      -3.14156   0.00004   0.00205  -0.00015   0.00191  -3.13965
   D110       0.00126   0.00006   0.00215  -0.00118   0.00098   0.00224
   D111       0.01966   0.00001  -0.00039  -0.00040  -0.00078   0.01888
   D112      -3.11277   0.00004   0.00003  -0.00153  -0.00150  -3.11428
   D113      -3.12316  -0.00002  -0.00049   0.00063   0.00015  -3.12302
   D114       0.02759   0.00002  -0.00008  -0.00050  -0.00057   0.02701
   D115      -2.16434  -0.00009  -0.00294  -0.00072  -0.00365  -2.16799
   D116       0.97880  -0.00015  -0.00907   0.00428  -0.00479   0.97401
   D117       0.97851  -0.00007  -0.00283  -0.00177  -0.00460   0.97391
   D118      -2.16153  -0.00013  -0.00896   0.00323  -0.00574  -2.16727
   D119      -3.13707  -0.00004  -0.00165   0.00049  -0.00116  -3.13823
   D120      -0.03193  -0.00007  -0.00349   0.00175  -0.00174  -0.03367
   D121      -0.00185  -0.00002  -0.00039   0.00035  -0.00004  -0.00188
   D122       3.10329  -0.00005  -0.00223   0.00162  -0.00061   3.10268
   D123       3.13837   0.00003   0.00156  -0.00048   0.00108   3.13945
   D124      -0.03470  -0.00002   0.00041  -0.00099  -0.00058  -0.03529
   D125       0.00315   0.00001   0.00030  -0.00035  -0.00004   0.00311
   D126       3.11327  -0.00004  -0.00086  -0.00086  -0.00171   3.11155
   D127       3.11881   0.00004   0.00401  -0.00244   0.00157   3.12038
   D128       0.01144   0.00008   0.00512  -0.00211   0.00301   0.01445
   D129      -0.00043  -0.00001  -0.00057   0.00006  -0.00051  -0.00094
   D130      -3.10780   0.00003   0.00054   0.00039   0.00093  -3.10686
   D131      -3.12021  -0.00004  -0.00395   0.00242  -0.00154  -3.12175
   D132       0.06453  -0.00002  -0.00355   0.00212  -0.00144   0.06310
   D133      -0.00114   0.00001   0.00066  -0.00011   0.00055  -0.00059
   D134      -3.09958   0.00003   0.00106  -0.00041   0.00065  -3.09893
   D135       3.13954  -0.00005  -0.00466   0.00372  -0.00094   3.13860
   D136       0.02530  -0.00003  -0.00449   0.00432  -0.00017   0.02513
   D137      -0.00338  -0.00000   0.00059  -0.00056   0.00003  -0.00334
   D138      -3.11761   0.00001   0.00075   0.00004   0.00080  -3.11682
   D139      -3.14080   0.00005   0.00473  -0.00374   0.00099  -3.13981
   D140       0.02747   0.00007   0.00645  -0.00481   0.00165   0.02912
   D141       0.00211   0.00000  -0.00051   0.00053   0.00002   0.00213
   D142      -3.11279   0.00003   0.00121  -0.00054   0.00067  -3.11212
   D143       0.00178   0.00000   0.00026   0.00001   0.00028   0.00205
   D144      -3.13055   0.00002   0.00066   0.00045   0.00110  -3.12944
   D145       3.11229  -0.00003  -0.00075  -0.00028  -0.00103   3.11127
   D146      -0.02003  -0.00001  -0.00035   0.00015  -0.00020  -0.02023
   D147       3.12302  -0.00003  -0.00095  -0.00045  -0.00140   3.12162
   D148      -0.00695  -0.00004  -0.00135  -0.00029  -0.00164  -0.00858
   D149       0.01949   0.00000   0.00029  -0.00009   0.00020   0.01969
   D150      -3.11048  -0.00000  -0.00011   0.00007  -0.00004  -3.11052
   D151      -0.00243   0.00000   0.00014  -0.00008   0.00006  -0.00237
   D152       3.12228   0.00002   0.00062  -0.00033   0.00029   3.12257
   D153       3.12803  -0.00002  -0.00033  -0.00060  -0.00093   3.12709
   D154      -0.03045  -0.00000   0.00015  -0.00085  -0.00070  -0.03115
   D155       0.00592   0.00001   0.00011  -0.00004   0.00007   0.00599
   D156       3.14122   0.00001   0.00019  -0.00022  -0.00003   3.14120
   D157      -3.12343   0.00003   0.00063   0.00053   0.00116  -3.12227
   D158       0.01187   0.00003   0.00071   0.00035   0.00106   0.01293
   D159       0.00221  -0.00001  -0.00049   0.00012  -0.00037   0.00184
   D160       3.10478  -0.00002  -0.00084   0.00039  -0.00045   3.10432
   D161      -3.12531  -0.00002  -0.00089   0.00033  -0.00056  -3.12588
   D162      -0.02275  -0.00003  -0.00125   0.00060  -0.00065  -0.02339
   D163      -3.11665   0.00001   0.00021  -0.00002   0.00019  -3.11646
   D164       0.02058  -0.00003  -0.00057   0.00001  -0.00056   0.02002
   D165       0.00638   0.00003   0.00075  -0.00030   0.00045   0.00683
   D166      -3.13957  -0.00001  -0.00003  -0.00027  -0.00030  -3.13987
   D167       3.11638  -0.00002   0.00026  -0.00034  -0.00008   3.11630
   D168      -0.01558   0.00007   0.00187   0.00075   0.00262  -0.01296
   D169       0.02269   0.00000   0.00070  -0.00068   0.00003   0.02272
   D170      -3.10927   0.00009   0.00231   0.00042   0.00273  -3.10654
   D171      -0.00013   0.00002   0.00033  -0.00022   0.00010  -0.00003
   D172       3.13031  -0.00001  -0.00112   0.00115   0.00003   3.13034
   D173      -3.10868   0.00004   0.00197  -0.00137   0.00060  -3.10808
   D174       0.02176   0.00001   0.00052   0.00000   0.00053   0.02229
   D175      -3.12187   0.00002   0.00145  -0.00121   0.00024  -3.12162
   D176       0.00928   0.00001   0.00090  -0.00064   0.00026   0.00954
   D177      -0.02078  -0.00001  -0.00057   0.00020  -0.00037  -0.02115
   D178       3.11037  -0.00002  -0.00113   0.00077  -0.00036   3.11001
   D179       0.00202  -0.00001  -0.00014   0.00001  -0.00013   0.00190
   D180      -3.13164   0.00001   0.00051  -0.00032   0.00019  -3.13145
   D181      -3.12619   0.00002   0.00158  -0.00163  -0.00005  -3.12624
   D182       0.02333   0.00004   0.00223  -0.00196   0.00027   0.02360
   D183      -0.00692  -0.00000  -0.00002  -0.00027  -0.00030  -0.00722
   D184       3.14117  -0.00000  -0.00003  -0.00013  -0.00016   3.14102
   D185       3.11996  -0.00004  -0.00191   0.00153  -0.00038   3.11958
   D186      -0.01513  -0.00004  -0.00192   0.00167  -0.00025  -0.01538
   D187      -0.00319  -0.00000  -0.00010   0.00020   0.00011  -0.00308
   D188      -3.11634   0.00004   0.00093   0.00066   0.00160  -3.11475
   D189       3.13180  -0.00002  -0.00065   0.00048  -0.00016   3.13163
   D190       0.01864   0.00002   0.00039   0.00094   0.00133   0.01997
   D191       3.12879  -0.00002  -0.00055  -0.00027  -0.00082   3.12797
   D192      -0.00980  -0.00002  -0.00055  -0.00033  -0.00089  -0.01069
   D193      -0.00408  -0.00000   0.00017  -0.00064  -0.00047  -0.00455
   D194       3.14051  -0.00001   0.00017  -0.00070  -0.00054   3.13997
   D195      -3.12654   0.00002   0.00057  -0.00016   0.00041  -3.12613
   D196       0.00807   0.00004   0.00070   0.00032   0.00102   0.00910
   D197      -0.01987  -0.00003  -0.00071  -0.00072  -0.00143  -0.02130
   D198       3.11475  -0.00002  -0.00058  -0.00024  -0.00082   3.11393
   D199       0.00329  -0.00000  -0.00044   0.00036  -0.00007   0.00321
   D200      -3.13094   0.00001   0.00012   0.00005   0.00017  -3.13078
   D201       3.12006  -0.00001  -0.00058  -0.00019  -0.00076   3.11929
   D202      -0.01417  -0.00000  -0.00003  -0.00050  -0.00052  -0.01469
   D203       3.12415  -0.00001   0.00017  -0.00047  -0.00030   3.12385
   D204      -0.01438  -0.00001   0.00025  -0.00048  -0.00022  -0.01460
   D205       0.01295   0.00001   0.00036   0.00019   0.00055   0.01350
   D206      -3.12558   0.00001   0.00043   0.00019   0.00063  -3.12495
   D207      -0.00196   0.00000   0.00012  -0.00004   0.00008  -0.00187
   D208       3.13074  -0.00003  -0.00139   0.00125  -0.00014   3.13060
   D209       3.13077  -0.00001  -0.00054   0.00034  -0.00020   3.13057
   D210      -0.01972  -0.00004  -0.00205   0.00163  -0.00042  -0.02014
   D211       0.00521  -0.00001  -0.00047   0.00057   0.00010   0.00531
   D212      -3.14035  -0.00000  -0.00023   0.00030   0.00008  -3.14027
   D213      -3.12664   0.00000   0.00026   0.00015   0.00041  -3.12623
   D214       0.01099   0.00001   0.00050  -0.00011   0.00039   0.01138
   D215      -0.00007  -0.00001   0.00024  -0.00030  -0.00007  -0.00013
   D216       3.11732  -0.00003  -0.00132   0.00066  -0.00065   3.11666
   D217      -3.13427   0.00002   0.00149  -0.00137   0.00012  -3.13415
   D218      -0.01688   0.00000  -0.00006  -0.00041  -0.00047  -0.01735
   D219      -3.12579   0.00002   0.00131  -0.00097   0.00034  -3.12545
   D220       0.01024   0.00003   0.00161  -0.00118   0.00044   0.01068
   D221       0.00603  -0.00001  -0.00035   0.00044   0.00009   0.00612
   D222      -3.14113  -0.00000  -0.00005   0.00024   0.00019  -3.14094
   D223       3.12746  -0.00002  -0.00150   0.00128  -0.00022   3.12725
   D224      -0.00598  -0.00001  -0.00146   0.00143  -0.00004  -0.00601
   D225       0.01552   0.00001   0.00041   0.00010   0.00050   0.01603
   D226      -3.11792   0.00001   0.00045   0.00024   0.00068  -3.11724
   D227       0.00899   0.00001   0.00025   0.00011   0.00036   0.00935
   D228      -3.13991  -0.00003  -0.00020  -0.00048  -0.00068  -3.14060
   D229      -3.12823   0.00005   0.00103   0.00007   0.00111  -3.12713
   D230       0.00605   0.00001   0.00058  -0.00052   0.00007   0.00611
   D231      -0.00884  -0.00004  -0.00081  -0.00020  -0.00100  -0.00985
   D232       3.12580  -0.00006  -0.00163   0.00022  -0.00141   3.12439
   D233       3.14004  -0.00000  -0.00035   0.00039   0.00003   3.14008
   D234      -0.00850  -0.00003  -0.00118   0.00081  -0.00037  -0.00887
   D235      -0.00697   0.00003   0.00032   0.00047   0.00079  -0.00618
   D236       3.12504  -0.00006  -0.00128  -0.00061  -0.00189   3.12315
   D237       3.14155   0.00006   0.00114   0.00005   0.00119  -3.14045
   D238      -0.00962  -0.00003  -0.00046  -0.00103  -0.00149  -0.01112
   D239      -0.00548   0.00000   0.00001  -0.00008  -0.00008  -0.00555
   D240      -3.14137  -0.00001  -0.00012  -0.00002  -0.00015  -3.14152
   D241       3.12455   0.00001   0.00041  -0.00025   0.00016   3.12471
   D242      -0.01135   0.00000   0.00028  -0.00019   0.00009  -0.01126
   D243      -0.00811  -0.00001  -0.00025   0.00020  -0.00005  -0.00816
   D244       3.14083  -0.00001  -0.00006  -0.00019  -0.00025   3.14058
   D245       3.12776   0.00001  -0.00011   0.00014   0.00002   3.12778
   D246      -0.00649   0.00000   0.00007  -0.00025  -0.00017  -0.00666
   D247       0.00774  -0.00000   0.00018  -0.00013   0.00005   0.00780
   D248      -3.12755  -0.00000   0.00010   0.00005   0.00015  -3.12740
   D249      -3.14121   0.00000  -0.00000   0.00025   0.00025  -3.14096
   D250       0.00668   0.00000  -0.00009   0.00043   0.00035   0.00703
   D251      -0.00840  -0.00001  -0.00038   0.00015  -0.00023  -0.00863
   D252       3.13692  -0.00002  -0.00011  -0.00055  -0.00066   3.13626
   D253       3.13019  -0.00001  -0.00038   0.00022  -0.00017   3.13003
   D254      -0.00768  -0.00001  -0.00011  -0.00048  -0.00059  -0.00827
   D255       0.00697  -0.00000   0.00005   0.00006   0.00011   0.00708
   D256      -3.13620  -0.00002  -0.00055   0.00049  -0.00006  -3.13625
   D257      -3.13834   0.00001  -0.00022   0.00076   0.00053  -3.13780
   D258       0.00168  -0.00002  -0.00082   0.00119   0.00037   0.00205
   D259       0.00713   0.00002   0.00049   0.00022   0.00072   0.00784
   D260      -3.12754   0.00001   0.00036  -0.00026   0.00011  -3.12743
   D261      -3.13290   0.00004   0.00109  -0.00021   0.00088  -3.13202
   D262       0.01562   0.00003   0.00096  -0.00068   0.00027   0.01589
   D263       0.00563   0.00000   0.00014  -0.00014   0.00000   0.00563
   D264      -3.14073   0.00000   0.00006   0.00003   0.00009  -3.14064
   D265      -3.12557   0.00001   0.00068  -0.00070  -0.00002  -3.12559
   D266       0.01125   0.00001   0.00060  -0.00053   0.00007   0.01132
   D267       0.00868   0.00001   0.00036  -0.00013   0.00023   0.00891
   D268      -3.13896  -0.00002  -0.00039   0.00013  -0.00026  -3.13922
   D269      -3.12813   0.00001   0.00045  -0.00030   0.00014  -3.12799
   D270       0.00742  -0.00002  -0.00031  -0.00004  -0.00034   0.00708
   D271      -0.00787  -0.00001  -0.00042   0.00034  -0.00008  -0.00795
   D272       3.12721  -0.00001  -0.00041   0.00020  -0.00021   3.12700
   D273       3.13978   0.00002   0.00034   0.00007   0.00041   3.14019
   D274      -0.00832   0.00001   0.00034  -0.00007   0.00027  -0.00805
   D275       0.00540   0.00001   0.00041  -0.00019   0.00023   0.00563
   D276      -3.14075  -0.00000   0.00001   0.00003   0.00004  -3.14071
   D277      -3.13062   0.00001   0.00010   0.00002   0.00013  -3.13049
   D278       0.00641  -0.00001  -0.00029   0.00024  -0.00006   0.00636
   D279      -0.00665  -0.00000  -0.00005  -0.00013  -0.00018  -0.00684
   D280       3.13132  -0.00001  -0.00014  -0.00035  -0.00049   3.13084
   D281       3.13949   0.00001   0.00035  -0.00034   0.00000   3.13949
   D282      -0.00572   0.00000   0.00026  -0.00056  -0.00030  -0.00602
   D283      -0.00380  -0.00001  -0.00035   0.00017  -0.00018  -0.00398
   D284       3.12967  -0.00001  -0.00039   0.00003  -0.00036   3.12931
   D285       3.14140   0.00000  -0.00027   0.00039   0.00012   3.14152
   D286      -0.00832   0.00000  -0.00030   0.00025  -0.00006  -0.00838
   D287      -0.00319  -0.00001  -0.00020   0.00003  -0.00017  -0.00335
   D288       3.13980  -0.00001  -0.00014   0.00014   0.00001   3.13981
   D289       3.13535  -0.00000  -0.00028   0.00003  -0.00024   3.13511
   D290      -0.00485  -0.00000  -0.00021   0.00014  -0.00007  -0.00492
   D291      -0.00543  -0.00000  -0.00030   0.00005  -0.00024  -0.00567
   D292       3.13876   0.00000   0.00023  -0.00051  -0.00029   3.13847
   D293       3.13476  -0.00000  -0.00036  -0.00006  -0.00042   3.13434
   D294      -0.00424   0.00000   0.00017  -0.00063  -0.00046  -0.00470
   D295       0.00431   0.00001   0.00063  -0.00035   0.00028   0.00458
   D296      -3.13332   0.00001   0.00039  -0.00009   0.00030  -3.13302
   D297      -3.13989   0.00000   0.00010   0.00021   0.00032  -3.13957
   D298       0.00567   0.00000  -0.00014   0.00048   0.00034   0.00601
   D299       1.82725   0.00296  -0.01862   0.01474  -0.00387   1.82338
   D300      -0.43041   0.00113  -0.01790   0.01698  -0.00092  -0.43133
   D301      -2.66924   0.00166  -0.01661   0.01193  -0.00468  -2.67392
   D302      -3.14009   0.00056   0.00035  -0.04065  -0.04029   3.10280
   D303      -0.96487  -0.00009  -0.00229  -0.04180  -0.04410  -1.00897
   D304       1.27011  -0.00094  -0.00379  -0.03890  -0.04269   1.22742
   D305      -2.36406   0.00057   0.00970   0.00491   0.01462  -2.34944
   D306      -0.23353   0.00115   0.01007   0.00528   0.01534  -0.21819
   D307       1.81654   0.00082   0.00947   0.00490   0.01437   1.83091
   D308       1.63030  -0.00015   0.05337  -0.08500  -0.03164   1.59866
   D309      -2.54463  -0.00011   0.05360  -0.08607  -0.03245  -2.57708
   D310      -0.52420  -0.00042   0.05600  -0.09314  -0.03716  -0.56135
   D311      -3.06925   0.00124  -0.00104  -0.00211  -0.00315  -3.07240
   D312      -0.98078   0.00123  -0.00126  -0.00198  -0.00324  -0.98402
   D313       1.13263   0.00126  -0.00030  -0.00233  -0.00262   1.13001
   D314       1.10684  -0.00119   0.00096  -0.00102  -0.00006   1.10678
   D315      -3.08787  -0.00120   0.00073  -0.00089  -0.00015  -3.08803
   D316      -0.97447  -0.00117   0.00170  -0.00123   0.00047  -0.97400
   D317      -1.02884  -0.00010  -0.00160  -0.00288  -0.00448  -1.03332
   D318       1.05963  -0.00011  -0.00182  -0.00275  -0.00458   1.05506
   D319      -3.11015  -0.00008  -0.00086  -0.00310  -0.00396  -3.11410
   D320      -0.85793  -0.00130  -0.00983  -0.02038  -0.03022  -0.88815
   D321       1.24079  -0.00070  -0.00981  -0.02114  -0.03096   1.20983
   D322      -2.87781  -0.00094  -0.00779  -0.01929  -0.02707  -2.90488
   D323       3.08086  -0.00001   0.00201  -0.00153   0.00049   3.08135
   D324      -1.11383   0.00013   0.00214   0.00253   0.00468  -1.10915
   D325       0.99681   0.00007   0.00161   0.00166   0.00328   1.00009
   D326       1.04795  -0.00007   0.00035   0.00022   0.00057   1.04852
   D327       3.13645   0.00007   0.00047   0.00428   0.00476   3.14121
   D328      -1.03609   0.00001  -0.00005   0.00340   0.00336  -1.03273
   D329      -1.06764  -0.00003  -0.00001   0.00169   0.00166  -1.06598
   D330       1.02086   0.00011   0.00012   0.00575   0.00586   1.02671
   D331       3.13150   0.00005  -0.00040   0.00487   0.00445   3.13595
         Item               Value     Threshold  Converged?
 Maximum Force            0.005055     0.000450     NO 
 RMS     Force            0.000404     0.000300     NO 
 Maximum Displacement     0.190507     0.001800     NO 
 RMS     Displacement     0.024945     0.001200     NO 
 Predicted change in Energy=-3.531455D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.589448    3.248833    0.115097
      2          6           0       -2.752398    1.868889    0.253910
      3          6           0       -1.650547    1.005850    0.200926
      4          6           0       -0.358540    1.556795    0.072378
      5          6           0       -0.203215    2.940617   -0.085077
      6          6           0       -1.305116    3.782999   -0.078210
      7          6           0       -1.788568   -0.461887    0.161388
      8          6           0       -0.660388   -1.289003    0.388830
      9          6           0        0.626666   -0.650733    0.807529
     10          6           0        0.825084    0.685076    0.148082
     11          6           0       -2.996248   -1.049398   -0.234746
     12          6           0       -3.097651   -2.422992   -0.459802
     13          6           0       -1.956838   -3.222464   -0.324763
     14          6           0       -0.760500   -2.654686    0.090835
     15          7           0        1.781825   -1.473285    0.892097
     16          6           0        3.033033   -0.969964    0.421480
     17          6           0        3.080833    0.323751   -0.146656
     18          7           0        1.962264    1.130522   -0.262611
     19          6           0        4.220634   -1.718948    0.445833
     20          6           0        5.410212   -1.190131   -0.039782
     21          6           0        5.457297    0.095866   -0.598250
     22          6           0        4.283936    0.836863   -0.655583
     23          7           0       -3.718305    4.103093    0.160844
     24          7           0       -4.327548   -2.992058   -0.868614
     25          7           0        6.677658    0.623827   -1.092513
     26          6           0       -4.968713   -4.075826   -0.251125
     27          6           0       -6.186193   -4.335295   -0.928954
     28          6           0       -6.284806   -3.369354   -2.003933
     29          6           0       -5.124684   -2.556931   -1.936925
     30          6           0       -3.856445    5.237579    0.974021
     31          6           0       -5.126136    5.821203    0.735950
     32          6           0       -5.784679    5.005819   -0.263567
     33          6           0       -4.891295    3.955599   -0.593604
     34          6           0        7.269804    1.829081   -0.695396
     35          6           0        8.480169    2.005178   -1.413270
     36          6           0        8.622579    0.857535   -2.285171
     37          6           0        7.494370    0.027804   -2.061073
     38          6           0       -7.231313   -3.139203   -3.008813
     39          6           0       -7.009342   -2.119406   -3.929560
     40          6           0       -5.845085   -1.336110   -3.860892
     41          6           0       -4.887039   -1.544035   -2.870369
     42          6           0       -4.581909   -4.813478    0.870774
     43          6           0       -5.426619   -5.837939    1.292921
     44          6           0       -6.629181   -6.120148    0.623214
     45          6           0       -7.016076   -5.370582   -0.483651
     46          6           0       -7.028526    5.080216   -0.900714
     47          6           0       -7.362012    4.121405   -1.852652
     48          6           0       -6.459036    3.096187   -2.179784
     49          6           0       -5.214040    3.000746   -1.561847
     50          6           0       -2.975836    5.763202    1.923302
     51          6           0       -3.376266    6.903330    2.616739
     52          6           0       -4.623558    7.505277    2.380170
     53          6           0       -5.503238    6.966821    1.445936
     54          6           0        9.584890    0.472015   -3.225585
     55          6           0        9.409507   -0.716855   -3.927576
     56          6           0        8.278270   -1.519596   -3.702800
     57          6           0        7.305851   -1.160441   -2.771913
     58          6           0        6.843161    2.754927    0.260343
     59          6           0        7.641877    3.875561    0.477560
     60          6           0        8.838142    4.072239   -0.233154
     61          6           0        9.263057    3.141041   -1.175960
     62          8           0        0.477329   -3.066089    2.712056
     63         15           0        1.773496   -2.795381    2.064097
     64          8           0        3.003707   -2.489344    3.042270
     65          8           0        2.367091   -3.953208    1.116808
     66          6           0        2.800178   -1.959004    4.392955
     67          6           0        3.784205   -0.829976    4.622772
     68          6           0        2.599194   -5.280798    1.679094
     69          6           0        1.383644   -6.171365    1.496401
     70          1           0       -3.748448    1.478905    0.423488
     71          1           0        0.797740    3.337233   -0.208550
     72          1           0       -1.184212    4.851750   -0.214986
     73          1           0       -3.868838   -0.431750   -0.405681
     74          1           0       -2.005448   -4.276760   -0.572381
     75          1           0        0.114657   -3.286531    0.126989
     76          1           0        4.232414   -2.718689    0.849184
     77          1           0        6.317469   -1.781883    0.014595
     78          1           0        4.261679    1.825035   -1.099868
     79          1           0       -8.125370   -3.752831   -3.071039
     80          1           0       -7.736949   -1.930978   -4.712856
     81          1           0       -5.681460   -0.555321   -4.597797
     82          1           0       -3.983818   -0.945131   -2.836392
     83          1           0       -3.663349   -4.592684    1.403049
     84          1           0       -5.148312   -6.425802    2.162506
     85          1           0       -7.263791   -6.926249    0.978132
     86          1           0       -7.952310   -5.581272   -0.992487
     87          1           0       -7.722885    5.878874   -0.655990
     88          1           0       -8.325926    4.165911   -2.349888
     89          1           0       -6.732799    2.358778   -2.928415
     90          1           0       -4.520546    2.212694   -1.832158
     91          1           0       -2.017496    5.297814    2.123760
     92          1           0       -2.708670    7.330921    3.358867
     93          1           0       -4.903814    8.394401    2.936400
     94          1           0       -6.472896    7.424879    1.273279
     95          1           0       10.454833    1.096421   -3.408072
     96          1           0       10.149556   -1.026685   -4.658884
     97          1           0        8.154432   -2.438739   -4.267853
     98          1           0        6.430018   -1.779727   -2.612395
     99          1           0        5.924482    2.607680    0.817302
    100          1           0        7.330977    4.610585    1.214050
    101          1           0        9.435660    4.958160   -0.041550
    102          1           0       10.191986    3.290686   -1.718694
    103          1           0        1.767292   -1.622201    4.494565
    104          1           0        2.971633   -2.795419    5.076715
    105          1           0        3.691081   -0.471292    5.653060
    106          1           0        4.813259   -1.165171    4.465627
    107          1           0        3.576131    0.004095    3.948269
    108          1           0        3.466829   -5.663470    1.135708
    109          1           0        2.875913   -5.184196    2.733470
    110          1           0        1.604559   -7.176694    1.870080
    111          1           0        0.528304   -5.772654    2.046775
    112          1           0        1.120099   -6.250445    0.437933
    113         17           0        0.316881    0.116021    2.762557
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351317           0.0181259           0.0142806
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10690.2714488610 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000418    0.000029   -0.000370 Ang=  -0.06 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48636233     A.U. after   11 cycles
            NFock= 11  Conv=0.69D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000358744    0.000183962    0.000020641
      2        6           0.000162645   -0.000186306   -0.000403555
      3        6           0.000097188    0.000443697   -0.000099231
      4        6           0.000244989   -0.000468669    0.000469752
      5        6          -0.000224906    0.000034394   -0.000022805
      6        6           0.000192217   -0.000037366    0.000114368
      7        6          -0.000076044   -0.000233337    0.000046949
      8        6          -0.000545795   -0.000748077   -0.000864920
      9        6           0.000179382    0.001132497    0.000825122
     10        6          -0.000213930    0.000462297   -0.000264313
     11        6           0.000059217    0.000142750    0.000099878
     12        6           0.000109209   -0.000179143   -0.000085022
     13        6          -0.000161900   -0.000046244    0.000085708
     14        6          -0.000025821    0.000135275    0.000050529
     15        7           0.000965671   -0.000807462   -0.000681326
     16        6          -0.000154892   -0.000250960    0.000072777
     17        6          -0.000917278    0.000540383   -0.000101004
     18        7           0.000442271   -0.000605873   -0.000245781
     19        6           0.000222058    0.000220097    0.000276695
     20        6          -0.000195659   -0.000091903   -0.000200235
     21        6           0.000259545    0.000107392    0.000066001
     22        6           0.000389468   -0.000062164    0.000065231
     23        7           0.000408330   -0.000264184    0.000023771
     24        7          -0.000029352    0.000346104    0.000141248
     25        7          -0.000346981   -0.000184173   -0.000200217
     26        6          -0.000027340   -0.000137842   -0.000167043
     27        6           0.000049832   -0.000009066   -0.000015727
     28        6           0.000049501   -0.000054208   -0.000033567
     29        6          -0.000044744   -0.000020739    0.000022000
     30        6           0.000033028    0.000214145   -0.000171186
     31        6           0.000114011    0.000138331   -0.000075099
     32        6           0.000013508   -0.000144228    0.000051287
     33        6          -0.000316327   -0.000141389    0.000092860
     34        6           0.000071601    0.000235641   -0.000011835
     35        6          -0.000113278    0.000000404   -0.000043614
     36        6           0.000096383   -0.000118431    0.000089066
     37        6           0.000120016   -0.000002676    0.000251597
     38        6           0.000031905    0.000100262    0.000047974
     39        6          -0.000000326   -0.000027857    0.000003145
     40        6          -0.000024223   -0.000093639    0.000107189
     41        6          -0.000031568    0.000085380    0.000028685
     42        6          -0.000023966    0.000044115    0.000066396
     43        6          -0.000020021    0.000057844   -0.000031464
     44        6          -0.000000031    0.000026228   -0.000018418
     45        6           0.000031847   -0.000012397    0.000062284
     46        6           0.000023749    0.000033591   -0.000006934
     47        6           0.000068534   -0.000012730    0.000023356
     48        6          -0.000024218    0.000091342   -0.000024380
     49        6          -0.000036836    0.000066482    0.000011278
     50        6          -0.000081499    0.000009923    0.000061664
     51        6          -0.000108113    0.000019479    0.000007438
     52        6           0.000022281   -0.000024955   -0.000050311
     53        6           0.000026406   -0.000081825    0.000061278
     54        6          -0.000056254    0.000042567   -0.000064585
     55        6          -0.000031052   -0.000039700    0.000049509
     56        6          -0.000004088    0.000050999    0.000028058
     57        6          -0.000003033    0.000017724   -0.000096437
     58        6           0.000036476    0.000049072   -0.000001516
     59        6           0.000028789   -0.000077586   -0.000058119
     60        6          -0.000002414    0.000032078   -0.000017937
     61        6          -0.000063885   -0.000060534    0.000088254
     62        8           0.000004186   -0.000042853   -0.000018261
     63       15           0.000196732    0.000986490   -0.000465710
     64        8           0.000078396   -0.001096621   -0.000365989
     65        8          -0.000029091    0.000196898    0.000065526
     66        6          -0.000315458    0.000944455    0.000671118
     67        6          -0.000051314   -0.000141678   -0.000078228
     68        6          -0.000046630   -0.000229485   -0.000018363
     69        6          -0.000021197    0.000079679    0.000151320
     70        1          -0.000019244    0.000020767    0.000111728
     71        1           0.000015508   -0.000021963    0.000016201
     72        1           0.000059217    0.000006263   -0.000045543
     73        1          -0.000071149   -0.000068879    0.000044968
     74        1           0.000046723    0.000023528   -0.000031237
     75        1           0.000070449    0.000035386   -0.000022907
     76        1          -0.000098548   -0.000007650   -0.000000013
     77        1           0.000006511    0.000002276    0.000099361
     78        1          -0.000163156   -0.000032272   -0.000033034
     79        1           0.000017838   -0.000033764   -0.000011310
     80        1           0.000003919    0.000013645    0.000025617
     81        1           0.000031829    0.000007542   -0.000052882
     82        1           0.000021375   -0.000045283   -0.000036221
     83        1          -0.000026166   -0.000041617   -0.000018284
     84        1          -0.000006466   -0.000022450    0.000003936
     85        1          -0.000000107    0.000006433   -0.000002245
     86        1           0.000011367    0.000003582   -0.000024144
     87        1           0.000006441    0.000006620    0.000006439
     88        1          -0.000009427    0.000000440   -0.000019144
     89        1          -0.000002455   -0.000050288    0.000031524
     90        1          -0.000009766   -0.000003507   -0.000031515
     91        1          -0.000002678    0.000009343    0.000042042
     92        1           0.000017332   -0.000012506   -0.000013008
     93        1          -0.000000713   -0.000010657    0.000014614
     94        1           0.000005123    0.000011802   -0.000012641
     95        1          -0.000002807   -0.000003927    0.000019803
     96        1          -0.000000588    0.000018380   -0.000014335
     97        1           0.000012676   -0.000006867   -0.000012969
     98        1           0.000011171    0.000000534   -0.000007673
     99        1           0.000019426    0.000007020   -0.000010875
    100        1          -0.000017056    0.000006351    0.000003515
    101        1          -0.000003170   -0.000028869    0.000001628
    102        1           0.000021688   -0.000008219   -0.000024655
    103        1           0.000023438   -0.000398620    0.000093625
    104        1           0.000074508   -0.000001644   -0.000104103
    105        1          -0.000019146   -0.000002717   -0.000027299
    106        1           0.000011869    0.000008973    0.000023857
    107        1          -0.000005987    0.000044055    0.000029164
    108        1          -0.000212133    0.000052634   -0.000016452
    109        1           0.000127173   -0.000005685    0.000063749
    110        1           0.000024906   -0.000008982    0.000040297
    111        1          -0.000008086    0.000059847   -0.000085276
    112        1          -0.000016536   -0.000044803   -0.000045900
    113       17          -0.000046268   -0.000019928    0.000634773
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001132497 RMS     0.000217172

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002667580 RMS     0.000230650
 Search for a local minimum.
 Step number  32 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   27   28   29   30   31
                                                     32
 DE= -1.20D-04 DEPred=-3.53D-05 R= 3.39D+00
 TightC=F SS=  1.41D+00  RLast= 1.19D-01 DXNew= 2.1488D+00 3.5604D-01
 Trust test= 3.39D+00 RLast= 1.19D-01 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0
 ITU= -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00136   0.00397   0.00502   0.00815   0.00971
     Eigenvalues ---    0.01301   0.01413   0.01646   0.02081   0.02445
     Eigenvalues ---    0.02486   0.02541   0.02554   0.02586   0.02602
     Eigenvalues ---    0.02636   0.02640   0.02666   0.02681   0.02695
     Eigenvalues ---    0.02699   0.02702   0.02714   0.02719   0.02749
     Eigenvalues ---    0.02760   0.02767   0.02780   0.02795   0.02802
     Eigenvalues ---    0.02806   0.02811   0.02812   0.02818   0.02827
     Eigenvalues ---    0.02840   0.02854   0.02862   0.02869   0.02875
     Eigenvalues ---    0.02876   0.02886   0.02892   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02908   0.02916   0.02917   0.02919
     Eigenvalues ---    0.02928   0.02936   0.02944   0.02946   0.02950
     Eigenvalues ---    0.02950   0.02953   0.02955   0.02959   0.02963
     Eigenvalues ---    0.02965   0.02966   0.02971   0.02976   0.02984
     Eigenvalues ---    0.02989   0.02992   0.02995   0.03000   0.03018
     Eigenvalues ---    0.03024   0.03029   0.03034   0.03051   0.03059
     Eigenvalues ---    0.03063   0.03070   0.03083   0.03094   0.03095
     Eigenvalues ---    0.03107   0.03115   0.03124   0.03133   0.03141
     Eigenvalues ---    0.03165   0.03175   0.03177   0.03188   0.03224
     Eigenvalues ---    0.03232   0.03242   0.03250   0.03278   0.03325
     Eigenvalues ---    0.03442   0.03522   0.03875   0.05093   0.05356
     Eigenvalues ---    0.05717   0.05753   0.05781   0.05893   0.05945
     Eigenvalues ---    0.06148   0.06552   0.07050   0.08355   0.11534
     Eigenvalues ---    0.11944   0.12236   0.13475   0.13800   0.14339
     Eigenvalues ---    0.15360   0.15848   0.15918   0.15964   0.15986
     Eigenvalues ---    0.15993   0.15994   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16002
     Eigenvalues ---    0.16004   0.16006   0.16014   0.16019   0.16030
     Eigenvalues ---    0.16047   0.16086   0.16123   0.16258   0.18271
     Eigenvalues ---    0.19593   0.20967   0.21157   0.21780   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22001   0.22004   0.22162
     Eigenvalues ---    0.22347   0.22453   0.22527   0.22576   0.22599
     Eigenvalues ---    0.22606   0.22614   0.22661   0.22686   0.22768
     Eigenvalues ---    0.23439   0.23480   0.23515   0.23785   0.24116
     Eigenvalues ---    0.24368   0.24479   0.24489   0.24525   0.24539
     Eigenvalues ---    0.24550   0.24647   0.24720   0.24777   0.24906
     Eigenvalues ---    0.24925   0.24970   0.24976   0.24979   0.24988
     Eigenvalues ---    0.24990   0.24991   0.24997   0.25039   0.25161
     Eigenvalues ---    0.25316   0.25900   0.26188   0.26539   0.27169
     Eigenvalues ---    0.27415   0.28078   0.28741   0.28839   0.28987
     Eigenvalues ---    0.29213   0.29331   0.29651   0.29822   0.30247
     Eigenvalues ---    0.30505   0.30655   0.30722   0.30853   0.30955
     Eigenvalues ---    0.31133   0.31199   0.31269   0.31385   0.31480
     Eigenvalues ---    0.31554   0.31709   0.32136   0.32233   0.32553
     Eigenvalues ---    0.33137   0.33316   0.33587   0.33964   0.34044
     Eigenvalues ---    0.34246   0.34497   0.34669   0.34937   0.35055
     Eigenvalues ---    0.35156   0.35479   0.35552   0.35762   0.36378
     Eigenvalues ---    0.36515   0.36784   0.37138   0.37309   0.39057
     Eigenvalues ---    0.40028   0.41416   0.41551   0.42057   0.42623
     Eigenvalues ---    0.42896   0.43439   0.43723   0.45305   0.46304
     Eigenvalues ---    0.47096   0.47108   0.47175   0.47386   0.47688
     Eigenvalues ---    0.47975   0.49645   0.50030   0.50199   0.50475
     Eigenvalues ---    0.50603   0.51160   0.51682   0.51993   0.52060
     Eigenvalues ---    0.52200   0.52339   0.52667   0.53104   0.53230
     Eigenvalues ---    0.53419   0.53791   0.54296   0.54348   0.55025
     Eigenvalues ---    0.55295   0.55585   0.55628   0.55709   0.56027
     Eigenvalues ---    0.56181   0.56288   0.56462   0.56623   0.56774
     Eigenvalues ---    0.56944   0.57178   0.57374   0.57959   0.58232
     Eigenvalues ---    0.58285   0.58302   0.58343   0.58511   0.58669
     Eigenvalues ---    0.58936   0.59011   0.59443   0.59725   0.59807
     Eigenvalues ---    0.60068   0.60625   0.60885   0.61551   0.62021
     Eigenvalues ---    0.63252   0.63544   0.64294   0.65009   0.65347
     Eigenvalues ---    0.65932   0.66768   0.67796   0.68861   0.72095
     Eigenvalues ---    0.73107   0.74576   0.77662   0.80342   0.81116
     Eigenvalues ---    0.85505   1.03056   4.81392
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    32   31   30   29   28   27   26   25   24
 RFO step:  Lambda=-1.56858147D-04.
 DidBck=T Rises=F RFO-DIIS coefs:    0.23526    1.57156   -2.00000    1.05844    0.45283
                  RFO-DIIS coefs:   -0.14905   -0.06911    0.00575   -0.10568
 Iteration  1 RMS(Cart)=  0.02652585 RMS(Int)=  0.00031739
 Iteration  2 RMS(Cart)=  0.00050678 RMS(Int)=  0.00000619
 Iteration  3 RMS(Cart)=  0.00000016 RMS(Int)=  0.00000619
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63890   0.00004   0.00005   0.00032   0.00037   2.63927
    R2        2.65384   0.00010   0.00020   0.00016   0.00036   2.65420
    R3        2.67660  -0.00019  -0.00004  -0.00074  -0.00078   2.67582
    R4        2.64678  -0.00013   0.00001  -0.00058  -0.00058   2.64620
    R5        2.04664   0.00003  -0.00005   0.00021   0.00016   2.04679
    R6        2.66535  -0.00015  -0.00035  -0.00002  -0.00037   2.66498
    R7        2.78686   0.00014  -0.00037   0.00142   0.00105   2.78791
    R8        2.64823  -0.00003   0.00012  -0.00018  -0.00006   2.64818
    R9        2.78155  -0.00032  -0.00019  -0.00088  -0.00106   2.78049
   R10        2.62110  -0.00013  -0.00007  -0.00020  -0.00027   2.62083
   R11        2.04795   0.00000   0.00012  -0.00006   0.00006   2.04800
   R12        2.04890   0.00001   0.00003   0.00003   0.00006   2.04896
   R13        2.67824  -0.00011  -0.00011  -0.00025  -0.00037   2.67787
   R14        2.64601  -0.00013  -0.00007  -0.00045  -0.00052   2.64549
   R15        2.82778   0.00084   0.00043   0.00326   0.00368   2.83146
   R16        2.64826  -0.00017  -0.00005  -0.00081  -0.00086   2.64739
   R17        2.84002  -0.00006   0.00008  -0.00039  -0.00030   2.83972
   R18        2.68457   0.00048   0.00092   0.00128   0.00221   2.68677
   R19        2.43494  -0.00015  -0.00021   0.00007  -0.00013   2.43481
   R20        2.63730  -0.00001  -0.00002   0.00028   0.00026   2.63756
   R21        2.04590   0.00003   0.00003   0.00002   0.00005   2.04595
   R22        2.64484  -0.00005   0.00018  -0.00055  -0.00036   2.64447
   R23        2.67489  -0.00013   0.00006  -0.00024  -0.00018   2.67471
   R24        2.62279   0.00005  -0.00000   0.00047   0.00047   2.62325
   R25        2.04860  -0.00001   0.00002   0.00003   0.00005   2.04865
   R26        2.04093   0.00005   0.00003   0.00026   0.00029   2.04122
   R27        2.69929  -0.00031   0.00010  -0.00161  -0.00150   2.69779
   R28        3.33877  -0.00000  -0.00079  -0.00117  -0.00196   3.33681
   R29        2.67165   0.00024  -0.00022   0.00092   0.00070   2.67234
   R30        2.65368  -0.00010  -0.00028   0.00025  -0.00003   2.65365
   R31        2.61543  -0.00058   0.00039  -0.00197  -0.00159   2.61383
   R32        2.65219   0.00013  -0.00032   0.00113   0.00081   2.65300
   R33        2.62568  -0.00013   0.00028  -0.00094  -0.00065   2.62503
   R34        2.03733  -0.00001  -0.00021   0.00070   0.00049   2.03781
   R35        2.65094   0.00000  -0.00039   0.00087   0.00048   2.65142
   R36        2.04950   0.00000  -0.00000  -0.00000  -0.00000   2.04949
   R37        2.62471  -0.00001   0.00023  -0.00036  -0.00013   2.62458
   R38        2.68069  -0.00020   0.00024  -0.00112  -0.00087   2.67982
   R39        2.04786   0.00001   0.00008  -0.00008   0.00001   2.04787
   R40        2.65060   0.00016   0.00027   0.00025   0.00052   2.65113
   R41        2.65024   0.00025   0.00017   0.00075   0.00092   2.65116
   R42        2.65030   0.00007  -0.00001   0.00022   0.00021   2.65050
   R43        2.64970  -0.00006   0.00010  -0.00030  -0.00021   2.64949
   R44        2.64627   0.00017  -0.00005   0.00076   0.00071   2.64699
   R45        2.64587  -0.00004  -0.00001  -0.00000  -0.00001   2.64586
   R46        2.67850  -0.00008   0.00000  -0.00021  -0.00021   2.67830
   R47        2.64049   0.00001   0.00004   0.00004   0.00009   2.64058
   R48        2.73740  -0.00008   0.00008  -0.00037  -0.00029   2.73710
   R49        2.64482  -0.00003   0.00001  -0.00002  -0.00000   2.64482
   R50        2.67942  -0.00004  -0.00002  -0.00004  -0.00006   2.67936
   R51        2.64469  -0.00008  -0.00001  -0.00012  -0.00013   2.64456
   R52        2.64140  -0.00003   0.00003   0.00002   0.00005   2.64145
   R53        2.67876  -0.00005   0.00002  -0.00017  -0.00015   2.67860
   R54        2.64081   0.00003   0.00010   0.00004   0.00014   2.64095
   R55        2.73688  -0.00006   0.00009  -0.00041  -0.00032   2.73657
   R56        2.64476  -0.00005  -0.00003  -0.00011  -0.00014   2.64462
   R57        2.67916  -0.00008  -0.00003  -0.00029  -0.00032   2.67884
   R58        2.64470  -0.00004  -0.00006   0.00002  -0.00004   2.64467
   R59        2.64116  -0.00001  -0.00002   0.00007   0.00005   2.64121
   R60        2.68004  -0.00011   0.00011  -0.00051  -0.00039   2.67965
   R61        2.64065  -0.00003   0.00003  -0.00009  -0.00006   2.64059
   R62        2.73689  -0.00007  -0.00000  -0.00020  -0.00020   2.73670
   R63        2.64522  -0.00007  -0.00007  -0.00003  -0.00010   2.64512
   R64        2.68017  -0.00005   0.00004  -0.00023  -0.00019   2.67998
   R65        2.64497  -0.00004   0.00003  -0.00012  -0.00009   2.64489
   R66        2.64073   0.00004   0.00012   0.00008   0.00020   2.64093
   R67        2.63007  -0.00007   0.00005  -0.00021  -0.00016   2.62991
   R68        2.05255   0.00001   0.00003   0.00002   0.00004   2.05260
   R69        2.65489  -0.00004   0.00001  -0.00007  -0.00005   2.65483
   R70        2.05144  -0.00002   0.00000  -0.00003  -0.00002   2.05141
   R71        2.63359  -0.00005  -0.00002  -0.00005  -0.00007   2.63352
   R72        2.05227   0.00004  -0.00005   0.00034   0.00029   2.05256
   R73        2.04898  -0.00001   0.00004  -0.00010  -0.00005   2.04892
   R74        2.63294  -0.00002   0.00006  -0.00016  -0.00010   2.63284
   R75        2.04913  -0.00004  -0.00007   0.00005  -0.00002   2.04911
   R76        2.65525  -0.00004  -0.00000  -0.00003  -0.00003   2.65522
   R77        2.05209   0.00001   0.00002   0.00005   0.00008   2.05216
   R78        2.62983  -0.00008   0.00005  -0.00027  -0.00022   2.62962
   R79        2.05146  -0.00001  -0.00000  -0.00000  -0.00001   2.05145
   R80        2.05263  -0.00000   0.00001  -0.00001   0.00001   2.05264
   R81        2.62986  -0.00004   0.00007  -0.00020  -0.00013   2.62973
   R82        2.05266   0.00000  -0.00011   0.00025   0.00014   2.05280
   R83        2.65468  -0.00007  -0.00005  -0.00011  -0.00016   2.65452
   R84        2.05133   0.00002   0.00001   0.00008   0.00009   2.05143
   R85        2.63274  -0.00002   0.00011  -0.00019  -0.00008   2.63266
   R86        2.05204   0.00001   0.00001   0.00009   0.00010   2.05214
   R87        2.04844   0.00001   0.00008  -0.00008  -0.00001   2.04843
   R88        2.63282  -0.00001   0.00000   0.00004   0.00004   2.63286
   R89        2.04858  -0.00000   0.00010  -0.00009   0.00001   2.04858
   R90        2.65508  -0.00010   0.00001  -0.00031  -0.00030   2.65477
   R91        2.05214  -0.00000   0.00002  -0.00002  -0.00000   2.05214
   R92        2.62975  -0.00009  -0.00003  -0.00016  -0.00018   2.62957
   R93        2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05144
   R94        2.05265   0.00000   0.00001  -0.00001   0.00001   2.05266
   R95        2.63002  -0.00004  -0.00002  -0.00007  -0.00009   2.62994
   R96        2.05276  -0.00001  -0.00000   0.00003   0.00002   2.05278
   R97        2.65546  -0.00006   0.00003  -0.00020  -0.00017   2.65529
   R98        2.05144   0.00001   0.00001   0.00005   0.00006   2.05151
   R99        2.63286  -0.00003  -0.00004   0.00000  -0.00004   2.63282
   R100       2.05228   0.00001  -0.00000   0.00009   0.00009   2.05238
   R101       2.04932  -0.00001   0.00004  -0.00006  -0.00002   2.04930
   R102       2.63273  -0.00007  -0.00003  -0.00010  -0.00014   2.63259
   R103       2.04916  -0.00002   0.00002  -0.00014  -0.00011   2.04904
   R104       2.65562  -0.00005   0.00000  -0.00010  -0.00009   2.65552
   R105       2.05219   0.00001   0.00003   0.00000   0.00004   2.05223
   R106       2.62975  -0.00005   0.00001  -0.00015  -0.00014   2.62962
   R107       2.05155  -0.00003  -0.00004  -0.00005  -0.00009   2.05146
   R108       2.05265   0.00003   0.00004   0.00009   0.00013   2.05278
   R109       2.78578   0.00000   0.00019  -0.00021  -0.00003   2.78575
   R110       3.02586   0.00016  -0.00054   0.00081   0.00027   3.02613
   R111       3.04139  -0.00024  -0.00002  -0.00041  -0.00043   3.04095
   R112       2.76897   0.00135  -0.00108   0.00547   0.00439   2.77336
   R113       2.75960   0.00007   0.00070   0.00017   0.00087   2.76048
   R114       2.86331  -0.00012  -0.00001  -0.00102  -0.00103   2.86228
   R115       2.06198   0.00007  -0.00019  -0.00087  -0.00106   2.06092
   R116       2.06708  -0.00003  -0.00002  -0.00019  -0.00021   2.06687
   R117       2.06907  -0.00003   0.00004  -0.00014  -0.00010   2.06898
   R118       2.06664   0.00000  -0.00017   0.00040   0.00024   2.06688
   R119       2.06484   0.00002   0.00013  -0.00008   0.00005   2.06489
   R120       2.86843  -0.00005  -0.00052   0.00056   0.00004   2.86847
   R121       2.06534  -0.00017  -0.00021  -0.00012  -0.00034   2.06500
   R122       2.06803   0.00010  -0.00046   0.00108   0.00062   2.06865
   R123       2.06934   0.00003  -0.00004   0.00012   0.00008   2.06942
   R124       2.06447  -0.00003   0.00029  -0.00074  -0.00045   2.06402
   R125       2.06669   0.00005  -0.00012   0.00052   0.00040   2.06709
   R126       5.38653  -0.00032  -0.03102   0.01902  -0.01201   5.37453
    A1        2.09009  -0.00013   0.00006  -0.00096  -0.00091   2.08919
    A2        2.09415   0.00005   0.00007   0.00019   0.00026   2.09440
    A3        2.09893   0.00008  -0.00013   0.00078   0.00065   2.09958
    A4        2.10987   0.00004  -0.00011   0.00057   0.00046   2.11033
    A5        2.06998  -0.00006   0.00027  -0.00093  -0.00066   2.06932
    A6        2.10314   0.00001  -0.00018   0.00035   0.00017   2.10331
    A7        2.07532   0.00009   0.00010   0.00035   0.00045   2.07576
    A8        2.14200  -0.00014  -0.00017  -0.00015  -0.00032   2.14169
    A9        2.06241   0.00005   0.00014  -0.00044  -0.00031   2.06210
   A10        2.09150  -0.00011   0.00003  -0.00086  -0.00083   2.09068
   A11        2.09507   0.00018  -0.00014   0.00073   0.00059   2.09566
   A12        2.09608  -0.00008   0.00014   0.00021   0.00036   2.09644
   A13        2.10727   0.00011   0.00002   0.00062   0.00063   2.10791
   A14        2.06753  -0.00008   0.00004  -0.00055  -0.00051   2.06703
   A15        2.10837  -0.00003  -0.00006  -0.00007  -0.00013   2.10824
   A16        2.09003  -0.00001  -0.00013   0.00021   0.00009   2.09012
   A17        2.08780   0.00007   0.00020   0.00044   0.00064   2.08844
   A18        2.10534  -0.00006  -0.00007  -0.00066  -0.00073   2.10461
   A19        2.09674  -0.00004  -0.00014  -0.00047  -0.00063   2.09610
   A20        2.10122   0.00004   0.00028   0.00027   0.00055   2.10178
   A21        2.07957   0.00000  -0.00002  -0.00020  -0.00022   2.07934
   A22        2.07218  -0.00018  -0.00032  -0.00101  -0.00135   2.07083
   A23        2.06887   0.00009   0.00024   0.00042   0.00067   2.06954
   A24        2.13721   0.00011   0.00027   0.00064   0.00092   2.13813
   A25        1.94970  -0.00006  -0.00098  -0.00209  -0.00310   1.94660
   A26        2.05903  -0.00026  -0.00146  -0.00091  -0.00241   2.05663
   A27        2.01907   0.00017  -0.00028   0.00023  -0.00007   2.01901
   A28        2.02951  -0.00008  -0.00075  -0.00059  -0.00134   2.02817
   A29        2.08123   0.00024   0.00034   0.00191   0.00226   2.08349
   A30        2.16960  -0.00016   0.00058  -0.00137  -0.00078   2.16882
   A31        2.11913  -0.00004  -0.00015  -0.00016  -0.00031   2.11882
   A32        2.09492   0.00010   0.00031   0.00078   0.00109   2.09601
   A33        2.06858  -0.00006  -0.00019  -0.00061  -0.00079   2.06779
   A34        2.07994   0.00005   0.00017   0.00016   0.00034   2.08028
   A35        2.10064  -0.00016  -0.00060  -0.00046  -0.00105   2.09958
   A36        2.10186   0.00011   0.00038   0.00031   0.00070   2.10256
   A37        2.09187  -0.00006  -0.00012  -0.00010  -0.00022   2.09165
   A38        2.09087   0.00007  -0.00013   0.00078   0.00066   2.09152
   A39        2.10006  -0.00001   0.00025  -0.00072  -0.00047   2.09959
   A40        2.12223  -0.00004  -0.00014  -0.00028  -0.00042   2.12181
   A41        2.10031  -0.00004  -0.00081   0.00071  -0.00010   2.10022
   A42        2.05914   0.00008   0.00093  -0.00040   0.00053   2.05967
   A43        2.08132  -0.00028  -0.00038   0.00041   0.00001   2.08133
   A44        2.05888  -0.00002  -0.00089  -0.00197  -0.00291   2.05596
   A45        2.07871   0.00035   0.00055   0.00190   0.00241   2.08112
   A46        2.07654  -0.00000   0.00045  -0.00110  -0.00064   2.07590
   A47        2.14975  -0.00005  -0.00116   0.00135   0.00019   2.14993
   A48        2.05606   0.00005   0.00059  -0.00004   0.00054   2.05660
   A49        2.14095   0.00017  -0.00011   0.00060   0.00049   2.14143
   A50        2.10512  -0.00019  -0.00037  -0.00065  -0.00102   2.10410
   A51        2.03680   0.00002   0.00049   0.00010   0.00060   2.03740
   A52        2.07723   0.00009  -0.00023   0.00114   0.00090   2.07813
   A53        2.11180   0.00005  -0.00019   0.00006  -0.00013   2.11167
   A54        2.10636  -0.00012   0.00010  -0.00122  -0.00112   2.10524
   A55        2.06500   0.00007   0.00009   0.00117   0.00127   2.06627
   A56        2.11388   0.00004  -0.00041   0.00097   0.00057   2.11444
   A57        2.08405  -0.00005   0.00040  -0.00116  -0.00076   2.08329
   A58        2.08526   0.00002   0.00001   0.00018   0.00019   2.08545
   A59        2.06821  -0.00004   0.00047  -0.00109  -0.00062   2.06758
   A60        2.10455   0.00001   0.00017  -0.00015   0.00003   2.10458
   A61        2.11042   0.00003  -0.00064   0.00124   0.00060   2.11102
   A62        2.11083   0.00009  -0.00011   0.00086   0.00075   2.11158
   A63        2.05380  -0.00020   0.00027  -0.00264  -0.00236   2.05144
   A64        2.11853   0.00011  -0.00017   0.00179   0.00161   2.12014
   A65        2.19572   0.00002  -0.00011   0.00022   0.00011   2.19583
   A66        2.19665   0.00008   0.00005   0.00034   0.00039   2.19705
   A67        1.89080  -0.00010   0.00007  -0.00056  -0.00050   1.89030
   A68        2.19043   0.00007   0.00042  -0.00007   0.00034   2.19077
   A69        2.20093  -0.00003  -0.00036   0.00026  -0.00010   2.20083
   A70        1.89163  -0.00004  -0.00000  -0.00018  -0.00018   1.89145
   A71        2.19604   0.00003  -0.00009   0.00031   0.00023   2.19627
   A72        2.19494   0.00001   0.00003  -0.00002   0.00003   2.19497
   A73        1.89220  -0.00005   0.00004  -0.00030  -0.00026   1.89195
   A74        1.90032   0.00001   0.00002   0.00008   0.00010   1.90041
   A75        2.25868   0.00002  -0.00008   0.00017   0.00009   2.25877
   A76        2.12364  -0.00003   0.00007  -0.00029  -0.00022   2.12342
   A77        1.86637  -0.00001  -0.00001  -0.00004  -0.00005   1.86632
   A78        2.08584   0.00003  -0.00005   0.00024   0.00019   2.08603
   A79        2.33091  -0.00002   0.00006  -0.00021  -0.00014   2.33077
   A80        1.86639   0.00003   0.00001   0.00008   0.00009   1.86647
   A81        2.33028  -0.00003   0.00007  -0.00020  -0.00014   2.33014
   A82        2.08641   0.00000  -0.00007   0.00013   0.00006   2.08647
   A83        1.90006   0.00001  -0.00001   0.00007   0.00006   1.90012
   A84        2.26144  -0.00001  -0.00012   0.00017   0.00004   2.26148
   A85        2.12088   0.00001   0.00012  -0.00023  -0.00011   2.12077
   A86        1.90060   0.00001  -0.00014   0.00026   0.00012   1.90071
   A87        2.26007   0.00011   0.00024   0.00040   0.00064   2.26071
   A88        2.12193  -0.00012  -0.00015  -0.00066  -0.00081   2.12112
   A89        1.86647   0.00005   0.00009   0.00004   0.00014   1.86661
   A90        2.08652   0.00006   0.00012   0.00041   0.00053   2.08704
   A91        2.33012  -0.00012  -0.00024  -0.00046  -0.00069   2.32944
   A92        1.86625   0.00006   0.00005   0.00014   0.00019   1.86645
   A93        2.33006  -0.00010  -0.00010  -0.00051  -0.00061   2.32945
   A94        2.08685   0.00004   0.00005   0.00036   0.00041   2.08726
   A95        1.90065  -0.00001  -0.00007   0.00011   0.00005   1.90070
   A96        2.26226   0.00006   0.00006   0.00036   0.00042   2.26268
   A97        2.11980  -0.00005   0.00001  -0.00052  -0.00051   2.11929
   A98        1.90097  -0.00003  -0.00001  -0.00011  -0.00012   1.90085
   A99        2.25894   0.00004   0.00015   0.00009   0.00024   2.25918
   A100       2.12293  -0.00001  -0.00012   0.00001  -0.00011   2.12282
   A101       1.86529   0.00005  -0.00003   0.00028   0.00025   1.86554
   A102       2.08548   0.00001   0.00006   0.00003   0.00009   2.08557
   A103       2.33238  -0.00005  -0.00004  -0.00031  -0.00035   2.33203
   A104       1.86527   0.00001   0.00002  -0.00006  -0.00004   1.86523
   A105       2.33277  -0.00005  -0.00018  -0.00006  -0.00024   2.33253
   A106       2.08511   0.00004   0.00015   0.00012   0.00027   2.08538
   A107       1.90104   0.00002  -0.00002   0.00019   0.00017   1.90121
   A108       2.25902   0.00003   0.00017  -0.00002   0.00015   2.25918
   A109       2.12280  -0.00006  -0.00018  -0.00017  -0.00035   2.12245
   A110       2.08020   0.00001   0.00001   0.00007   0.00007   2.08027
   A111       2.10009  -0.00002  -0.00011  -0.00007  -0.00018   2.09991
   A112       2.10289   0.00001   0.00010  -0.00000   0.00010   2.10298
   A113       2.10408  -0.00002  -0.00001  -0.00012  -0.00013   2.10395
   A114       2.09167   0.00001   0.00009   0.00001   0.00010   2.09177
   A115       2.08741   0.00000  -0.00007   0.00010   0.00002   2.08743
   A116       2.11911   0.00003   0.00006   0.00007   0.00013   2.11924
   A117       2.08580  -0.00001  -0.00001  -0.00001  -0.00002   2.08578
   A118       2.07826  -0.00002  -0.00006  -0.00006  -0.00012   2.07814
   A119       2.05543  -0.00003  -0.00012   0.00007  -0.00005   2.05537
   A120       2.11878   0.00001  -0.00001  -0.00005  -0.00007   2.11871
   A121       2.10891   0.00002   0.00014  -0.00005   0.00009   2.10900
   A122       2.05286  -0.00001  -0.00004   0.00007   0.00003   2.05289
   A123       2.11897   0.00003   0.00010   0.00006   0.00016   2.11913
   A124       2.11130  -0.00002  -0.00005  -0.00013  -0.00018   2.11111
   A125       2.12016   0.00001  -0.00002   0.00013   0.00011   2.12027
   A126       2.07749   0.00001   0.00010   0.00004   0.00013   2.07763
   A127       2.08552  -0.00003  -0.00008  -0.00016  -0.00024   2.08527
   A128       2.10464  -0.00001   0.00003  -0.00015  -0.00012   2.10452
   A129       2.08705   0.00001   0.00001   0.00004   0.00004   2.08709
   A130       2.09147   0.00001  -0.00004   0.00012   0.00008   2.09155
   A131       2.07903   0.00001   0.00001   0.00000   0.00001   2.07904
   A132       2.10078  -0.00002  -0.00006  -0.00014  -0.00020   2.10058
   A133       2.10336   0.00001   0.00005   0.00014   0.00019   2.10355
   A134       2.08033  -0.00001  -0.00003  -0.00003  -0.00006   2.08026
   A135       2.09978  -0.00001  -0.00005  -0.00005  -0.00010   2.09968
   A136       2.10308   0.00001   0.00008   0.00008   0.00016   2.10324
   A137       2.10373  -0.00001   0.00001  -0.00016  -0.00015   2.10358
   A138       2.09194   0.00001   0.00004   0.00013   0.00017   2.09211
   A139       2.08751  -0.00000  -0.00006   0.00003  -0.00002   2.08749
   A140       2.11896   0.00000  -0.00001   0.00005   0.00004   2.11900
   A141       2.08758   0.00002   0.00009   0.00012   0.00022   2.08779
   A142       2.07665  -0.00002  -0.00009  -0.00017  -0.00026   2.07639
   A143       2.05650   0.00002  -0.00002   0.00028   0.00025   2.05675
   A144       2.11963   0.00002   0.00013   0.00017   0.00030   2.11993
   A145       2.10704  -0.00004  -0.00011  -0.00044  -0.00055   2.10649
   A146       2.05418   0.00004   0.00003   0.00034   0.00037   2.05455
   A147       2.11907   0.00002   0.00008   0.00015   0.00024   2.11930
   A148       2.10989  -0.00006  -0.00012  -0.00049  -0.00061   2.10928
   A149       2.11992   0.00002   0.00005   0.00008   0.00013   2.12006
   A150       2.07792  -0.00003  -0.00021  -0.00012  -0.00033   2.07759
   A151       2.08533   0.00001   0.00016   0.00004   0.00020   2.08553
   A152       2.10417  -0.00003  -0.00005  -0.00025  -0.00030   2.10386
   A153       2.08726   0.00001  -0.00003   0.00018   0.00015   2.08741
   A154       2.09174   0.00002   0.00008   0.00007   0.00015   2.09189
   A155       2.07941   0.00003  -0.00000   0.00008   0.00008   2.07949
   A156       2.10028  -0.00001  -0.00008   0.00003  -0.00004   2.10023
   A157       2.10347  -0.00001   0.00008  -0.00011  -0.00003   2.10344
   A158       2.08007  -0.00000  -0.00003   0.00002  -0.00002   2.08005
   A159       2.10036  -0.00001  -0.00011   0.00001  -0.00009   2.10027
   A160       2.10274   0.00001   0.00014  -0.00003   0.00011   2.10285
   A161       2.10453  -0.00000  -0.00005  -0.00002  -0.00006   2.10447
   A162       2.09172  -0.00001   0.00002  -0.00012  -0.00010   2.09162
   A163       2.08692   0.00001   0.00003   0.00013   0.00016   2.08709
   A164       2.11939   0.00001   0.00007  -0.00003   0.00003   2.11942
   A165       2.08524  -0.00002  -0.00008  -0.00006  -0.00014   2.08510
   A166       2.07855   0.00001   0.00001   0.00010   0.00011   2.07866
   A167       2.05433   0.00001   0.00005   0.00008   0.00013   2.05447
   A168       2.11731   0.00000   0.00006  -0.00005   0.00001   2.11732
   A169       2.11152  -0.00002  -0.00012  -0.00003  -0.00015   2.11137
   A170       2.05392   0.00000   0.00004   0.00003   0.00006   2.05398
   A171       2.11764  -0.00000   0.00003  -0.00002   0.00001   2.11765
   A172       2.11163  -0.00000  -0.00006  -0.00001  -0.00007   2.11156
   A173       2.11970   0.00001   0.00008  -0.00003   0.00005   2.11975
   A174       2.07834  -0.00002  -0.00012   0.00003  -0.00009   2.07826
   A175       2.08514   0.00000   0.00004  -0.00001   0.00004   2.08518
   A176       2.10471  -0.00004  -0.00010  -0.00008  -0.00018   2.10453
   A177       2.08687   0.00002   0.00007   0.00001   0.00008   2.08695
   A178       2.09159   0.00002   0.00002   0.00007   0.00010   2.09169
   A179       2.07953   0.00003   0.00006   0.00003   0.00009   2.07962
   A180       2.10063  -0.00003  -0.00012  -0.00010  -0.00022   2.10040
   A181       2.10303   0.00001   0.00007   0.00006   0.00013   2.10316
   A182       2.01875   0.00018   0.00054  -0.00390  -0.00336   2.01539
   A183       1.83236   0.00139   0.00193   0.00437   0.00631   1.83867
   A184       1.71747  -0.00085   0.00206  -0.00209  -0.00002   1.71745
   A185       2.02875  -0.00036  -0.00055  -0.00128  -0.00182   2.02693
   A186       2.03856  -0.00012  -0.00285   0.00366   0.00081   2.03937
   A187       1.78615  -0.00022  -0.00062  -0.00039  -0.00099   1.78516
   A188       2.12419   0.00267   0.00278  -0.00716  -0.00437   2.11982
   A189       2.07831  -0.00045  -0.00314  -0.00024  -0.00338   2.07493
   A190       1.89578  -0.00030   0.00062   0.00048   0.00110   1.89689
   A191       1.90608   0.00137   0.00076  -0.00485  -0.00409   1.90200
   A192       1.85218  -0.00060   0.00012  -0.00275  -0.00263   1.84955
   A193       1.95049  -0.00024  -0.00076   0.00368   0.00292   1.95340
   A194       1.95321   0.00032  -0.00042   0.00111   0.00068   1.95390
   A195       1.90306  -0.00052  -0.00023   0.00179   0.00155   1.90461
   A196       1.90878  -0.00004  -0.00053  -0.00002  -0.00055   1.90823
   A197       1.94005   0.00003   0.00037  -0.00006   0.00031   1.94036
   A198       1.92996   0.00005   0.00084  -0.00062   0.00022   1.93017
   A199       1.89194  -0.00000  -0.00005  -0.00011  -0.00015   1.89179
   A200       1.89084  -0.00003  -0.00039  -0.00028  -0.00067   1.89017
   A201       1.90122  -0.00001  -0.00029   0.00110   0.00081   1.90204
   A202       1.93880  -0.00006  -0.00659   0.01102   0.00445   1.94326
   A203       1.82663   0.00000   0.00381  -0.00616  -0.00235   1.82427
   A204       1.90807   0.00002   0.00343  -0.00667  -0.00315   1.90492
   A205       1.95030   0.00004   0.00182  -0.00301  -0.00121   1.94909
   A206       1.95007  -0.00001  -0.00395   0.00596   0.00204   1.95210
   A207       1.88514   0.00000   0.00213  -0.00238  -0.00023   1.88490
   A208       1.91347  -0.00004   0.00161  -0.00368  -0.00207   1.91141
   A209       1.93074  -0.00002  -0.00299   0.00585   0.00286   1.93360
   A210       1.93038   0.00005   0.00130  -0.00147  -0.00017   1.93021
   A211       1.89768   0.00004  -0.00190   0.00379   0.00189   1.89957
   A212       1.88862  -0.00000   0.00066  -0.00116  -0.00049   1.88813
   A213       1.90213  -0.00003   0.00133  -0.00338  -0.00206   1.90007
   A214       2.23104   0.00234   0.01963  -0.03060  -0.01096   2.22008
    D1       -0.00183   0.00002  -0.00003   0.00098   0.00095  -0.00088
    D2        3.11892  -0.00002  -0.00133   0.00037  -0.00096   3.11796
    D3        3.13261   0.00003  -0.00012   0.00144   0.00132   3.13393
    D4       -0.02982  -0.00002  -0.00143   0.00083  -0.00059  -0.03041
    D5       -0.03757  -0.00002  -0.00010  -0.00097  -0.00107  -0.03864
    D6        3.11022  -0.00003  -0.00045  -0.00133  -0.00178   3.10844
    D7        3.11119  -0.00002  -0.00001  -0.00143  -0.00144   3.10976
    D8       -0.02421  -0.00003  -0.00036  -0.00179  -0.00215  -0.02635
    D9        2.24359   0.00012   0.00234   0.00575   0.00809   2.25168
   D10       -0.89186   0.00011   0.00195   0.00547   0.00742  -0.88444
   D11       -0.90519   0.00012   0.00224   0.00621   0.00845  -0.89674
   D12        2.24254   0.00011   0.00186   0.00593   0.00778   2.25032
   D13        0.05563   0.00001   0.00035   0.00019   0.00054   0.05617
   D14       -2.99502   0.00004  -0.00043   0.00331   0.00289  -2.99214
   D15       -3.06473   0.00006   0.00168   0.00082   0.00250  -3.06223
   D16        0.16780   0.00009   0.00089   0.00395   0.00485   0.17265
   D17       -0.07051  -0.00004  -0.00055  -0.00132  -0.00186  -0.07237
   D18        3.03591   0.00004   0.00090   0.00154   0.00244   3.03836
   D19        2.98431  -0.00008   0.00019  -0.00428  -0.00410   2.98021
   D20       -0.19245   0.00000   0.00163  -0.00143   0.00020  -0.19225
   D21       -2.91127  -0.00010   0.00048  -0.00553  -0.00505  -2.91632
   D22        0.34543  -0.00009  -0.00059  -0.00143  -0.00202   0.34341
   D23        0.32063  -0.00006  -0.00029  -0.00247  -0.00276   0.31787
   D24       -2.70585  -0.00006  -0.00136   0.00163   0.00027  -2.70559
   D25        0.03220   0.00004   0.00041   0.00134   0.00176   0.03396
   D26       -3.11331   0.00003   0.00040   0.00130   0.00170  -3.11160
   D27       -3.07420  -0.00005  -0.00103  -0.00153  -0.00255  -3.07676
   D28        0.06347  -0.00006  -0.00104  -0.00157  -0.00261   0.06086
   D29       -0.34757  -0.00014  -0.00353  -0.00039  -0.00392  -0.35149
   D30        2.87156  -0.00018  -0.00614   0.00038  -0.00577   2.86579
   D31        2.75877  -0.00005  -0.00208   0.00246   0.00038   2.75914
   D32       -0.30530  -0.00009  -0.00469   0.00322  -0.00147  -0.30677
   D33        0.02229  -0.00001  -0.00009  -0.00019  -0.00028   0.02200
   D34       -3.12556  -0.00000   0.00026   0.00018   0.00044  -3.12512
   D35       -3.11530  -0.00000  -0.00008  -0.00015  -0.00022  -3.11552
   D36        0.02004   0.00001   0.00028   0.00022   0.00050   0.02053
   D37        0.11023   0.00013   0.00092   0.00743   0.00836   0.11859
   D38       -2.92754   0.00003  -0.00108   0.00683   0.00575  -2.92180
   D39        3.13814   0.00012   0.00200   0.00341   0.00542  -3.13963
   D40        0.10036   0.00002  -0.00000   0.00281   0.00281   0.10317
   D41        2.98369  -0.00004   0.00134  -0.00780  -0.00647   2.97722
   D42       -0.12142  -0.00004   0.00209  -0.00814  -0.00606  -0.12748
   D43       -0.04392  -0.00003   0.00028  -0.00373  -0.00344  -0.04736
   D44        3.13416  -0.00003   0.00103  -0.00406  -0.00303   3.13113
   D45       -0.62263  -0.00019  -0.00256  -0.00838  -0.01092  -0.63355
   D46       -3.02602  -0.00009   0.00088  -0.00511  -0.00424  -3.03027
   D47        2.41086  -0.00009  -0.00047  -0.00777  -0.00823   2.40263
   D48        0.00747   0.00001   0.00297  -0.00451  -0.00155   0.00592
   D49       -0.08235   0.00000   0.00002  -0.00068  -0.00066  -0.08301
   D50        2.99920  -0.00000  -0.00050   0.00000  -0.00050   2.99870
   D51       -3.11604  -0.00009  -0.00203  -0.00120  -0.00323  -3.11927
   D52       -0.03449  -0.00009  -0.00255  -0.00052  -0.00307  -0.03756
   D53        0.73636   0.00018   0.00376   0.00470   0.00844   0.74480
   D54       -2.48714   0.00024   0.00650   0.00406   0.01054  -2.47660
   D55       -3.12537  -0.00011  -0.00014   0.00103   0.00090  -3.12448
   D56       -0.06569  -0.00004   0.00260   0.00039   0.00299  -0.06269
   D57        2.42753  -0.00004  -0.00308   0.00226  -0.00082   2.42671
   D58       -1.09458   0.00022  -0.00534   0.00364  -0.00170  -1.09628
   D59        0.05265   0.00017   0.00080   0.00663   0.00742   0.06008
   D60        2.81373   0.00042  -0.00147   0.00800   0.00655   2.82027
   D61        3.10304  -0.00003  -0.00040  -0.00595  -0.00635   3.09669
   D62        0.04562  -0.00008  -0.00318  -0.00518  -0.00835   0.03727
   D63       -0.03375   0.00002  -0.00055   0.00245   0.00190  -0.03185
   D64       -3.13403   0.00003   0.00052   0.00195   0.00248  -3.13155
   D65        3.07190   0.00002  -0.00128   0.00281   0.00153   3.07343
   D66       -0.02839   0.00004  -0.00020   0.00231   0.00211  -0.02628
   D67        0.05350   0.00000   0.00056  -0.00024   0.00031   0.05381
   D68       -3.05793   0.00002   0.00013   0.00122   0.00136  -3.05657
   D69       -3.12943  -0.00002  -0.00055   0.00023  -0.00031  -3.12974
   D70        0.04233   0.00000  -0.00097   0.00170   0.00073   0.04306
   D71       -2.22826  -0.00006  -0.00181  -0.00128  -0.00308  -2.23134
   D72        0.88952  -0.00001   0.00164  -0.00128   0.00035   0.88987
   D73        0.95516  -0.00004  -0.00071  -0.00178  -0.00248   0.95268
   D74       -2.21025   0.00000   0.00273  -0.00178   0.00095  -2.20930
   D75        0.00509  -0.00001  -0.00030  -0.00062  -0.00093   0.00416
   D76       -3.07783  -0.00000   0.00027  -0.00133  -0.00106  -3.07889
   D77        3.11635  -0.00003   0.00011  -0.00207  -0.00196   3.11439
   D78        0.03343  -0.00002   0.00068  -0.00278  -0.00209   0.03134
   D79       -0.02666  -0.00017  -0.00336  -0.00864  -0.01200  -0.03866
   D80       -3.12332  -0.00018   0.00006  -0.01435  -0.01429  -3.13760
   D81       -2.78339  -0.00034  -0.00077  -0.00918  -0.00994  -2.79333
   D82        0.40314  -0.00035   0.00266  -0.01489  -0.01222   0.39091
   D83        0.16275   0.00026  -0.00056   0.00546   0.00489   0.16764
   D84       -2.09789  -0.00057  -0.00187   0.00638   0.00449  -2.09339
   D85        2.34819  -0.00039  -0.00235   0.00647   0.00412   2.35232
   D86        2.92441   0.00037  -0.00302   0.00650   0.00347   2.92788
   D87        0.66377  -0.00046  -0.00434   0.00742   0.00308   0.66685
   D88       -1.17334  -0.00028  -0.00481   0.00751   0.00271  -1.17062
   D89        0.00450   0.00005   0.00298   0.00392   0.00690   0.01140
   D90       -3.10884   0.00006   0.00232   0.00155   0.00387  -3.10496
   D91        3.10358   0.00006  -0.00031   0.00936   0.00905   3.11263
   D92       -0.00976   0.00006  -0.00097   0.00699   0.00603  -0.00373
   D93        3.12711  -0.00004  -0.00218  -0.00103  -0.00321   3.12390
   D94       -0.02177  -0.00001  -0.00086   0.00166   0.00080  -0.02097
   D95        0.02995  -0.00005   0.00121  -0.00665  -0.00544   0.02451
   D96       -3.11892  -0.00002   0.00253  -0.00396  -0.00143  -3.12035
   D97       -0.01403   0.00008   0.00034   0.00302   0.00336  -0.01067
   D98        3.10035   0.00007   0.00096   0.00528   0.00625   3.10659
   D99       -0.01468  -0.00004   0.00021  -0.00342  -0.00321  -0.01789
   D100       3.11878  -0.00006  -0.00076  -0.00204  -0.00279   3.11599
   D101      -3.12965  -0.00004  -0.00040  -0.00566  -0.00606  -3.13571
   D102       0.00381  -0.00005  -0.00137  -0.00427  -0.00564  -0.00183
   D103      -0.02633   0.00001  -0.00069   0.00268   0.00199  -0.02434
   D104       3.11470  -0.00002  -0.00126   0.00176   0.00050   3.11520
   D105       3.12238  -0.00002  -0.00198   0.00007  -0.00192   3.12046
   D106      -0.01977  -0.00005  -0.00255  -0.00085  -0.00341  -0.02318
   D107       0.00138   0.00001  -0.00009   0.00112   0.00103   0.00241
   D108      -3.13991   0.00003   0.00086   0.00015   0.00101  -3.13890
   D109      -3.13965   0.00004   0.00048   0.00204   0.00252  -3.13713
   D110       0.00224   0.00006   0.00143   0.00107   0.00250   0.00475
   D111       0.01888   0.00000   0.00033  -0.00073  -0.00039   0.01848
   D112      -3.11428   0.00002   0.00133  -0.00214  -0.00081  -3.11509
   D113      -3.12302  -0.00001  -0.00062   0.00024  -0.00038  -3.12340
   D114       0.02701   0.00001   0.00038  -0.00117  -0.00079   0.02622
   D115      -2.16799  -0.00008  -0.00011  -0.00375  -0.00386  -2.17185
   D116       0.97401  -0.00012  -0.00545  -0.00093  -0.00639   0.96763
   D117       0.97391  -0.00006   0.00087  -0.00474  -0.00387   0.97004
   D118      -2.16727  -0.00011  -0.00448  -0.00192  -0.00640  -2.17367
   D119      -3.13823  -0.00002  -0.00071  -0.00049  -0.00119  -3.13943
   D120      -0.03367  -0.00006  -0.00224  -0.00056  -0.00280  -0.03647
   D121      -0.00188  -0.00002  -0.00038  -0.00024  -0.00062  -0.00250
   D122       3.10268  -0.00005  -0.00191  -0.00032  -0.00222   3.10046
   D123       3.13945   0.00002   0.00069   0.00036   0.00105   3.14050
   D124      -0.03529  -0.00001   0.00080  -0.00121  -0.00041  -0.03570
   D125       0.00311   0.00001   0.00036   0.00011   0.00047   0.00358
   D126       3.11155  -0.00001   0.00047  -0.00146  -0.00099   3.11057
   D127       3.12038   0.00004   0.00282  -0.00032   0.00250   3.12287
   D128       0.01445   0.00006   0.00278   0.00095   0.00372   0.01817
   D129      -0.00094   0.00000  -0.00011  -0.00032  -0.00043  -0.00137
   D130      -3.10686   0.00002  -0.00015   0.00095   0.00080  -3.10607
   D131      -3.12175  -0.00004  -0.00276   0.00036  -0.00241  -3.12416
   D132       0.06310  -0.00002  -0.00245   0.00040  -0.00205   0.06105
   D133      -0.00059   0.00000   0.00019   0.00035   0.00054  -0.00005
   D134      -3.09893   0.00002   0.00050   0.00040   0.00090  -3.09803
   D135       3.13860  -0.00004  -0.00402   0.00188  -0.00214   3.13646
   D136       0.02513  -0.00003  -0.00448   0.00235  -0.00213   0.02300
   D137      -0.00334  -0.00000   0.00056  -0.00053   0.00002  -0.00332
   D138      -3.11682   0.00001   0.00009  -0.00006   0.00003  -3.11678
   D139      -3.13981   0.00004   0.00405  -0.00182   0.00223  -3.13758
   D140       0.02912   0.00007   0.00533  -0.00186   0.00346   0.03258
   D141       0.00213   0.00000  -0.00051   0.00059   0.00007   0.00221
   D142      -3.11212   0.00003   0.00076   0.00054   0.00130  -3.11082
   D143       0.00205  -0.00000  -0.00001   0.00016   0.00016   0.00221
   D144      -3.12944   0.00000  -0.00026   0.00100   0.00074  -3.12870
   D145       3.11127  -0.00002   0.00003  -0.00097  -0.00095   3.11032
   D146      -0.02023  -0.00001  -0.00022  -0.00014  -0.00036  -0.02059
   D147       3.12162  -0.00001   0.00020  -0.00137  -0.00117   3.12045
   D148      -0.00858  -0.00002  -0.00006  -0.00180  -0.00186  -0.01045
   D149       0.01969   0.00001   0.00015   0.00003   0.00018   0.01987
   D150      -3.11052  -0.00000  -0.00011  -0.00040  -0.00051  -3.11103
   D151      -0.00237   0.00000   0.00012   0.00005   0.00017  -0.00220
   D152       3.12257   0.00001   0.00047   0.00064   0.00111   3.12369
   D153       3.12709  -0.00000   0.00042  -0.00095  -0.00053   3.12656
   D154      -0.03115   0.00000   0.00077  -0.00036   0.00041  -0.03073
   D155       0.00599   0.00001   0.00007   0.00016   0.00023   0.00622
   D156       3.14120   0.00001   0.00024   0.00005   0.00029   3.14148
   D157      -3.12227   0.00002  -0.00025   0.00126   0.00100  -3.12127
   D158       0.01293   0.00002  -0.00009   0.00115   0.00106   0.01399
   D159       0.00184  -0.00000  -0.00019  -0.00024  -0.00043   0.00140
   D160       3.10432  -0.00002  -0.00048  -0.00028  -0.00076   3.10356
   D161      -3.12588  -0.00001  -0.00049  -0.00073  -0.00122  -3.12710
   D162      -0.02339  -0.00003  -0.00078  -0.00077  -0.00155  -0.02494
   D163      -3.11646   0.00001  -0.00000  -0.00005  -0.00005  -3.11651
   D164       0.02002  -0.00002  -0.00019  -0.00112  -0.00131   0.01872
   D165       0.00683   0.00002   0.00039   0.00060   0.00099   0.00782
   D166      -3.13987  -0.00001   0.00020  -0.00047  -0.00027  -3.14014
   D167       3.11630  -0.00001   0.00040  -0.00015   0.00025   3.11655
   D168      -0.01296   0.00003  -0.00016   0.00354   0.00338  -0.00958
   D169       0.02272   0.00001   0.00076  -0.00010   0.00065   0.02337
   D170      -3.10654   0.00005   0.00019   0.00358   0.00378  -3.10276
   D171      -0.00003   0.00001   0.00025   0.00027   0.00052   0.00049
   D172       3.13034  -0.00002  -0.00125   0.00016  -0.00109   3.12925
   D173      -3.10808   0.00004   0.00162   0.00032   0.00194  -3.10614
   D174       0.02229   0.00001   0.00012   0.00020   0.00033   0.02261
   D175      -3.12162   0.00003   0.00138   0.00008   0.00146  -3.12016
   D176       0.00954   0.00001   0.00079   0.00027   0.00105   0.01060
   D177      -0.02115  -0.00001  -0.00032   0.00002  -0.00030  -0.02145
   D178       3.11001  -0.00002  -0.00091   0.00020  -0.00071   3.10930
   D179       0.00190  -0.00000  -0.00003  -0.00020  -0.00023   0.00167
   D180      -3.13145   0.00001   0.00041  -0.00010   0.00031  -3.13114
   D181      -3.12624   0.00003   0.00176  -0.00007   0.00169  -3.12454
   D182       0.02360   0.00004   0.00221   0.00003   0.00223   0.02583
   D183      -0.00722   0.00000   0.00024  -0.00025  -0.00001  -0.00723
   D184       3.14102   0.00000   0.00009  -0.00020  -0.00011   3.14091
   D185       3.11958  -0.00004  -0.00173  -0.00040  -0.00213   3.11745
   D186      -0.01538  -0.00004  -0.00188  -0.00034  -0.00223  -0.01760
   D187      -0.00308  -0.00001  -0.00020   0.00006  -0.00015  -0.00323
   D188      -3.11475   0.00002  -0.00030   0.00145   0.00115  -3.11360
   D189       3.13163  -0.00002  -0.00057  -0.00003  -0.00060   3.13103
   D190       0.01997   0.00000  -0.00067   0.00136   0.00070   0.02067
   D191       3.12797  -0.00001   0.00005  -0.00050  -0.00045   3.12753
   D192      -0.01069  -0.00001   0.00015  -0.00076  -0.00061  -0.01130
   D193      -0.00455   0.00000   0.00053  -0.00039   0.00015  -0.00440
   D194       3.13997   0.00000   0.00063  -0.00064  -0.00001   3.13996
   D195      -3.12613   0.00002   0.00032   0.00011   0.00043  -3.12570
   D196       0.00910   0.00002  -0.00008   0.00119   0.00111   0.01020
   D197      -0.02130  -0.00001   0.00044  -0.00162  -0.00118  -0.02247
   D198       3.11393  -0.00001   0.00004  -0.00053  -0.00050   3.11343
   D199       0.00321  -0.00000  -0.00038   0.00027  -0.00011   0.00311
   D200      -3.13078   0.00001   0.00000   0.00035   0.00035  -3.13042
   D201       3.11929  -0.00001   0.00005  -0.00016  -0.00011   3.11918
   D202      -0.01469   0.00000   0.00043  -0.00008   0.00035  -0.01435
   D203       3.12385  -0.00000   0.00041  -0.00025   0.00016   3.12400
   D204      -0.01460  -0.00001   0.00043  -0.00047  -0.00004  -0.01464
   D205       0.01350   0.00000  -0.00011   0.00028   0.00017   0.01367
   D206      -3.12495   0.00000  -0.00009   0.00006  -0.00003  -3.12498
   D207      -0.00187   0.00000   0.00006   0.00009   0.00015  -0.00173
   D208       3.13060  -0.00003  -0.00140  -0.00022  -0.00162   3.12898
   D209       3.13057  -0.00001  -0.00040  -0.00000  -0.00040   3.13017
   D210      -0.02014  -0.00004  -0.00186  -0.00031  -0.00217  -0.02231
   D211       0.00531  -0.00001  -0.00057  -0.00020  -0.00077   0.00454
   D212      -3.14027  -0.00001  -0.00032  -0.00002  -0.00033  -3.14060
   D213      -3.12623   0.00000  -0.00006  -0.00010  -0.00016  -3.12640
   D214       0.01138   0.00001   0.00019   0.00008   0.00027   0.01165
   D215      -0.00013  -0.00000   0.00027  -0.00041  -0.00014  -0.00027
   D216       3.11666  -0.00002  -0.00087  -0.00037  -0.00124   3.11542
   D217      -3.13415   0.00002   0.00149  -0.00016   0.00134  -3.13281
   D218      -0.01735   0.00000   0.00034  -0.00011   0.00023  -0.01712
   D219      -3.12545   0.00002   0.00114   0.00034   0.00148  -3.12397
   D220       0.01068   0.00003   0.00139   0.00061   0.00200   0.01268
   D221       0.00612  -0.00001  -0.00047  -0.00000  -0.00047   0.00565
   D222      -3.14094  -0.00001  -0.00021   0.00027   0.00006  -3.14088
   D223       3.12725  -0.00002  -0.00141   0.00017  -0.00124   3.12601
   D224      -0.00601  -0.00002  -0.00152   0.00034  -0.00118  -0.00719
   D225       0.01603   0.00000  -0.00000   0.00012   0.00012   0.01614
   D226      -3.11724   0.00001  -0.00011   0.00028   0.00018  -3.11706
   D227       0.00935   0.00000  -0.00002   0.00041   0.00039   0.00974
   D228      -3.14060  -0.00001   0.00039  -0.00090  -0.00051  -3.14110
   D229      -3.12713   0.00003   0.00017   0.00148   0.00166  -3.12547
   D230       0.00611   0.00002   0.00058   0.00017   0.00075   0.00687
   D231      -0.00985  -0.00002   0.00001  -0.00132  -0.00131  -0.01116
   D232       3.12439  -0.00004  -0.00054  -0.00189  -0.00243   3.12196
   D233       3.14008  -0.00001  -0.00040  -0.00000  -0.00041   3.13967
   D234      -0.00887  -0.00003  -0.00095  -0.00057  -0.00152  -0.01040
   D235      -0.00618   0.00001  -0.00037   0.00113   0.00076  -0.00541
   D236       3.12315  -0.00003   0.00019  -0.00253  -0.00234   3.12081
   D237      -3.14045   0.00003   0.00018   0.00170   0.00188  -3.13857
   D238      -0.01112  -0.00001   0.00073  -0.00196  -0.00123  -0.01235
   D239      -0.00555   0.00000   0.00006   0.00007   0.00012  -0.00543
   D240      -3.14152  -0.00001  -0.00002  -0.00012  -0.00014   3.14153
   D241       3.12471   0.00001   0.00032   0.00049   0.00081   3.12552
   D242      -0.01126   0.00000   0.00024   0.00031   0.00054  -0.01071
   D243      -0.00816  -0.00000  -0.00020  -0.00005  -0.00025  -0.00841
   D244       3.14058  -0.00000   0.00014  -0.00042  -0.00028   3.14030
   D245       3.12778   0.00000  -0.00012   0.00014   0.00002   3.12779
   D246      -0.00666   0.00000   0.00022  -0.00023  -0.00001  -0.00668
   D247       0.00780  -0.00000   0.00013  -0.00006   0.00007   0.00786
   D248      -3.12740  -0.00000  -0.00003   0.00005   0.00002  -3.12738
   D249      -3.14096  -0.00000  -0.00021   0.00031   0.00010  -3.14087
   D250       0.00703  -0.00000  -0.00037   0.00042   0.00005   0.00707
   D251      -0.00863  -0.00001  -0.00020  -0.00028  -0.00048  -0.00911
   D252       3.13626  -0.00000   0.00046  -0.00094  -0.00048   3.13578
   D253       3.13003  -0.00001  -0.00029  -0.00002  -0.00032   3.12971
   D254      -0.00827  -0.00000   0.00036  -0.00068  -0.00032  -0.00859
   D255       0.00708  -0.00000  -0.00003   0.00000  -0.00002   0.00706
   D256      -3.13625  -0.00002  -0.00053  -0.00036  -0.00088  -3.13714
   D257      -3.13780  -0.00000  -0.00068   0.00066  -0.00002  -3.13782
   D258       0.00205  -0.00002  -0.00118   0.00030  -0.00088   0.00117
   D259       0.00784   0.00001  -0.00009   0.00094   0.00085   0.00869
   D260      -3.12743   0.00001   0.00031  -0.00014   0.00017  -3.12726
   D261      -3.13202   0.00003   0.00040   0.00130   0.00170  -3.13032
   D262       0.01589   0.00003   0.00080   0.00022   0.00103   0.01692
   D263       0.00563   0.00000   0.00016  -0.00019  -0.00003   0.00560
   D264      -3.14064   0.00000   0.00000   0.00005   0.00006  -3.14059
   D265      -3.12559   0.00002   0.00075  -0.00037   0.00037  -3.12522
   D266       0.01132   0.00001   0.00059  -0.00014   0.00045   0.01177
   D267       0.00891   0.00001   0.00020   0.00015   0.00035   0.00925
   D268      -3.13922  -0.00001  -0.00021  -0.00046  -0.00068  -3.13989
   D269      -3.12799   0.00001   0.00036  -0.00009   0.00027  -3.12772
   D270       0.00708  -0.00001  -0.00006  -0.00070  -0.00076   0.00632
   D271      -0.00795  -0.00001  -0.00040   0.00008  -0.00032  -0.00827
   D272       3.12700  -0.00001  -0.00025   0.00003  -0.00023   3.12677
   D273       3.14019   0.00001   0.00002   0.00069   0.00070   3.14090
   D274      -0.00805   0.00001   0.00017   0.00064   0.00080  -0.00725
   D275       0.00563   0.00001   0.00026   0.00011   0.00037   0.00600
   D276      -3.14071  -0.00000  -0.00003  -0.00010  -0.00014  -3.14085
   D277      -3.13049   0.00001   0.00001  -0.00017  -0.00016  -3.13065
   D278       0.00636  -0.00001  -0.00029  -0.00038  -0.00066   0.00569
   D279      -0.00684  -0.00000   0.00009  -0.00010  -0.00002  -0.00685
   D280       3.13084  -0.00001   0.00024  -0.00044  -0.00019   3.13064
   D281       3.13949   0.00001   0.00038   0.00011   0.00049   3.13998
   D282      -0.00602   0.00001   0.00054  -0.00023   0.00031  -0.00571
   D283      -0.00398  -0.00001  -0.00022  -0.00001  -0.00023  -0.00420
   D284       3.12931  -0.00001  -0.00011  -0.00018  -0.00028   3.12903
   D285       3.14152  -0.00000  -0.00037   0.00032  -0.00005   3.14147
   D286      -0.00838  -0.00000  -0.00026   0.00016  -0.00011  -0.00848
   D287      -0.00335  -0.00000  -0.00006  -0.00021  -0.00027  -0.00362
   D288       3.13981  -0.00001  -0.00014  -0.00008  -0.00022   3.13959
   D289       3.13511  -0.00000  -0.00009   0.00002  -0.00007   3.13504
   D290      -0.00492  -0.00000  -0.00017   0.00015  -0.00002  -0.00494
   D291      -0.00567  -0.00000  -0.00009  -0.00007  -0.00016  -0.00583
   D292       3.13847   0.00001   0.00048  -0.00028   0.00020   3.13867
   D293       3.13434   0.00000  -0.00000  -0.00020  -0.00021   3.13414
   D294      -0.00470   0.00001   0.00057  -0.00041   0.00016  -0.00454
   D295       0.00458   0.00001   0.00041   0.00028   0.00068   0.00526
   D296      -3.13302   0.00001   0.00015   0.00009   0.00025  -3.13277
   D297      -3.13957  -0.00000  -0.00017   0.00049   0.00032  -3.13925
   D298       0.00601  -0.00000  -0.00042   0.00030  -0.00012   0.00590
   D299       1.82338   0.00170  -0.01577   0.00613  -0.00963   1.81375
   D300      -0.43133   0.00054  -0.01774   0.00859  -0.00915  -0.44048
   D301      -2.67392   0.00111  -0.01320   0.00500  -0.00820  -2.68212
   D302       3.10280   0.00059   0.03662  -0.04351  -0.00688   3.09592
   D303      -1.00897   0.00014   0.03727  -0.04790  -0.01063  -1.01960
   D304       1.22742  -0.00059   0.03417  -0.04743  -0.01326   1.21416
   D305      -2.34944   0.00046  -0.00149   0.02804   0.02654  -2.32290
   D306      -0.21819   0.00082  -0.00158   0.02986   0.02828  -0.18991
   D307       1.83091   0.00058  -0.00140   0.02802   0.02662   1.85754
   D308       1.59866  -0.00021   0.07796  -0.13731  -0.05934   1.53932
   D309      -2.57708  -0.00019   0.07887  -0.13875  -0.05984  -2.63692
   D310      -0.56135  -0.00018   0.08500  -0.14771  -0.06274  -0.62410
   D311      -3.07240   0.00069   0.00174  -0.00477  -0.00303  -3.07543
   D312      -0.98402   0.00068   0.00157  -0.00495  -0.00338  -0.98740
   D313       1.13001   0.00072   0.00204  -0.00403  -0.00199   1.12802
   D314       1.10678  -0.00066   0.00086  -0.00135  -0.00049   1.10629
   D315      -3.08803  -0.00067   0.00069  -0.00154  -0.00084  -3.08887
   D316      -0.97400  -0.00064   0.00116  -0.00061   0.00054  -0.97345
   D317      -1.03332  -0.00005   0.00203  -0.00719  -0.00516  -1.03849
   D318       1.05506  -0.00006   0.00186  -0.00738  -0.00551   1.04954
   D319      -3.11410  -0.00002   0.00233  -0.00645  -0.00413  -3.11823
   D320      -0.88815  -0.00070   0.01543  -0.05158  -0.03615  -0.92430
   D321       1.20983  -0.00031   0.01623  -0.05187  -0.03565   1.17419
   D322      -2.90488  -0.00044   0.01499  -0.04663  -0.03163  -2.93651
   D323       3.08135   0.00004   0.00216   0.00179   0.00398   3.08532
   D324      -1.10915   0.00005  -0.00104   0.00781   0.00679  -1.10236
   D325       1.00009   0.00003  -0.00049   0.00645   0.00598   1.00608
   D326       1.04852   0.00004   0.00049   0.00435   0.00484   1.05336
   D327       3.14121   0.00006  -0.00271   0.01036   0.00765  -3.13433
   D328      -1.03273   0.00004  -0.00216   0.00901   0.00685  -1.02589
   D329      -1.06598   0.00001  -0.00074   0.00532   0.00456  -1.06142
   D330       1.02671   0.00003  -0.00394   0.01134   0.00737   1.03408
   D331       3.13595   0.00001  -0.00340   0.00999   0.00657  -3.14067
         Item               Value     Threshold  Converged?
 Maximum Force            0.002668     0.000450     NO 
 RMS     Force            0.000231     0.000300     YES
 Maximum Displacement     0.198168     0.001800     NO 
 RMS     Displacement     0.026539     0.001200     NO 
 Predicted change in Energy=-6.124008D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.590390    3.247284    0.115894
      2          6           0       -2.751634    1.867142    0.256667
      3          6           0       -1.649546    1.004933    0.203141
      4          6           0       -0.357967    1.555917    0.072637
      5          6           0       -0.204347    2.939484   -0.088421
      6          6           0       -1.306410    3.781421   -0.081180
      7          6           0       -1.787287   -0.463349    0.162103
      8          6           0       -0.657391   -1.289547    0.383043
      9          6           0        0.628933   -0.649044    0.807498
     10          6           0        0.825836    0.685066    0.144530
     11          6           0       -2.994950   -1.051313   -0.232432
     12          6           0       -3.093367   -2.423844   -0.466004
     13          6           0       -1.950547   -3.221441   -0.339100
     14          6           0       -0.754437   -2.653311    0.077495
     15          7           0        1.784989   -1.472539    0.890257
     16          6           0        3.036002   -0.967657    0.423214
     17          6           0        3.080842    0.322842   -0.153330
     18          7           0        1.961766    1.126880   -0.273261
     19          6           0        4.227052   -1.710538    0.461255
     20          6           0        5.415823   -1.181481   -0.025091
     21          6           0        5.460256    0.099414   -0.596004
     22          6           0        4.284243    0.835210   -0.663486
     23          7           0       -3.719394    4.100546    0.163879
     24          7           0       -4.323200   -2.992022   -0.875920
     25          7           0        6.679863    0.626490   -1.091745
     26          6           0       -4.960098   -4.083068   -0.266637
     27          6           0       -6.177487   -4.340983   -0.944993
     28          6           0       -6.280532   -3.366742   -2.011827
     29          6           0       -5.122911   -2.551235   -1.939833
     30          6           0       -3.852576    5.241257    0.969615
     31          6           0       -5.123950    5.822735    0.735791
     32          6           0       -5.789328    4.999587   -0.252530
     33          6           0       -4.898329    3.947069   -0.580959
     34          6           0        7.265046    1.839872   -0.707957
     35          6           0        8.478838    2.010521   -1.420934
     36          6           0        8.631223    0.851416   -2.275643
     37          6           0        7.504984    0.020455   -2.046864
     38          6           0       -7.229629   -3.130933   -3.012848
     39          6           0       -7.012218   -2.103294   -3.925805
     40          6           0       -5.849574   -1.317991   -3.853434
     41          6           0       -4.889453   -1.530665   -2.865986
     42          6           0       -4.570248   -4.828005    0.849438
     43          6           0       -5.411646   -5.857942    1.264637
     44          6           0       -6.613925   -6.138784    0.593883
     45          6           0       -7.003937   -5.382054   -0.506851
     46          6           0       -7.037673    5.069781   -0.881260
     47          6           0       -7.378204    4.104143   -1.823656
     48          6           0       -6.477567    3.076711   -2.149922
     49          6           0       -5.228042    2.985884   -1.540585
     50          6           0       -2.967125    5.773994    1.910499
     51          6           0       -3.364283    6.918395    2.598802
     52          6           0       -4.613113    7.518109    2.365656
     53          6           0       -5.497764    6.972686    1.440345
     54          6           0        9.600150    0.457758   -3.205768
     55          6           0        9.433524   -0.740899   -3.893004
     56          6           0        8.304295   -1.545116   -3.664001
     57          6           0        7.325224   -1.177709   -2.743393
     58          6           0        6.829293    2.777491    0.232019
     59          6           0        7.622319    3.904194    0.437934
     60          6           0        8.822082    4.095434   -0.268255
     61          6           0        9.256222    3.152367   -1.194814
     62          8           0        0.469464   -3.066043    2.695885
     63         15           0        1.771217   -2.796173    2.058901
     64          8           0        2.993438   -2.499232    3.050041
     65          8           0        2.370717   -3.951522    1.112695
     66          6           0        2.773176   -1.964051    4.398712
     67          6           0        3.735335   -0.817086    4.628707
     68          6           0        2.607275   -5.276526    1.680397
     69          6           0        1.370668   -6.150697    1.576758
     70          1           0       -3.747084    1.477064    0.430047
     71          1           0        0.796180    3.336287   -0.214993
     72          1           0       -1.185431    4.849769   -0.221269
     73          1           0       -3.870451   -0.435762   -0.396061
     74          1           0       -1.996390   -4.274050   -0.594421
     75          1           0        0.122610   -3.283068    0.108518
     76          1           0        4.239912   -2.707122    0.872985
     77          1           0        6.325224   -1.768859    0.039838
     78          1           0        4.257770    1.819409   -1.116285
     79          1           0       -8.121656   -3.747169   -3.078755
     80          1           0       -7.741649   -1.910709   -4.706372
     81          1           0       -5.688291   -0.532259   -4.585812
     82          1           0       -3.986507   -0.931485   -2.830523
     83          1           0       -3.651590   -4.609128    1.382311
     84          1           0       -5.130959   -6.451660    2.129517
     85          1           0       -7.245756   -6.949490    0.943218
     86          1           0       -7.939928   -5.591514   -1.016651
     87          1           0       -7.730031    5.870489   -0.637239
     88          1           0       -8.345808    4.144899   -2.314107
     89          1           0       -6.756871    2.333202   -2.890507
     90          1           0       -4.536807    2.195812   -1.810771
     91          1           0       -2.007367    5.310752    2.109157
     92          1           0       -2.692426    7.350994    3.334151
     93          1           0       -4.890999    8.410308    2.918138
     94          1           0       -6.468806    7.428811    1.270351
     95          1           0       10.468649    1.083274   -3.391376
     96          1           0       10.178791   -1.056976   -4.616345
     97          1           0        8.187326   -2.472037   -4.217793
     98          1           0        6.450908   -1.798355   -2.580940
     99          1           0        5.907918    2.634667    0.785546
    100          1           0        7.304066    4.648400    1.161986
    101          1           0        9.415107    4.986208   -0.085674
    102          1           0       10.187981    3.297528   -1.734041
    103          1           0        1.733417   -1.647673    4.489265
    104          1           0        2.956023   -2.795125    5.085848
    105          1           0        3.627010   -0.453487    5.655727
    106          1           0        4.771530   -1.135343    4.482797
    107          1           0        3.518110    0.009219    3.947523
    108          1           0        3.437447   -5.680798    1.096030
    109          1           0        2.944001   -5.168318    2.716370
    110          1           0        1.597627   -7.152111    1.957383
    111          1           0        0.548470   -5.729818    2.159698
    112          1           0        1.052892   -6.245656    0.534391
    113         17           0        0.315053    0.112514    2.763355
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351395           0.0181375           0.0142752
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10692.3771701930 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000303    0.000280   -0.000202 Ang=   0.05 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48644680     A.U. after   11 cycles
            NFock= 11  Conv=0.34D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000087351    0.000052330    0.000031857
      2        6          -0.000094676   -0.000019713   -0.000138354
      3        6           0.000011313   -0.000100469   -0.000006990
      4        6           0.000095361   -0.000061969   -0.000043131
      5        6           0.000000796    0.000015556    0.000045767
      6        6           0.000049253    0.000080472    0.000099728
      7        6           0.000007652    0.000091014    0.000026265
      8        6          -0.000038202   -0.000053256   -0.000132729
      9        6          -0.000155101    0.000235254    0.000080167
     10        6          -0.000060724   -0.000039423    0.000141648
     11        6          -0.000036273    0.000006212   -0.000005498
     12        6          -0.000003380   -0.000031080   -0.000001937
     13        6           0.000088714   -0.000020459   -0.000032965
     14        6          -0.000030813   -0.000087870   -0.000041508
     15        7           0.000335170   -0.000363711   -0.000129457
     16        6          -0.000076310    0.000168997    0.000201931
     17        6          -0.000000493    0.000018493   -0.000164437
     18        7           0.000055864    0.000002405   -0.000177927
     19        6          -0.000168645   -0.000115364    0.000077320
     20        6           0.000097891   -0.000002341   -0.000114327
     21        6           0.000013740   -0.000151815    0.000119022
     22        6          -0.000117539    0.000002875    0.000110122
     23        7           0.000132071   -0.000121227   -0.000012561
     24        7          -0.000037720    0.000048436    0.000168115
     25        7          -0.000129871    0.000081851   -0.000143336
     26        6           0.000026501   -0.000065770   -0.000059123
     27        6           0.000015494   -0.000013869    0.000009017
     28        6          -0.000007730    0.000030041   -0.000004904
     29        6          -0.000055782    0.000025827   -0.000031481
     30        6           0.000047620    0.000223841   -0.000081682
     31        6           0.000068108    0.000069996   -0.000010888
     32        6          -0.000034762   -0.000082168    0.000013479
     33        6          -0.000126994   -0.000087943    0.000002216
     34        6          -0.000047014    0.000052201   -0.000030780
     35        6           0.000009666    0.000025781   -0.000015888
     36        6           0.000039244   -0.000057492    0.000034301
     37        6           0.000107539   -0.000106638    0.000110679
     38        6           0.000003048    0.000000111   -0.000002585
     39        6           0.000000386   -0.000017421   -0.000038326
     40        6          -0.000013888    0.000049628   -0.000002109
     41        6           0.000053348   -0.000038478   -0.000055558
     42        6           0.000035334    0.000043130    0.000024358
     43        6           0.000002909   -0.000017218    0.000001895
     44        6           0.000000980    0.000001200    0.000008011
     45        6          -0.000008117    0.000016857   -0.000003767
     46        6          -0.000009971    0.000057743    0.000029013
     47        6          -0.000007529   -0.000021581   -0.000007334
     48        6          -0.000039394    0.000011009   -0.000057509
     49        6           0.000044730   -0.000025052    0.000052187
     50        6           0.000001299   -0.000038954    0.000026338
     51        6           0.000003173   -0.000001802   -0.000003004
     52        6          -0.000013949   -0.000013669    0.000004336
     53        6          -0.000018230   -0.000033450    0.000025776
     54        6           0.000003922    0.000029077   -0.000013916
     55        6           0.000030031    0.000007032   -0.000001016
     56        6          -0.000022896   -0.000008553   -0.000003462
     57        6          -0.000021559    0.000026420   -0.000029156
     58        6          -0.000005007    0.000000089   -0.000016960
     59        6           0.000017330   -0.000018272   -0.000000078
     60        6           0.000009567    0.000010859    0.000007875
     61        6          -0.000006368   -0.000002703   -0.000017339
     62        8          -0.000162284   -0.000056755    0.000195069
     63       15           0.000152382    0.000659777   -0.000403252
     64        8          -0.000013325   -0.000520126    0.000097114
     65        8           0.000045948   -0.000138901    0.000214420
     66        6           0.000032609    0.000414435   -0.000389887
     67        6           0.000000964    0.000038243   -0.000042364
     68        6           0.000165813   -0.000090541   -0.000071480
     69        6          -0.000077327   -0.000151773   -0.000159118
     70        1           0.000066002   -0.000017427    0.000023252
     71        1           0.000002588    0.000019554    0.000007925
     72        1           0.000005825   -0.000031634   -0.000016030
     73        1           0.000000145    0.000014763   -0.000008065
     74        1          -0.000019443    0.000023844    0.000017614
     75        1          -0.000003939    0.000036880   -0.000004688
     76        1           0.000064617    0.000219936   -0.000017872
     77        1           0.000026553    0.000039674    0.000033125
     78        1           0.000045331    0.000014857   -0.000037949
     79        1           0.000001085    0.000002092    0.000004822
     80        1           0.000000228    0.000010590    0.000017855
     81        1           0.000000877   -0.000041081    0.000038395
     82        1          -0.000017362    0.000025084    0.000025630
     83        1          -0.000029403   -0.000001634   -0.000010370
     84        1           0.000003393    0.000005897   -0.000012264
     85        1          -0.000002957    0.000007358    0.000002933
     86        1           0.000008044   -0.000005456   -0.000009451
     87        1           0.000041195   -0.000027162   -0.000016211
     88        1           0.000018117    0.000009608    0.000000521
     89        1           0.000014835    0.000001453    0.000025664
     90        1          -0.000014383    0.000019038   -0.000025048
     91        1          -0.000019201   -0.000000462    0.000019615
     92        1           0.000003978   -0.000007909   -0.000002405
     93        1           0.000008569    0.000011425   -0.000009854
     94        1          -0.000000023   -0.000009747   -0.000006774
     95        1          -0.000020740   -0.000003201    0.000000097
     96        1          -0.000013091    0.000000405    0.000008552
     97        1          -0.000004012    0.000014268    0.000016129
     98        1           0.000008951    0.000003328   -0.000011338
     99        1           0.000002220   -0.000001486    0.000017564
    100        1          -0.000009519    0.000001399   -0.000005440
    101        1           0.000009406   -0.000002488    0.000007197
    102        1          -0.000013259   -0.000006063    0.000007906
    103        1          -0.000128342   -0.000194500    0.000526614
    104        1           0.000040153    0.000001529   -0.000069548
    105        1           0.000010845    0.000006984    0.000047252
    106        1          -0.000086851    0.000020284    0.000005733
    107        1           0.000011382   -0.000000924    0.000044430
    108        1          -0.000149809    0.000078540   -0.000044370
    109        1          -0.000046803   -0.000054320   -0.000049593
    110        1          -0.000068242   -0.000038848    0.000043927
    111        1           0.000080591    0.000042706    0.000042042
    112        1           0.000077923   -0.000059361    0.000016780
    113       17           0.000017979    0.000052841    0.000095790
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000659777 RMS     0.000095180

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001156977 RMS     0.000085104
 Search for a local minimum.
 Step number  33 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
 DE= -8.45D-05 DEPred=-6.12D-05 R= 1.38D+00
 TightC=F SS=  1.41D+00  RLast= 1.46D-01 DXNew= 2.1488D+00 4.3687D-01
 Trust test= 1.38D+00 RLast= 1.46D-01 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1
 ITU=  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00221   0.00373   0.00454   0.00732   0.00965
     Eigenvalues ---    0.01310   0.01371   0.01639   0.02027   0.02439
     Eigenvalues ---    0.02486   0.02540   0.02554   0.02580   0.02589
     Eigenvalues ---    0.02603   0.02636   0.02670   0.02681   0.02697
     Eigenvalues ---    0.02700   0.02704   0.02713   0.02723   0.02749
     Eigenvalues ---    0.02754   0.02766   0.02778   0.02795   0.02801
     Eigenvalues ---    0.02802   0.02808   0.02812   0.02815   0.02827
     Eigenvalues ---    0.02838   0.02851   0.02858   0.02867   0.02875
     Eigenvalues ---    0.02878   0.02883   0.02890   0.02899   0.02901
     Eigenvalues ---    0.02905   0.02907   0.02913   0.02917   0.02919
     Eigenvalues ---    0.02925   0.02929   0.02939   0.02945   0.02948
     Eigenvalues ---    0.02950   0.02951   0.02953   0.02957   0.02960
     Eigenvalues ---    0.02964   0.02965   0.02972   0.02975   0.02976
     Eigenvalues ---    0.02989   0.02992   0.02995   0.03000   0.03015
     Eigenvalues ---    0.03019   0.03026   0.03037   0.03053   0.03055
     Eigenvalues ---    0.03059   0.03064   0.03074   0.03092   0.03095
     Eigenvalues ---    0.03101   0.03113   0.03123   0.03132   0.03141
     Eigenvalues ---    0.03161   0.03175   0.03177   0.03183   0.03203
     Eigenvalues ---    0.03226   0.03241   0.03251   0.03276   0.03321
     Eigenvalues ---    0.03454   0.03528   0.03844   0.05066   0.05271
     Eigenvalues ---    0.05699   0.05742   0.05774   0.05901   0.05938
     Eigenvalues ---    0.06150   0.06285   0.07037   0.08411   0.11473
     Eigenvalues ---    0.12011   0.12093   0.13485   0.13852   0.14153
     Eigenvalues ---    0.15165   0.15872   0.15929   0.15974   0.15985
     Eigenvalues ---    0.15993   0.15994   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16005   0.16007   0.16010   0.16020   0.16035
     Eigenvalues ---    0.16047   0.16086   0.16136   0.16317   0.18219
     Eigenvalues ---    0.19635   0.20934   0.21481   0.21738   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22005   0.22197
     Eigenvalues ---    0.22347   0.22456   0.22523   0.22582   0.22599
     Eigenvalues ---    0.22603   0.22614   0.22657   0.22685   0.22965
     Eigenvalues ---    0.23368   0.23474   0.23587   0.23828   0.24134
     Eigenvalues ---    0.24375   0.24465   0.24486   0.24514   0.24530
     Eigenvalues ---    0.24541   0.24582   0.24760   0.24804   0.24915
     Eigenvalues ---    0.24925   0.24963   0.24977   0.24979   0.24985
     Eigenvalues ---    0.24989   0.24991   0.25004   0.25038   0.25167
     Eigenvalues ---    0.25221   0.25896   0.26357   0.26634   0.27168
     Eigenvalues ---    0.27746   0.28115   0.28741   0.28839   0.29037
     Eigenvalues ---    0.29204   0.29334   0.29639   0.29808   0.30240
     Eigenvalues ---    0.30519   0.30658   0.30722   0.30854   0.30950
     Eigenvalues ---    0.31133   0.31194   0.31268   0.31385   0.31522
     Eigenvalues ---    0.31548   0.31742   0.32136   0.32233   0.32573
     Eigenvalues ---    0.33134   0.33280   0.33526   0.33964   0.34046
     Eigenvalues ---    0.34219   0.34497   0.34669   0.34937   0.35150
     Eigenvalues ---    0.35181   0.35423   0.35537   0.35737   0.36390
     Eigenvalues ---    0.36777   0.37090   0.37141   0.37310   0.39058
     Eigenvalues ---    0.39804   0.41390   0.41564   0.42065   0.42249
     Eigenvalues ---    0.42775   0.43447   0.43683   0.45283   0.45948
     Eigenvalues ---    0.47087   0.47097   0.47150   0.47227   0.47664
     Eigenvalues ---    0.47835   0.49605   0.50098   0.50233   0.50495
     Eigenvalues ---    0.50598   0.51125   0.51676   0.52034   0.52054
     Eigenvalues ---    0.52227   0.52322   0.52684   0.53105   0.53224
     Eigenvalues ---    0.53425   0.53790   0.54295   0.54348   0.55025
     Eigenvalues ---    0.55305   0.55573   0.55626   0.55709   0.56031
     Eigenvalues ---    0.56181   0.56264   0.56463   0.56621   0.56769
     Eigenvalues ---    0.56939   0.57177   0.57451   0.57946   0.58232
     Eigenvalues ---    0.58286   0.58302   0.58359   0.58515   0.58656
     Eigenvalues ---    0.58924   0.59012   0.59440   0.59724   0.59808
     Eigenvalues ---    0.60077   0.60584   0.60882   0.61531   0.62023
     Eigenvalues ---    0.63255   0.63509   0.64317   0.65118   0.65873
     Eigenvalues ---    0.66326   0.66775   0.67798   0.68864   0.72084
     Eigenvalues ---    0.73092   0.74588   0.77289   0.80641   0.80986
     Eigenvalues ---    0.85501   1.02869   4.80646
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    33   32   31   30   29   28   27   26   25   24
 RFO step:  Lambda=-2.94166725D-05.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.05261    0.01882    0.46776   -1.13602    0.23483
                  RFO-DIIS coefs:    0.99638   -0.45062   -0.30296    0.11919    0.00000
 Iteration  1 RMS(Cart)=  0.01365192 RMS(Int)=  0.00004885
 Iteration  2 RMS(Cart)=  0.00009399 RMS(Int)=  0.00000357
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000357
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63927   0.00002   0.00023  -0.00005   0.00018   2.63945
    R2        2.65420   0.00004   0.00017  -0.00003   0.00014   2.65435
    R3        2.67582  -0.00012  -0.00046   0.00002  -0.00044   2.67538
    R4        2.64620  -0.00003  -0.00031   0.00013  -0.00018   2.64603
    R5        2.04679  -0.00004  -0.00000  -0.00008  -0.00009   2.04671
    R6        2.66498  -0.00003  -0.00018   0.00011  -0.00005   2.66492
    R7        2.78791  -0.00012   0.00033  -0.00018   0.00016   2.78807
    R8        2.64818   0.00004  -0.00003   0.00004   0.00001   2.64819
    R9        2.78049  -0.00013  -0.00058   0.00006  -0.00051   2.77998
   R10        2.62083  -0.00001  -0.00014   0.00006  -0.00008   2.62075
   R11        2.04800   0.00001   0.00005  -0.00003   0.00002   2.04803
   R12        2.04896  -0.00003   0.00002  -0.00008  -0.00006   2.04891
   R13        2.67787  -0.00000  -0.00012   0.00013  -0.00000   2.67787
   R14        2.64549  -0.00002  -0.00026   0.00012  -0.00014   2.64535
   R15        2.83146   0.00012   0.00111  -0.00040   0.00070   2.83216
   R16        2.64739   0.00004  -0.00033   0.00027  -0.00006   2.64733
   R17        2.83972  -0.00003  -0.00043  -0.00017  -0.00061   2.83911
   R18        2.68677   0.00024   0.00062  -0.00012   0.00049   2.68727
   R19        2.43481  -0.00001   0.00013   0.00004   0.00017   2.43498
   R20        2.63756  -0.00003   0.00013  -0.00005   0.00008   2.63764
   R21        2.04595   0.00001  -0.00002  -0.00002  -0.00004   2.04591
   R22        2.64447   0.00005  -0.00009   0.00010   0.00001   2.64449
   R23        2.67471  -0.00003  -0.00019   0.00003  -0.00015   2.67456
   R24        2.62325  -0.00002   0.00013  -0.00014  -0.00000   2.62325
   R25        2.04865  -0.00003   0.00001  -0.00005  -0.00003   2.04862
   R26        2.04122  -0.00002   0.00018  -0.00016   0.00002   2.04125
   R27        2.69779   0.00005  -0.00078   0.00018  -0.00060   2.69719
   R28        3.33681   0.00004  -0.00098   0.00038  -0.00060   3.33621
   R29        2.67234   0.00006   0.00033  -0.00007   0.00027   2.67261
   R30        2.65365  -0.00001   0.00010  -0.00006   0.00003   2.65368
   R31        2.61383  -0.00013  -0.00086   0.00021  -0.00065   2.61319
   R32        2.65300  -0.00010   0.00032  -0.00022   0.00009   2.65309
   R33        2.62503   0.00007  -0.00026   0.00019  -0.00007   2.62495
   R34        2.03781  -0.00020   0.00001  -0.00017  -0.00016   2.03765
   R35        2.65142  -0.00011   0.00022  -0.00012   0.00011   2.65153
   R36        2.04949   0.00001  -0.00003  -0.00001  -0.00004   2.04946
   R37        2.62458  -0.00003  -0.00007   0.00007   0.00000   2.62458
   R38        2.67982   0.00001  -0.00048   0.00015  -0.00033   2.67949
   R39        2.04787   0.00002  -0.00001  -0.00001  -0.00001   2.04785
   R40        2.65113   0.00007   0.00029   0.00000   0.00029   2.65142
   R41        2.65116   0.00008   0.00049  -0.00005   0.00044   2.65160
   R42        2.65050  -0.00003   0.00009  -0.00004   0.00005   2.65055
   R43        2.64949   0.00004  -0.00001   0.00009   0.00008   2.64957
   R44        2.64699   0.00002   0.00046  -0.00007   0.00040   2.64738
   R45        2.64586   0.00002   0.00009   0.00004   0.00013   2.64598
   R46        2.67830  -0.00001  -0.00013   0.00004  -0.00009   2.67821
   R47        2.64058  -0.00002   0.00002  -0.00002   0.00001   2.64058
   R48        2.73710   0.00003  -0.00012   0.00007  -0.00005   2.73705
   R49        2.64482  -0.00001  -0.00004   0.00001  -0.00003   2.64479
   R50        2.67936  -0.00002  -0.00005   0.00001  -0.00003   2.67933
   R51        2.64456  -0.00000  -0.00008   0.00005  -0.00004   2.64452
   R52        2.64145  -0.00001  -0.00000   0.00003   0.00002   2.64147
   R53        2.67860  -0.00002  -0.00011   0.00000  -0.00011   2.67849
   R54        2.64095  -0.00001   0.00005  -0.00001   0.00004   2.64099
   R55        2.73657   0.00005  -0.00012   0.00008  -0.00005   2.73652
   R56        2.64462  -0.00002  -0.00009   0.00002  -0.00007   2.64455
   R57        2.67884  -0.00002  -0.00017   0.00003  -0.00013   2.67871
   R58        2.64467  -0.00003  -0.00006   0.00001  -0.00006   2.64461
   R59        2.64121  -0.00001   0.00001  -0.00001   0.00000   2.64121
   R60        2.67965   0.00001  -0.00020   0.00007  -0.00013   2.67952
   R61        2.64059  -0.00001  -0.00003   0.00003   0.00000   2.64060
   R62        2.73670  -0.00000  -0.00011   0.00003  -0.00009   2.73661
   R63        2.64512  -0.00001  -0.00007   0.00002  -0.00004   2.64508
   R64        2.67998   0.00001  -0.00010   0.00003  -0.00007   2.67991
   R65        2.64489  -0.00001  -0.00007   0.00002  -0.00005   2.64483
   R66        2.64093  -0.00001   0.00010  -0.00004   0.00007   2.64100
   R67        2.62991   0.00000  -0.00008   0.00003  -0.00005   2.62986
   R68        2.05260  -0.00000   0.00002  -0.00001   0.00001   2.05260
   R69        2.65483   0.00000  -0.00006   0.00002  -0.00003   2.65480
   R70        2.05141  -0.00001  -0.00001   0.00000  -0.00001   2.05140
   R71        2.63352  -0.00001  -0.00004   0.00003  -0.00001   2.63351
   R72        2.05256  -0.00006   0.00009  -0.00009   0.00001   2.05257
   R73        2.04892   0.00000  -0.00006   0.00001  -0.00005   2.04887
   R74        2.63284   0.00000  -0.00004   0.00003  -0.00002   2.63282
   R75        2.04911  -0.00003   0.00002   0.00001   0.00003   2.04914
   R76        2.65522   0.00001  -0.00003   0.00002  -0.00001   2.65521
   R77        2.05216  -0.00001   0.00003  -0.00003  -0.00000   2.05216
   R78        2.62962   0.00001  -0.00010   0.00006  -0.00005   2.62957
   R79        2.05145  -0.00000  -0.00001   0.00000  -0.00000   2.05145
   R80        2.05264  -0.00000   0.00000  -0.00000  -0.00000   2.05263
   R81        2.62973   0.00002  -0.00005   0.00004  -0.00001   2.62972
   R82        2.05280  -0.00005   0.00004  -0.00004   0.00000   2.05280
   R83        2.65452  -0.00001  -0.00009   0.00001  -0.00007   2.65444
   R84        2.05143  -0.00002   0.00003  -0.00003  -0.00000   2.05143
   R85        2.63266   0.00002  -0.00002   0.00005   0.00003   2.63269
   R86        2.05214  -0.00002   0.00003  -0.00004  -0.00001   2.05214
   R87        2.04843  -0.00001  -0.00001  -0.00005  -0.00006   2.04837
   R88        2.63286  -0.00001  -0.00000   0.00001   0.00000   2.63287
   R89        2.04858  -0.00002   0.00003  -0.00007  -0.00004   2.04854
   R90        2.65477   0.00001  -0.00013   0.00005  -0.00008   2.65469
   R91        2.05214  -0.00000  -0.00001   0.00000  -0.00001   2.05213
   R92        2.62957  -0.00000  -0.00011   0.00005  -0.00006   2.62951
   R93        2.05144  -0.00000  -0.00000  -0.00000  -0.00000   2.05144
   R94        2.05266  -0.00000   0.00000  -0.00000  -0.00000   2.05265
   R95        2.62994  -0.00001  -0.00006   0.00002  -0.00004   2.62989
   R96        2.05278  -0.00002  -0.00000  -0.00001  -0.00001   2.05276
   R97        2.65529   0.00001  -0.00009   0.00003  -0.00006   2.65524
   R98        2.05151  -0.00002   0.00002  -0.00002  -0.00001   2.05150
   R99        2.63282  -0.00002  -0.00002   0.00001  -0.00002   2.63280
   R100       2.05238  -0.00002   0.00002  -0.00003  -0.00001   2.05237
   R101       2.04930  -0.00001  -0.00004  -0.00001  -0.00005   2.04925
   R102       2.63259  -0.00000  -0.00006   0.00005  -0.00001   2.63258
   R103       2.04904   0.00001  -0.00007   0.00002  -0.00005   2.04899
   R104       2.65552   0.00000  -0.00008   0.00002  -0.00006   2.65547
   R105       2.05223   0.00000   0.00002  -0.00001   0.00001   2.05223
   R106       2.62962  -0.00000  -0.00007   0.00003  -0.00005   2.62957
   R107       2.05146   0.00000  -0.00004   0.00003  -0.00002   2.05144
   R108       2.05278  -0.00002   0.00005  -0.00005   0.00001   2.05278
   R109       2.78575   0.00024  -0.00004   0.00011   0.00007   2.78583
   R110       3.02613   0.00006  -0.00026   0.00028   0.00002   3.02615
   R111       3.04095   0.00027   0.00036  -0.00028   0.00009   3.04104
   R112       2.77336   0.00031   0.00203  -0.00049   0.00154   2.77490
   R113       2.76048   0.00018   0.00049  -0.00012   0.00037   2.76085
   R114       2.86228   0.00003  -0.00039   0.00020  -0.00019   2.86209
   R115       2.06092   0.00018  -0.00006   0.00016   0.00010   2.06102
   R116       2.06687  -0.00003  -0.00017   0.00005  -0.00013   2.06674
   R117       2.06898   0.00005  -0.00006   0.00013   0.00007   2.06905
   R118       2.06688  -0.00009   0.00008  -0.00014  -0.00006   2.06682
   R119       2.06489  -0.00003   0.00003  -0.00008  -0.00005   2.06484
   R120       2.86847   0.00013   0.00007   0.00015   0.00022   2.86869
   R121       2.06500  -0.00011  -0.00001  -0.00011  -0.00012   2.06488
   R122       2.06865  -0.00007   0.00012  -0.00024  -0.00012   2.06853
   R123       2.06942   0.00002  -0.00002   0.00008   0.00006   2.06948
   R124       2.06402  -0.00003  -0.00011   0.00004  -0.00007   2.06395
   R125       2.06709  -0.00004   0.00004  -0.00006  -0.00002   2.06707
   R126       5.37453  -0.00003  -0.01581   0.00255  -0.01326   5.36126
    A1        2.08919   0.00002  -0.00040   0.00011  -0.00029   2.08890
    A2        2.09440  -0.00001   0.00018  -0.00010   0.00008   2.09449
    A3        2.09958  -0.00001   0.00022  -0.00001   0.00020   2.09978
    A4        2.11033  -0.00001   0.00021  -0.00002   0.00020   2.11053
    A5        2.06932   0.00005  -0.00017   0.00016  -0.00001   2.06931
    A6        2.10331  -0.00004  -0.00007  -0.00014  -0.00021   2.10309
    A7        2.07576   0.00001   0.00021  -0.00010   0.00010   2.07586
    A8        2.14169  -0.00003  -0.00018   0.00011  -0.00007   2.14161
    A9        2.06210   0.00002  -0.00011   0.00001  -0.00010   2.06200
   A10        2.09068   0.00001  -0.00035   0.00015  -0.00020   2.09047
   A11        2.09566  -0.00000   0.00029  -0.00018   0.00011   2.09576
   A12        2.09644  -0.00001   0.00011   0.00000   0.00011   2.09655
   A13        2.10791  -0.00000   0.00030  -0.00010   0.00021   2.10812
   A14        2.06703   0.00002  -0.00012   0.00012  -0.00000   2.06703
   A15        2.10824  -0.00001  -0.00018  -0.00002  -0.00021   2.10804
   A16        2.09012  -0.00002   0.00002   0.00001   0.00003   2.09015
   A17        2.08844   0.00002   0.00038  -0.00014   0.00024   2.08868
   A18        2.10461   0.00000  -0.00040   0.00013  -0.00027   2.10435
   A19        2.09610   0.00002  -0.00021   0.00013  -0.00009   2.09601
   A20        2.10178  -0.00005   0.00024  -0.00014   0.00011   2.10188
   A21        2.07934   0.00002  -0.00013   0.00006  -0.00008   2.07926
   A22        2.07083  -0.00004  -0.00046  -0.00001  -0.00049   2.07034
   A23        2.06954  -0.00001   0.00029  -0.00019   0.00011   2.06965
   A24        2.13813   0.00005   0.00024   0.00019   0.00044   2.13857
   A25        1.94660  -0.00006  -0.00100   0.00031  -0.00070   1.94590
   A26        2.05663  -0.00000  -0.00069   0.00115   0.00048   2.05711
   A27        2.01901   0.00003   0.00000   0.00014   0.00016   2.01917
   A28        2.02817   0.00004  -0.00033   0.00021  -0.00012   2.02804
   A29        2.08349  -0.00010   0.00080  -0.00049   0.00033   2.08382
   A30        2.16882   0.00007  -0.00034   0.00024  -0.00009   2.16873
   A31        2.11882  -0.00002  -0.00011   0.00006  -0.00005   2.11877
   A32        2.09601  -0.00000   0.00038  -0.00020   0.00018   2.09618
   A33        2.06779   0.00002  -0.00026   0.00014  -0.00011   2.06767
   A34        2.08028   0.00002   0.00011  -0.00007   0.00003   2.08031
   A35        2.09958  -0.00005  -0.00040   0.00018  -0.00023   2.09936
   A36        2.10256   0.00003   0.00028  -0.00010   0.00018   2.10274
   A37        2.09165  -0.00001  -0.00008   0.00005  -0.00003   2.09162
   A38        2.09152  -0.00001   0.00025  -0.00015   0.00010   2.09162
   A39        2.09959   0.00002  -0.00017   0.00010  -0.00007   2.09953
   A40        2.12181  -0.00001  -0.00021   0.00010  -0.00012   2.12169
   A41        2.10022  -0.00002  -0.00018   0.00015  -0.00003   2.10019
   A42        2.05967   0.00003   0.00042  -0.00027   0.00015   2.05982
   A43        2.08133  -0.00018   0.00009  -0.00025  -0.00018   2.08115
   A44        2.05596   0.00006  -0.00123   0.00097  -0.00027   2.05569
   A45        2.08112   0.00014   0.00124  -0.00012   0.00112   2.08223
   A46        2.07590   0.00008  -0.00028   0.00022  -0.00006   2.07584
   A47        2.14993  -0.00000   0.00026  -0.00016   0.00010   2.15004
   A48        2.05660  -0.00008   0.00004  -0.00009  -0.00006   2.05654
   A49        2.14143   0.00004   0.00010  -0.00004   0.00007   2.14150
   A50        2.10410   0.00004  -0.00036   0.00020  -0.00017   2.10393
   A51        2.03740  -0.00007   0.00030  -0.00016   0.00015   2.03754
   A52        2.07813  -0.00004   0.00039  -0.00026   0.00013   2.07825
   A53        2.11167   0.00006   0.00009   0.00005   0.00013   2.11179
   A54        2.10524   0.00006  -0.00021   0.00041   0.00020   2.10544
   A55        2.06627  -0.00011   0.00013  -0.00046  -0.00033   2.06594
   A56        2.11444  -0.00005   0.00021  -0.00015   0.00006   2.11450
   A57        2.08329   0.00006  -0.00031   0.00020  -0.00011   2.08318
   A58        2.08545  -0.00000   0.00009  -0.00005   0.00005   2.08550
   A59        2.06758   0.00004  -0.00034   0.00016  -0.00018   2.06740
   A60        2.10458   0.00002   0.00012   0.00002   0.00014   2.10472
   A61        2.11102  -0.00006   0.00022  -0.00019   0.00004   2.11106
   A62        2.11158   0.00001   0.00041  -0.00016   0.00024   2.11182
   A63        2.05144   0.00005  -0.00099   0.00058  -0.00040   2.05103
   A64        2.12014  -0.00006   0.00058  -0.00042   0.00016   2.12030
   A65        2.19583   0.00001   0.00003   0.00007   0.00011   2.19594
   A66        2.19705  -0.00002   0.00020  -0.00012   0.00008   2.19712
   A67        1.89030   0.00001  -0.00023   0.00005  -0.00018   1.89012
   A68        2.19077   0.00001   0.00012  -0.00007   0.00005   2.19081
   A69        2.20083  -0.00002   0.00002   0.00004   0.00007   2.20089
   A70        1.89145   0.00001  -0.00010   0.00003  -0.00007   1.89138
   A71        2.19627  -0.00001   0.00007  -0.00005   0.00003   2.19630
   A72        2.19497   0.00002   0.00009   0.00001   0.00010   2.19507
   A73        1.89195  -0.00000  -0.00018   0.00004  -0.00014   1.89180
   A74        1.90041  -0.00000   0.00006  -0.00002   0.00004   1.90046
   A75        2.25877  -0.00003   0.00000  -0.00004  -0.00004   2.25873
   A76        2.12342   0.00003  -0.00009   0.00006  -0.00003   2.12339
   A77        1.86632   0.00001  -0.00002   0.00002   0.00000   1.86632
   A78        2.08603  -0.00001   0.00010  -0.00004   0.00006   2.08609
   A79        2.33077   0.00000  -0.00009   0.00002  -0.00006   2.33071
   A80        1.86647  -0.00001   0.00005  -0.00002   0.00003   1.86651
   A81        2.33014   0.00001  -0.00010  -0.00001  -0.00011   2.33003
   A82        2.08647  -0.00000   0.00005   0.00002   0.00007   2.08655
   A83        1.90012  -0.00001   0.00000  -0.00002  -0.00001   1.90011
   A84        2.26148  -0.00000   0.00006   0.00005   0.00011   2.26159
   A85        2.12077   0.00001  -0.00007  -0.00003  -0.00011   2.12067
   A86        1.90071  -0.00003   0.00005  -0.00002   0.00003   1.90074
   A87        2.26071   0.00002   0.00029  -0.00008   0.00021   2.26092
   A88        2.12112   0.00001  -0.00038   0.00009  -0.00029   2.12084
   A89        1.86661   0.00002   0.00007  -0.00000   0.00007   1.86668
   A90        2.08704   0.00001   0.00029  -0.00005   0.00023   2.08728
   A91        2.32944  -0.00003  -0.00037   0.00006  -0.00031   2.32912
   A92        1.86645   0.00002   0.00011  -0.00002   0.00010   1.86654
   A93        2.32945  -0.00002  -0.00034   0.00006  -0.00028   2.32917
   A94        2.08726  -0.00000   0.00022  -0.00004   0.00018   2.08743
   A95        1.90070  -0.00003  -0.00001  -0.00001  -0.00002   1.90068
   A96        2.26268   0.00001   0.00023  -0.00004   0.00019   2.26287
   A97        2.11929   0.00002  -0.00025   0.00005  -0.00020   2.11909
   A98        1.90085  -0.00000  -0.00005   0.00002  -0.00003   1.90081
   A99        2.25918   0.00001   0.00020  -0.00001   0.00019   2.25937
   A100       2.12282  -0.00001  -0.00016  -0.00001  -0.00017   2.12265
   A101       1.86554   0.00000   0.00014  -0.00004   0.00009   1.86564
   A102       2.08557   0.00001   0.00012   0.00001   0.00013   2.08571
   A103       2.33203  -0.00001  -0.00026   0.00003  -0.00023   2.33180
   A104       1.86523   0.00001   0.00001   0.00003   0.00004   1.86527
   A105       2.33253  -0.00003  -0.00023  -0.00002  -0.00025   2.33228
   A106       2.08538   0.00002   0.00022  -0.00001   0.00020   2.08558
   A107       1.90121  -0.00000   0.00009  -0.00004   0.00005   1.90125
   A108       2.25918   0.00002   0.00016   0.00002   0.00017   2.25935
   A109       2.12245  -0.00001  -0.00027   0.00002  -0.00025   2.12220
   A110       2.08027  -0.00000   0.00004  -0.00001   0.00002   2.08029
   A111       2.09991  -0.00000  -0.00008   0.00003  -0.00006   2.09986
   A112       2.10298   0.00000   0.00005  -0.00001   0.00003   2.10302
   A113       2.10395  -0.00001  -0.00009   0.00001  -0.00007   2.10387
   A114       2.09177   0.00001   0.00007  -0.00001   0.00006   2.09183
   A115       2.08743   0.00000   0.00002  -0.00000   0.00001   2.08744
   A116       2.11924   0.00001   0.00009  -0.00003   0.00006   2.11929
   A117       2.08578   0.00000  -0.00001   0.00002   0.00000   2.08578
   A118       2.07814  -0.00001  -0.00008   0.00001  -0.00006   2.07808
   A119       2.05537  -0.00001  -0.00003   0.00004   0.00001   2.05539
   A120       2.11871   0.00001   0.00005   0.00003   0.00008   2.11879
   A121       2.10900   0.00000  -0.00003  -0.00007  -0.00010   2.10890
   A122       2.05289  -0.00001  -0.00001  -0.00002  -0.00002   2.05287
   A123       2.11913   0.00000   0.00010  -0.00003   0.00007   2.11920
   A124       2.11111   0.00001  -0.00009   0.00005  -0.00004   2.11107
   A125       2.12027  -0.00000   0.00005  -0.00002   0.00003   2.12030
   A126       2.07763  -0.00000   0.00002  -0.00003  -0.00001   2.07762
   A127       2.08527   0.00001  -0.00007   0.00005  -0.00002   2.08525
   A128       2.10452   0.00001  -0.00005   0.00003  -0.00002   2.10450
   A129       2.08709  -0.00000   0.00002  -0.00001   0.00001   2.08710
   A130       2.09155  -0.00000   0.00003  -0.00002   0.00001   2.09156
   A131       2.07904  -0.00000  -0.00002  -0.00001  -0.00002   2.07902
   A132       2.10058   0.00000  -0.00006   0.00004  -0.00003   2.10056
   A133       2.10355   0.00000   0.00008  -0.00003   0.00005   2.10360
   A134       2.08026   0.00000  -0.00004   0.00002  -0.00002   2.08024
   A135       2.09968  -0.00001  -0.00004   0.00001  -0.00003   2.09965
   A136       2.10324   0.00000   0.00008  -0.00003   0.00005   2.10329
   A137       2.10358   0.00000  -0.00007   0.00001  -0.00007   2.10351
   A138       2.09211  -0.00000   0.00005  -0.00002   0.00004   2.09214
   A139       2.08749   0.00000   0.00002   0.00001   0.00003   2.08752
   A140       2.11900  -0.00001   0.00002  -0.00001   0.00001   2.11901
   A141       2.08779   0.00002   0.00012   0.00002   0.00014   2.08793
   A142       2.07639  -0.00001  -0.00015  -0.00001  -0.00015   2.07624
   A143       2.05675  -0.00001   0.00011  -0.00002   0.00010   2.05684
   A144       2.11993   0.00002   0.00019   0.00001   0.00020   2.12013
   A145       2.10649  -0.00002  -0.00030   0.00000  -0.00030   2.10620
   A146       2.05455  -0.00001   0.00014  -0.00004   0.00010   2.05465
   A147       2.11930   0.00002   0.00018  -0.00002   0.00016   2.11946
   A148       2.10928  -0.00001  -0.00032   0.00006  -0.00026   2.10903
   A149       2.12006   0.00000   0.00009  -0.00002   0.00007   2.12012
   A150       2.07759  -0.00001  -0.00016   0.00004  -0.00012   2.07747
   A151       2.08553   0.00001   0.00007  -0.00002   0.00006   2.08558
   A152       2.10386  -0.00000  -0.00015   0.00003  -0.00012   2.10375
   A153       2.08741  -0.00000   0.00007  -0.00004   0.00003   2.08744
   A154       2.09189   0.00001   0.00008   0.00001   0.00008   2.09197
   A155       2.07949  -0.00001   0.00001  -0.00002  -0.00001   2.07948
   A156       2.10023  -0.00001  -0.00004  -0.00001  -0.00005   2.10018
   A157       2.10344   0.00001   0.00004   0.00003   0.00007   2.10351
   A158       2.08005  -0.00001  -0.00002   0.00000  -0.00002   2.08003
   A159       2.10027  -0.00000  -0.00002  -0.00002  -0.00004   2.10023
   A160       2.10285   0.00001   0.00005   0.00002   0.00006   2.10291
   A161       2.10447  -0.00001  -0.00006  -0.00002  -0.00008   2.10438
   A162       2.09162   0.00001  -0.00001   0.00005   0.00004   2.09166
   A163       2.08709   0.00000   0.00007  -0.00003   0.00004   2.08713
   A164       2.11942   0.00001   0.00003   0.00002   0.00005   2.11947
   A165       2.08510   0.00000  -0.00005   0.00004  -0.00001   2.08509
   A166       2.07866  -0.00001   0.00002  -0.00005  -0.00004   2.07862
   A167       2.05447  -0.00000   0.00010  -0.00001   0.00010   2.05456
   A168       2.11732   0.00001   0.00008   0.00003   0.00011   2.11743
   A169       2.11137  -0.00001  -0.00019  -0.00002  -0.00021   2.11117
   A170       2.05398  -0.00000   0.00007  -0.00001   0.00006   2.05404
   A171       2.11765   0.00001   0.00010   0.00004   0.00014   2.11779
   A172       2.11156  -0.00001  -0.00018  -0.00003  -0.00020   2.11135
   A173       2.11975   0.00001   0.00006  -0.00000   0.00006   2.11981
   A174       2.07826  -0.00001  -0.00007  -0.00001  -0.00008   2.07817
   A175       2.08518  -0.00000   0.00002   0.00001   0.00002   2.08520
   A176       2.10453  -0.00001  -0.00014   0.00003  -0.00012   2.10442
   A177       2.08695   0.00001   0.00007  -0.00001   0.00006   2.08702
   A178       2.09169   0.00001   0.00007  -0.00002   0.00006   2.09175
   A179       2.07962   0.00001   0.00005  -0.00003   0.00003   2.07964
   A180       2.10040  -0.00000  -0.00010   0.00004  -0.00006   2.10034
   A181       2.10316  -0.00000   0.00005  -0.00001   0.00004   2.10320
   A182       2.01539   0.00008  -0.00166  -0.00008  -0.00175   2.01365
   A183       1.83867   0.00025   0.00185   0.00016   0.00201   1.84068
   A184       1.71745  -0.00022   0.00086  -0.00137  -0.00051   1.71695
   A185       2.02693  -0.00008  -0.00114   0.00078  -0.00035   2.02658
   A186       2.03937  -0.00002   0.00049   0.00041   0.00090   2.04027
   A187       1.78516  -0.00001   0.00015  -0.00021  -0.00006   1.78510
   A188       2.11982   0.00116  -0.00151   0.00079  -0.00072   2.11910
   A189       2.07493   0.00084  -0.00011   0.00259   0.00248   2.07740
   A190       1.89689  -0.00004   0.00009   0.00074   0.00083   1.89772
   A191       1.90200   0.00058   0.00021  -0.00050  -0.00029   1.90171
   A192       1.84955  -0.00027  -0.00145  -0.00005  -0.00149   1.84805
   A193       1.95340  -0.00026   0.00036  -0.00037  -0.00001   1.95339
   A194       1.95390   0.00014   0.00012   0.00012   0.00023   1.95413
   A195       1.90461  -0.00012   0.00058   0.00006   0.00063   1.90524
   A196       1.90823  -0.00000  -0.00038   0.00021  -0.00017   1.90806
   A197       1.94036  -0.00000   0.00032  -0.00022   0.00010   1.94047
   A198       1.93017   0.00004   0.00030  -0.00001   0.00029   1.93047
   A199       1.89179  -0.00000  -0.00004  -0.00002  -0.00007   1.89172
   A200       1.89017  -0.00002  -0.00029  -0.00004  -0.00033   1.88984
   A201       1.90204  -0.00001   0.00007   0.00009   0.00016   1.90219
   A202       1.94326   0.00018  -0.00043   0.00028  -0.00014   1.94312
   A203       1.82427  -0.00011   0.00114  -0.00105   0.00008   1.82436
   A204       1.90492  -0.00002  -0.00057   0.00065   0.00012   1.90504
   A205       1.94909  -0.00006  -0.00041  -0.00030  -0.00073   1.94837
   A206       1.95210  -0.00007   0.00005   0.00014   0.00019   1.95230
   A207       1.88490   0.00007   0.00023   0.00024   0.00048   1.88539
   A208       1.91141   0.00011   0.00006   0.00005   0.00011   1.91152
   A209       1.93360  -0.00014   0.00061  -0.00057   0.00005   1.93365
   A210       1.93021   0.00001  -0.00007   0.00029   0.00022   1.93042
   A211       1.89957  -0.00002   0.00025  -0.00042  -0.00017   1.89940
   A212       1.88813  -0.00005  -0.00007  -0.00002  -0.00008   1.88805
   A213       1.90007   0.00009  -0.00080   0.00067  -0.00013   1.89994
   A214       2.22008   0.00016   0.00826  -0.00460   0.00366   2.22374
    D1       -0.00088  -0.00001   0.00043  -0.00057  -0.00013  -0.00101
    D2        3.11796  -0.00002  -0.00088  -0.00039  -0.00127   3.11670
    D3        3.13393  -0.00002   0.00046  -0.00080  -0.00034   3.13359
    D4       -0.03041  -0.00003  -0.00086  -0.00062  -0.00148  -0.03189
    D5       -0.03864   0.00002   0.00001   0.00043   0.00044  -0.03820
    D6        3.10844  -0.00001  -0.00086   0.00035  -0.00052   3.10792
    D7        3.10976   0.00003  -0.00002   0.00066   0.00065   3.11040
    D8       -0.02635   0.00001  -0.00089   0.00058  -0.00031  -0.02666
    D9        2.25168   0.00008   0.00482   0.00092   0.00574   2.25742
   D10       -0.88444   0.00008   0.00363   0.00086   0.00449  -0.87995
   D11       -0.89674   0.00007   0.00484   0.00069   0.00553  -0.89121
   D12        2.25032   0.00006   0.00365   0.00063   0.00428   2.25461
   D13        0.05617  -0.00001  -0.00032  -0.00010  -0.00042   0.05575
   D14       -2.99214   0.00002   0.00084  -0.00032   0.00053  -2.99161
   D15       -3.06223  -0.00000   0.00101  -0.00029   0.00073  -3.06150
   D16        0.17265   0.00002   0.00218  -0.00050   0.00168   0.17433
   D17       -0.07237   0.00002  -0.00020   0.00089   0.00069  -0.07168
   D18        3.03836   0.00001   0.00143  -0.00029   0.00114   3.03950
   D19        2.98021  -0.00000  -0.00132   0.00110  -0.00021   2.97999
   D20       -0.19225  -0.00001   0.00031  -0.00007   0.00024  -0.19201
   D21       -2.91632  -0.00004  -0.00296   0.00056  -0.00240  -2.91872
   D22        0.34341  -0.00004  -0.00183   0.00010  -0.00173   0.34168
   D23        0.31787  -0.00001  -0.00181   0.00035  -0.00147   0.31640
   D24       -2.70559  -0.00001  -0.00069  -0.00011  -0.00080  -2.70639
   D25        0.03396  -0.00002   0.00063  -0.00103  -0.00040   0.03356
   D26       -3.11160  -0.00001   0.00055  -0.00066  -0.00010  -3.11171
   D27       -3.07676  -0.00001  -0.00100   0.00015  -0.00085  -3.07761
   D28        0.06086  -0.00000  -0.00108   0.00053  -0.00055   0.06031
   D29       -0.35149  -0.00003  -0.00103   0.00030  -0.00073  -0.35222
   D30        2.86579  -0.00007  -0.00316   0.00085  -0.00231   2.86348
   D31        2.75914  -0.00004   0.00059  -0.00088  -0.00028   2.75886
   D32       -0.30677  -0.00008  -0.00154  -0.00033  -0.00187  -0.30863
   D33        0.02200  -0.00000  -0.00054   0.00037  -0.00017   0.02184
   D34       -3.12512   0.00002   0.00034   0.00045   0.00080  -3.12433
   D35       -3.11552  -0.00001  -0.00045  -0.00002  -0.00047  -3.11599
   D36        0.02053   0.00001   0.00043   0.00006   0.00049   0.02103
   D37        0.11859   0.00005   0.00369  -0.00081   0.00288   0.12146
   D38       -2.92180   0.00003   0.00293  -0.00076   0.00217  -2.91962
   D39       -3.13963   0.00004   0.00260  -0.00037   0.00223  -3.13740
   D40        0.10317   0.00002   0.00184  -0.00032   0.00152   0.10470
   D41        2.97722  -0.00001  -0.00273   0.00101  -0.00172   2.97550
   D42       -0.12748  -0.00001  -0.00296   0.00090  -0.00206  -0.12953
   D43       -0.04736  -0.00001  -0.00161   0.00055  -0.00106  -0.04842
   D44        3.13113  -0.00001  -0.00183   0.00044  -0.00139   3.12974
   D45       -0.63355  -0.00004  -0.00400   0.00094  -0.00305  -0.63660
   D46       -3.03027  -0.00001  -0.00204  -0.00099  -0.00302  -3.03329
   D47        2.40263  -0.00002  -0.00321   0.00087  -0.00234   2.40029
   D48        0.00592   0.00000  -0.00125  -0.00106  -0.00231   0.00361
   D49       -0.08301  -0.00002  -0.00082   0.00006  -0.00076  -0.08378
   D50        2.99870  -0.00001  -0.00024  -0.00044  -0.00068   2.99802
   D51       -3.11927  -0.00003  -0.00157   0.00012  -0.00144  -3.12071
   D52       -0.03756  -0.00002  -0.00099  -0.00038  -0.00136  -0.03892
   D53        0.74480   0.00004   0.00259  -0.00060   0.00198   0.74678
   D54       -2.47660   0.00008   0.00489  -0.00122   0.00366  -2.47294
   D55       -3.12448   0.00000   0.00036   0.00174   0.00210  -3.12238
   D56       -0.06269   0.00004   0.00266   0.00112   0.00379  -0.05890
   D57        2.42671  -0.00002  -0.00003   0.00102   0.00098   2.42769
   D58       -1.09628   0.00006   0.00046   0.00265   0.00310  -1.09318
   D59        0.06008   0.00004   0.00243  -0.00108   0.00136   0.06143
   D60        2.82027   0.00012   0.00292   0.00055   0.00348   2.82375
   D61        3.09669  -0.00003  -0.00203  -0.00092  -0.00296   3.09373
   D62        0.03727  -0.00007  -0.00435  -0.00032  -0.00468   0.03260
   D63       -0.03185  -0.00002   0.00033  -0.00052  -0.00019  -0.03204
   D64       -3.13155  -0.00001   0.00066  -0.00059   0.00007  -3.13148
   D65        3.07343  -0.00002   0.00056  -0.00042   0.00014   3.07357
   D66       -0.02628  -0.00001   0.00090  -0.00049   0.00041  -0.02587
   D67        0.05381   0.00003   0.00072   0.00025   0.00098   0.05479
   D68       -3.05657   0.00001   0.00064   0.00007   0.00072  -3.05585
   D69       -3.12974   0.00002   0.00037   0.00033   0.00070  -3.12904
   D70        0.04306  -0.00001   0.00029   0.00015   0.00044   0.04350
   D71       -2.23134  -0.00005  -0.00310  -0.00030  -0.00340  -2.23474
   D72        0.88987  -0.00002   0.00035  -0.00023   0.00012   0.88998
   D73        0.95268  -0.00004  -0.00276  -0.00037  -0.00313   0.94955
   D74       -2.20930  -0.00001   0.00069  -0.00030   0.00039  -2.20891
   D75        0.00416  -0.00001  -0.00048  -0.00002  -0.00050   0.00366
   D76       -3.07889  -0.00001  -0.00103   0.00045  -0.00057  -3.07947
   D77        3.11439   0.00001  -0.00039   0.00015  -0.00023   3.11416
   D78        0.03134   0.00001  -0.00094   0.00063  -0.00031   0.03103
   D79       -0.03866  -0.00010  -0.00548   0.00034  -0.00514  -0.04380
   D80       -3.13760  -0.00008  -0.00602   0.00129  -0.00473   3.14085
   D81       -2.79333  -0.00016  -0.00542  -0.00156  -0.00699  -2.80032
   D82        0.39091  -0.00014  -0.00596  -0.00061  -0.00657   0.38434
   D83        0.16764  -0.00004   0.00022  -0.00279  -0.00258   0.16506
   D84       -2.09339  -0.00020   0.00141  -0.00391  -0.00250  -2.09589
   D85        2.35232  -0.00018   0.00054  -0.00328  -0.00273   2.34959
   D86        2.92788  -0.00003   0.00044  -0.00119  -0.00075   2.92713
   D87        0.66685  -0.00019   0.00163  -0.00230  -0.00067   0.66618
   D88       -1.17062  -0.00017   0.00076  -0.00167  -0.00090  -1.17152
   D89        0.01140   0.00007   0.00398   0.00054   0.00453   0.01593
   D90       -3.10496   0.00004   0.00226   0.00012   0.00238  -3.10258
   D91        3.11263   0.00006   0.00450  -0.00036   0.00414   3.11677
   D92       -0.00373   0.00002   0.00277  -0.00078   0.00199  -0.00174
   D93        3.12390  -0.00002  -0.00162  -0.00030  -0.00192   3.12198
   D94       -0.02097  -0.00006  -0.00081  -0.00147  -0.00228  -0.02325
   D95        0.02451  -0.00001  -0.00214   0.00063  -0.00151   0.02301
   D96       -3.12035  -0.00004  -0.00133  -0.00054  -0.00187  -3.12223
   D97       -0.01067   0.00002   0.00097  -0.00054   0.00043  -0.01023
   D98        3.10659   0.00005   0.00263  -0.00013   0.00250   3.10910
   D99       -0.01789  -0.00002  -0.00173   0.00065  -0.00108  -0.01897
   D100       3.11599  -0.00001  -0.00147   0.00038  -0.00109   3.11490
   D101      -3.13571  -0.00005  -0.00336   0.00025  -0.00311  -3.13881
   D102      -0.00183  -0.00004  -0.00310  -0.00002  -0.00311  -0.00494
   D103      -0.02434  -0.00002   0.00043  -0.00034   0.00010  -0.02424
   D104       3.11520  -0.00003  -0.00048  -0.00045  -0.00092   3.11428
   D105       3.12046   0.00002  -0.00035   0.00081   0.00045   3.12091
   D106      -0.02318   0.00000  -0.00126   0.00070  -0.00057  -0.02375
   D107       0.00241   0.00002   0.00068   0.00017   0.00086   0.00327
   D108      -3.13890   0.00001   0.00058  -0.00003   0.00055  -3.13835
   D109      -3.13713   0.00003   0.00160   0.00028   0.00188  -3.13525
   D110       0.00475   0.00003   0.00149   0.00008   0.00157   0.00632
   D111       0.01848  -0.00001  -0.00003  -0.00033  -0.00036   0.01812
   D112      -3.11509  -0.00001  -0.00029  -0.00006  -0.00035  -3.11544
   D113      -3.12340   0.00000   0.00008  -0.00013  -0.00005  -3.12345
   D114       0.02622  -0.00000  -0.00019   0.00015  -0.00004   0.02618
   D115      -2.17185  -0.00004  -0.00242  -0.00053  -0.00295  -2.17480
   D116       0.96763  -0.00008  -0.00611  -0.00062  -0.00673   0.96089
   D117       0.97004  -0.00005  -0.00253  -0.00074  -0.00327   0.96677
   D118      -2.17367  -0.00009  -0.00622  -0.00083  -0.00705  -2.18072
   D119      -3.13943  -0.00000  -0.00103   0.00003  -0.00099  -3.14042
   D120      -0.03647  -0.00003  -0.00231  -0.00018  -0.00250  -0.03896
   D121      -0.00250   0.00000  -0.00001   0.00008   0.00007  -0.00243
   D122       3.10046  -0.00003  -0.00130  -0.00013  -0.00143   3.09903
   D123       3.14050   0.00001   0.00101  -0.00004   0.00098   3.14147
   D124      -0.03570  -0.00000   0.00001  -0.00003  -0.00002  -0.03572
   D125       0.00358  -0.00000  -0.00000  -0.00009  -0.00009   0.00349
   D126       3.11057  -0.00001  -0.00101  -0.00008  -0.00109   3.10948
   D127       3.12287   0.00002   0.00255  -0.00004   0.00251   3.12538
   D128       0.01817   0.00003   0.00339  -0.00004   0.00336   0.02152
   D129      -0.00137  -0.00000  -0.00039  -0.00010  -0.00049  -0.00186
   D130      -3.10607  -0.00000   0.00045  -0.00009   0.00036  -3.10571
   D131      -3.12416  -0.00002  -0.00250   0.00001  -0.00249  -3.12665
   D132       0.06105  -0.00002  -0.00237   0.00006  -0.00231   0.05874
   D133      -0.00005   0.00000   0.00046   0.00007   0.00053   0.00048
   D134      -3.09803   0.00000   0.00059   0.00011   0.00071  -3.09732
   D135       3.13646  -0.00003  -0.00280   0.00003  -0.00277   3.13369
   D136       0.02300  -0.00002  -0.00244   0.00036  -0.00208   0.02092
   D137      -0.00332   0.00000   0.00035   0.00011   0.00046  -0.00286
   D138      -3.11678   0.00001   0.00072   0.00043   0.00115  -3.11563
   D139      -3.13758   0.00003   0.00283  -0.00006   0.00276  -3.13481
   D140       0.03258   0.00005   0.00396   0.00015   0.00410   0.03668
   D141       0.00221  -0.00000  -0.00033  -0.00014  -0.00046   0.00174
   D142      -3.11082   0.00001   0.00081   0.00007   0.00088  -3.10995
   D143       0.00221   0.00000   0.00016   0.00010   0.00026   0.00247
   D144      -3.12870   0.00000   0.00051  -0.00000   0.00051  -3.12819
   D145       3.11032  -0.00000  -0.00060   0.00009  -0.00051   3.10981
   D146      -0.02059  -0.00000  -0.00025  -0.00001  -0.00026  -0.02085
   D147       3.12045   0.00000  -0.00066   0.00004  -0.00063   3.11982
   D148      -0.01045   0.00000  -0.00093   0.00026  -0.00067  -0.01111
   D149       0.01987   0.00000   0.00027   0.00005   0.00031   0.02018
   D150      -3.11103   0.00000  -0.00000   0.00027   0.00027  -3.11075
   D151      -0.00220   0.00000   0.00012  -0.00005   0.00006  -0.00214
   D152       3.12369  -0.00000   0.00030  -0.00029   0.00002   3.12370
   D153       3.12656   0.00000  -0.00030   0.00006  -0.00024   3.12633
   D154      -0.03073  -0.00000  -0.00011  -0.00017  -0.00028  -0.03101
   D155       0.00622   0.00000   0.00014  -0.00005   0.00009   0.00631
   D156       3.14148   0.00001   0.00021   0.00005   0.00025  -3.14145
   D157      -3.12127   0.00000   0.00060  -0.00018   0.00042  -3.12085
   D158       0.01399   0.00001   0.00067  -0.00009   0.00058   0.01457
   D159       0.00140  -0.00000  -0.00035  -0.00001  -0.00036   0.00104
   D160       3.10356  -0.00000  -0.00047  -0.00005  -0.00052   3.10304
   D161      -3.12710  -0.00000  -0.00051   0.00019  -0.00032  -3.12742
   D162      -0.02494  -0.00000  -0.00062   0.00015  -0.00048  -0.02542
   D163      -3.11651  -0.00000   0.00008   0.00018   0.00026  -3.11625
   D164       0.01872   0.00000  -0.00027   0.00037   0.00010   0.01881
   D165       0.00782  -0.00000   0.00029  -0.00008   0.00021   0.00803
   D166      -3.14014   0.00000  -0.00006   0.00011   0.00005  -3.14010
   D167       3.11655   0.00001   0.00032  -0.00008   0.00025   3.11680
   D168      -0.00958  -0.00002   0.00104  -0.00087   0.00017  -0.00942
   D169       0.02337   0.00001   0.00047  -0.00003   0.00045   0.02382
   D170      -3.10276  -0.00002   0.00119  -0.00082   0.00037  -3.10240
   D171       0.00049  -0.00000   0.00002  -0.00005  -0.00003   0.00046
   D172       3.12925  -0.00002  -0.00063   0.00003  -0.00060   3.12865
   D173      -3.10614   0.00002   0.00117   0.00015   0.00132  -3.10482
   D174       0.02261   0.00001   0.00052   0.00023   0.00075   0.02336
   D175      -3.12016   0.00002   0.00080  -0.00001   0.00079  -3.11938
   D176       0.01060   0.00001   0.00053  -0.00008   0.00045   0.01105
   D177      -0.02145  -0.00002  -0.00062  -0.00025  -0.00087  -0.02233
   D178       3.10930  -0.00002  -0.00089  -0.00032  -0.00121   3.10810
   D179       0.00167   0.00000  -0.00002  -0.00001  -0.00003   0.00164
   D180      -3.13114   0.00001   0.00043   0.00018   0.00061  -3.13053
   D181      -3.12454   0.00002   0.00075  -0.00010   0.00065  -3.12389
   D182       0.02583   0.00003   0.00120   0.00009   0.00129   0.02712
   D183      -0.00723   0.00000   0.00000  -0.00008  -0.00007  -0.00730
   D184       3.14091   0.00000  -0.00007   0.00009   0.00002   3.14093
   D185       3.11745  -0.00001  -0.00085   0.00003  -0.00082   3.11662
   D186      -0.01760  -0.00001  -0.00092   0.00019  -0.00073  -0.01833
   D187      -0.00323   0.00000   0.00002   0.00006   0.00007  -0.00316
   D188      -3.11360   0.00001   0.00091   0.00005   0.00096  -3.11263
   D189       3.13103  -0.00001  -0.00036  -0.00010  -0.00046   3.13057
   D190       0.02067  -0.00000   0.00054  -0.00011   0.00043   0.02109
   D191       3.12753  -0.00001  -0.00072  -0.00006  -0.00078   3.12675
   D192      -0.01130  -0.00001  -0.00047  -0.00014  -0.00061  -0.01191
   D193      -0.00440  -0.00000  -0.00023   0.00015  -0.00008  -0.00448
   D194       3.13996   0.00001   0.00002   0.00007   0.00009   3.14005
   D195      -3.12570   0.00001   0.00063   0.00003   0.00066  -3.12504
   D196       0.01020  -0.00000   0.00044  -0.00023   0.00021   0.01042
   D197      -0.02247   0.00000  -0.00049   0.00004  -0.00044  -0.02292
   D198       3.11343  -0.00001  -0.00067  -0.00022  -0.00089   3.11254
   D199       0.00311  -0.00000  -0.00024  -0.00004  -0.00028   0.00283
   D200      -3.13042   0.00000   0.00000   0.00000   0.00000  -3.13042
   D201       3.11918  -0.00001  -0.00056  -0.00033  -0.00090   3.11829
   D202      -0.01435  -0.00001  -0.00032  -0.00029  -0.00061  -0.01496
   D203       3.12400  -0.00001  -0.00021  -0.00015  -0.00035   3.12365
   D204      -0.01464  -0.00000   0.00006  -0.00007  -0.00000  -0.01464
   D205       0.01367   0.00000   0.00020   0.00021   0.00041   0.01408
   D206      -3.12498   0.00001   0.00047   0.00029   0.00076  -3.12422
   D207      -0.00173  -0.00000   0.00003  -0.00004  -0.00001  -0.00173
   D208       3.12898  -0.00001  -0.00074   0.00015  -0.00059   3.12839
   D209       3.13017  -0.00001  -0.00025  -0.00009  -0.00034   3.12983
   D210      -0.02231  -0.00002  -0.00103   0.00010  -0.00092  -0.02323
   D211       0.00454   0.00001   0.00023   0.00018   0.00041   0.00495
   D212      -3.14060  -0.00000  -0.00002   0.00009   0.00007  -3.14053
   D213      -3.12640   0.00002   0.00054   0.00023   0.00077  -3.12562
   D214       0.01165   0.00000   0.00030   0.00015   0.00044   0.01209
   D215      -0.00027   0.00000   0.00018   0.00011   0.00029   0.00002
   D216       3.11542  -0.00001  -0.00084  -0.00008  -0.00092   3.11450
   D217      -3.13281   0.00001   0.00083  -0.00005   0.00077  -3.13204
   D218      -0.01712  -0.00000  -0.00019  -0.00024  -0.00043  -0.01755
   D219      -3.12397   0.00001   0.00065  -0.00009   0.00055  -3.12342
   D220       0.01268   0.00000   0.00067  -0.00030   0.00037   0.01305
   D221       0.00565  -0.00000  -0.00021   0.00012  -0.00009   0.00557
   D222      -3.14088  -0.00001  -0.00018  -0.00009  -0.00027  -3.14116
   D223       3.12601  -0.00001  -0.00085  -0.00002  -0.00087   3.12514
   D224      -0.00719  -0.00001  -0.00072   0.00002  -0.00071  -0.00790
   D225       0.01614   0.00001   0.00040   0.00021   0.00061   0.01676
   D226      -3.11706   0.00001   0.00053   0.00025   0.00078  -3.11628
   D227       0.00974   0.00000   0.00018  -0.00010   0.00007   0.00982
   D228      -3.14110   0.00001   0.00002   0.00015   0.00017  -3.14094
   D229      -3.12547  -0.00001   0.00053  -0.00029   0.00024  -3.12523
   D230       0.00687   0.00001   0.00037  -0.00004   0.00033   0.00720
   D231      -0.01116   0.00001  -0.00033   0.00023  -0.00010  -0.01126
   D232       3.12196   0.00001  -0.00075   0.00041  -0.00034   3.12162
   D233       3.13967  -0.00000  -0.00017  -0.00002  -0.00019   3.13947
   D234      -0.01040  -0.00000  -0.00060   0.00016  -0.00044  -0.01083
   D235      -0.00541  -0.00002   0.00000  -0.00016  -0.00016  -0.00557
   D236       3.12081   0.00002  -0.00071   0.00063  -0.00008   3.12073
   D237      -3.13857  -0.00002   0.00042  -0.00034   0.00008  -3.13849
   D238      -0.01235   0.00002  -0.00029   0.00045   0.00016  -0.01218
   D239      -0.00543  -0.00001  -0.00018  -0.00002  -0.00021  -0.00563
   D240       3.14153  -0.00000  -0.00024   0.00002  -0.00022   3.14130
   D241       3.12552  -0.00000   0.00008  -0.00025  -0.00017   3.12535
   D242      -0.01071  -0.00000   0.00003  -0.00021  -0.00018  -0.01090
   D243      -0.00841   0.00000   0.00009  -0.00004   0.00005  -0.00837
   D244       3.14030   0.00000  -0.00002   0.00009   0.00007   3.14037
   D245       3.12779   0.00000   0.00014  -0.00008   0.00006   3.12786
   D246      -0.00668   0.00000   0.00003   0.00006   0.00009  -0.00659
   D247       0.00786  -0.00000  -0.00006   0.00007   0.00001   0.00788
   D248      -3.12738  -0.00001  -0.00013  -0.00002  -0.00015  -3.12753
   D249      -3.14087  -0.00000   0.00005  -0.00006  -0.00001  -3.14088
   D250       0.00707  -0.00001  -0.00002  -0.00015  -0.00017   0.00690
   D251      -0.00911   0.00000  -0.00011  -0.00012  -0.00023  -0.00935
   D252       3.13578   0.00001   0.00000  -0.00001  -0.00001   3.13577
   D253       3.12971  -0.00001  -0.00036  -0.00004  -0.00041   3.12930
   D254      -0.00859   0.00000  -0.00025   0.00007  -0.00018  -0.00877
   D255       0.00706   0.00000   0.00016   0.00006   0.00022   0.00727
   D256      -3.13714  -0.00000  -0.00030   0.00016  -0.00014  -3.13728
   D257      -3.13782  -0.00000   0.00005  -0.00006  -0.00001  -3.13784
   D258       0.00117  -0.00001  -0.00041   0.00004  -0.00037   0.00080
   D259       0.00869  -0.00001   0.00014  -0.00001   0.00013   0.00882
   D260      -3.12726   0.00001   0.00032   0.00024   0.00057  -3.12669
   D261      -3.13032  -0.00000   0.00059  -0.00011   0.00048  -3.12984
   D262       0.01692   0.00002   0.00078   0.00014   0.00092   0.01784
   D263       0.00560   0.00001   0.00023   0.00013   0.00036   0.00596
   D264      -3.14059   0.00000   0.00013   0.00003   0.00016  -3.14043
   D265      -3.12522   0.00001   0.00049   0.00019   0.00069  -3.12454
   D266       0.01177   0.00001   0.00039   0.00010   0.00049   0.01226
   D267       0.00925   0.00000   0.00028   0.00002   0.00030   0.00955
   D268      -3.13989   0.00000  -0.00016   0.00023   0.00007  -3.13982
   D269      -3.12772   0.00001   0.00038   0.00012   0.00050  -3.12722
   D270       0.00632   0.00001  -0.00005   0.00032   0.00027   0.00659
   D271      -0.00827  -0.00001  -0.00039  -0.00005  -0.00044  -0.00871
   D272       3.12677  -0.00001  -0.00032  -0.00021  -0.00053   3.12624
   D273       3.14090  -0.00001   0.00004  -0.00025  -0.00021   3.14069
   D274      -0.00725  -0.00001   0.00011  -0.00042  -0.00031  -0.00755
   D275       0.00600   0.00001   0.00039   0.00001   0.00040   0.00640
   D276      -3.14085  -0.00000  -0.00007   0.00006  -0.00001  -3.14086
   D277      -3.13065   0.00001   0.00037   0.00023   0.00059  -3.13005
   D278       0.00569   0.00000  -0.00010   0.00027   0.00018   0.00587
   D279      -0.00685  -0.00000  -0.00017  -0.00004  -0.00022  -0.00707
   D280       3.13064  -0.00001  -0.00040  -0.00002  -0.00042   3.13022
   D281       3.13998   0.00000   0.00029  -0.00009   0.00020   3.14018
   D282      -0.00571   0.00000   0.00006  -0.00007  -0.00001  -0.00571
   D283      -0.00420  -0.00000  -0.00022  -0.00007  -0.00029  -0.00450
   D284       3.12903  -0.00001  -0.00035  -0.00011  -0.00045   3.12858
   D285       3.14147  -0.00000   0.00000  -0.00009  -0.00009   3.14139
   D286      -0.00848  -0.00000  -0.00012  -0.00013  -0.00025  -0.00873
   D287      -0.00362   0.00000   0.00001  -0.00002  -0.00001  -0.00363
   D288       3.13959   0.00000  -0.00007  -0.00006  -0.00013   3.13946
   D289       3.13504  -0.00001  -0.00026  -0.00010  -0.00036   3.13468
   D290      -0.00494  -0.00001  -0.00034  -0.00014  -0.00048  -0.00542
   D291      -0.00583   0.00000  -0.00010  -0.00009  -0.00019  -0.00602
   D292       3.13867   0.00000   0.00003   0.00001   0.00004   3.13871
   D293       3.13414   0.00000  -0.00002  -0.00005  -0.00007   3.13407
   D294      -0.00454   0.00001   0.00011   0.00005   0.00016  -0.00438
   D295       0.00526  -0.00001  -0.00002   0.00000  -0.00002   0.00525
   D296      -3.13277   0.00000   0.00022   0.00009   0.00032  -3.13246
   D297      -3.13925  -0.00001  -0.00016  -0.00009  -0.00024  -3.13950
   D298       0.00590   0.00000   0.00009  -0.00000   0.00009   0.00598
   D299       1.81375   0.00038  -0.01298   0.00091  -0.01207   1.80167
   D300      -0.44048   0.00012  -0.01147   0.00030  -0.01118  -0.45166
   D301      -2.68212   0.00021  -0.01148  -0.00059  -0.01207  -2.69418
   D302       3.09592   0.00017  -0.00771   0.00243  -0.00528   3.09064
   D303      -1.01960   0.00009  -0.00890   0.00156  -0.00733  -1.02694
   D304       1.21416  -0.00004  -0.00992   0.00269  -0.00723   1.20692
   D305      -2.32290   0.00021   0.00781   0.00278   0.01059  -2.31231
   D306      -0.18991   0.00022   0.00844   0.00248   0.01091  -0.17900
   D307       1.85754   0.00022   0.00843   0.00227   0.01071   1.86824
   D308       1.53932   0.00004   0.02244   0.00120   0.02364   1.56296
   D309      -2.63692   0.00000   0.02238   0.00035   0.02275  -2.61417
   D310      -0.62410   0.00002   0.02304   0.00038   0.02340  -0.60069
   D311      -3.07543   0.00028   0.00006   0.00080   0.00086  -3.07457
   D312      -0.98740   0.00028  -0.00004   0.00077   0.00073  -0.98667
   D313       1.12802   0.00028   0.00047   0.00073   0.00120   1.12921
   D314       1.10629  -0.00025  -0.00049   0.00116   0.00068   1.10696
   D315      -3.08887  -0.00025  -0.00059   0.00113   0.00054  -3.08833
   D316      -0.97345  -0.00024  -0.00008   0.00109   0.00101  -0.97244
   D317      -1.03849   0.00000  -0.00159   0.00127  -0.00031  -1.03880
   D318       1.04954  -0.00000  -0.00169   0.00124  -0.00045   1.04910
   D319      -3.11823   0.00000  -0.00118   0.00120   0.00002  -3.11821
   D320      -0.92430  -0.00023  -0.00962  -0.00140  -0.01102  -0.93532
   D321       1.17419  -0.00006  -0.00913  -0.00104  -0.01017   1.16401
   D322      -2.93651  -0.00015  -0.00833  -0.00110  -0.00942  -2.94594
   D323       3.08532   0.00001   0.00128   0.00046   0.00175   3.08707
   D324      -1.10236  -0.00004   0.00201  -0.00039   0.00164  -1.10072
   D325       1.00608  -0.00001   0.00136   0.00027   0.00165   1.00773
   D326       1.05336   0.00006   0.00040   0.00179   0.00220   1.05555
   D327      -3.13433   0.00002   0.00114   0.00094   0.00208  -3.13225
   D328      -1.02589   0.00004   0.00049   0.00160   0.00209  -1.02380
   D329      -1.06142   0.00006   0.00037   0.00160   0.00195  -1.05947
   D330       1.03408   0.00002   0.00110   0.00075   0.00184   1.03592
   D331      -3.14067   0.00004   0.00045   0.00141   0.00185  -3.13882
         Item               Value     Threshold  Converged?
 Maximum Force            0.001157     0.000450     NO 
 RMS     Force            0.000085     0.000300     YES
 Maximum Displacement     0.101890     0.001800     NO 
 RMS     Displacement     0.013659     0.001200     NO 
 Predicted change in Energy=-9.566104D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
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 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.591369    3.246967    0.116363
      2          6           0       -2.752125    1.866740    0.257800
      3          6           0       -1.649991    1.004727    0.204502
      4          6           0       -0.358529    1.555679    0.073005
      5          6           0       -0.205302    2.939255   -0.088400
      6          6           0       -1.307362    3.781123   -0.081026
      7          6           0       -1.787651   -0.463646    0.163534
      8          6           0       -0.657090   -1.289636    0.381829
      9          6           0        0.629046   -0.648506    0.807217
     10          6           0        0.825174    0.685047    0.143632
     11          6           0       -2.995748   -1.051802   -0.229123
     12          6           0       -3.093688   -2.424088   -0.464588
     13          6           0       -1.949962   -3.221038   -0.341762
     14          6           0       -0.753539   -2.652865    0.073870
     15          7           0        1.785839   -1.471282    0.891328
     16          6           0        3.036737   -0.965120    0.426341
     17          6           0        3.079968    0.323279   -0.155347
     18          7           0        1.960442    1.125787   -0.277366
     19          6           0        4.229594   -1.704773    0.470706
     20          6           0        5.418050   -1.175452   -0.016011
     21          6           0        5.460670    0.102576   -0.593590
     22          6           0        4.283166    0.835484   -0.666281
     23          7           0       -3.720445    4.099780    0.163732
     24          7           0       -4.324079   -2.992214   -0.872618
     25          7           0        6.679683    0.629725   -1.090215
     26          6           0       -4.957204   -4.086990   -0.266041
     27          6           0       -6.175010   -4.345726   -0.943236
     28          6           0       -6.282166   -3.368365   -2.006769
     29          6           0       -5.126424   -2.550282   -1.934124
     30          6           0       -3.851689    5.244655    0.964131
     31          6           0       -5.123569    5.824966    0.730514
     32          6           0       -5.791432    4.996987   -0.252040
     33          6           0       -4.901438    3.942804   -0.577544
     34          6           0        7.260031    1.848133   -0.714324
     35          6           0        8.476866    2.015423   -1.422760
     36          6           0        8.636629    0.849021   -2.266039
     37          6           0        7.511518    0.017122   -2.035367
     38          6           0       -7.233530   -3.131813   -3.005432
     39          6           0       -7.020126   -2.101003   -3.915715
     40          6           0       -5.859137   -1.313314   -3.843029
     41          6           0       -4.896823   -1.526641   -2.857866
     42          6           0       -4.564042   -4.834150    0.847388
     43          6           0       -5.402379   -5.867310    1.260736
     44          6           0       -6.604978   -6.149028    0.590940
     45          6           0       -6.998381   -5.389998   -0.506970
     46          6           0       -7.041136    5.064822   -0.878261
     47          6           0       -7.384075    4.095121   -1.815590
     48          6           0       -6.484347    3.066180   -2.139428
     49          6           0       -5.233485    2.977735   -1.532457
     50          6           0       -2.964818    5.781438    1.901399
     51          6           0       -3.360690    6.928986    2.585193
     52          6           0       -4.609822    7.527788    2.351578
     53          6           0       -5.496204    6.978005    1.430560
     54          6           0        9.611133    0.450086   -3.188011
     55          6           0        9.451192   -0.754944   -3.865575
     56          6           0        8.322874   -1.560023   -3.635302
     57          6           0        7.338251   -1.187268   -2.722814
     58          6           0        6.817879    2.792800    0.215555
     59          6           0        7.607320    3.923105    0.415376
     60          6           0        8.809831    4.111187   -0.286914
     61          6           0        9.250437    3.161095   -1.203150
     62          8           0        0.466023   -3.065039    2.690944
     63         15           0        1.769707   -2.797058    2.057031
     64          8           0        2.990547   -2.505955    3.051616
     65          8           0        2.368774   -3.950615    1.108289
     66          6           0        2.768598   -1.960343    4.396714
     67          6           0        3.729567   -0.811215    4.620121
     68          6           0        2.611219   -5.276741    1.671376
     69          6           0        1.387013   -6.164729    1.539990
     70          1           0       -3.747219    1.476514    0.432597
     71          1           0        0.795075    3.336250   -0.215659
     72          1           0       -1.186257    4.849290   -0.222153
     73          1           0       -3.872210   -0.436808   -0.389531
     74          1           0       -1.995385   -4.273127   -0.599213
     75          1           0        0.124086   -3.281957    0.102302
     76          1           0        4.244423   -2.698932    0.887977
     77          1           0        6.328818   -1.759996    0.054742
     78          1           0        4.255021    1.817397   -1.123898
     79          1           0       -8.124145   -3.750057   -3.071665
     80          1           0       -7.751405   -1.907684   -4.694360
     81          1           0       -5.700749   -0.525241   -4.573526
     82          1           0       -3.995204   -0.925519   -2.822366
     83          1           0       -3.645191   -4.614617    1.379695
     84          1           0       -5.118995   -6.462945    2.123416
     85          1           0       -7.234388   -6.962231    0.938830
     86          1           0       -7.934550   -5.600211   -1.016131
     87          1           0       -7.732589    5.866947   -0.636336
     88          1           0       -8.352752    4.133979   -2.304072
     89          1           0       -6.765392    2.319301   -2.875947
     90          1           0       -4.543012    2.186608   -1.801367
     91          1           0       -2.004983    5.318865    2.101121
     92          1           0       -2.687507    7.364657    3.317506
     93          1           0       -4.886618    8.422543    2.900457
     94          1           0       -6.467727    7.433061    1.260466
     95          1           0       10.478646    1.076558   -3.374960
     96          1           0       10.200798   -1.075199   -4.582563
     97          1           0        8.210924   -2.491868   -4.181813
     98          1           0        6.464603   -1.808678   -2.559884
     99          1           0        5.894547    2.652585    0.766425
    100          1           0        7.283896    4.672752    1.131485
    101          1           0        9.399950    5.004875   -0.109282
    102          1           0       10.184442    3.303601   -1.739197
    103          1           0        1.728446   -1.644055    4.483631
    104          1           0        2.951495   -2.787015    5.089018
    105          1           0        3.619895   -0.441184    5.644737
    106          1           0        4.766160   -1.129492    4.477354
    107          1           0        3.512320    0.010770    3.933782
    108          1           0        3.455695   -5.667548    1.098578
    109          1           0        2.928555   -5.171748    2.713712
    110          1           0        1.618450   -7.165566    1.919535
    111          1           0        0.549222   -5.756746    2.109677
    112          1           0        1.089660   -6.257740    0.491454
    113         17           0        0.312806    0.115683    2.766603
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351487           0.0181459           0.0142645
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10692.3293685160 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000259    0.000047   -0.000194 Ang=   0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48645470     A.U. after   10 cycles
            NFock= 10  Conv=0.58D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
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 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005794   -0.000017892    0.000017590
      2        6          -0.000114507    0.000038663   -0.000012168
      3        6           0.000022353   -0.000184588   -0.000011050
      4        6          -0.000009272    0.000046292   -0.000113987
      5        6           0.000044277    0.000008241    0.000027095
      6        6           0.000013584    0.000066499    0.000042767
      7        6           0.000015411    0.000159939    0.000004858
      8        6           0.000191902    0.000191929    0.000178230
      9        6          -0.000089139   -0.000032862   -0.000194381
     10        6          -0.000010128   -0.000213064    0.000266166
     11        6          -0.000047448   -0.000050828   -0.000022077
     12        6          -0.000030477    0.000036908    0.000012374
     13        6           0.000129822   -0.000013096   -0.000038925
     14        6          -0.000028326   -0.000117860   -0.000037110
     15        7          -0.000145710   -0.000004576   -0.000003981
     16        6          -0.000009575    0.000201608    0.000140751
     17        6           0.000187938   -0.000114262   -0.000107213
     18        7          -0.000043060    0.000149936   -0.000118468
     19        6          -0.000167114   -0.000120895    0.000033499
     20        6           0.000111994    0.000014244   -0.000043422
     21        6          -0.000060928   -0.000159841    0.000085916
     22        6          -0.000160014    0.000023445    0.000060950
     23        7           0.000004354   -0.000045945   -0.000009331
     24        7          -0.000026009   -0.000027401    0.000108782
     25        7          -0.000025325    0.000134141   -0.000082063
     26        6           0.000025622   -0.000017680   -0.000003015
     27        6          -0.000000378   -0.000007203    0.000008892
     28        6          -0.000008625    0.000027458   -0.000007796
     29        6          -0.000041820    0.000033569   -0.000042389
     30        6           0.000036350    0.000133891   -0.000022928
     31        6           0.000034985    0.000042448   -0.000014059
     32        6          -0.000038747   -0.000042059    0.000009702
     33        6          -0.000027901   -0.000044864   -0.000019292
     34        6          -0.000053319   -0.000020289   -0.000004932
     35        6           0.000021573    0.000036436   -0.000024621
     36        6           0.000026066   -0.000031493    0.000025069
     37        6           0.000061624   -0.000092094    0.000034868
     38        6          -0.000009377   -0.000022109   -0.000006799
     39        6          -0.000006288   -0.000003155   -0.000033050
     40        6          -0.000004852    0.000064150   -0.000025852
     41        6           0.000039357   -0.000038780   -0.000034326
     42        6           0.000058250    0.000029147    0.000021404
     43        6           0.000009344   -0.000024860    0.000011678
     44        6           0.000002647   -0.000012379    0.000008456
     45        6          -0.000013827    0.000011580   -0.000018329
     46        6          -0.000018974    0.000050172    0.000022228
     47        6          -0.000021950   -0.000015763   -0.000009455
     48        6          -0.000028672   -0.000014747   -0.000036636
     49        6           0.000039553   -0.000027388    0.000033734
     50        6           0.000020935   -0.000032623    0.000015452
     51        6           0.000026032   -0.000005614    0.000002568
     52        6          -0.000013327   -0.000001968    0.000013046
     53        6          -0.000025952   -0.000017398    0.000015207
     54        6           0.000010159    0.000024157   -0.000011418
     55        6           0.000029511    0.000015718   -0.000016963
     56        6          -0.000021428   -0.000019201   -0.000009826
     57        6          -0.000019935    0.000019211   -0.000005074
     58        6          -0.000012411   -0.000008829   -0.000012671
     59        6           0.000001067    0.000001164    0.000009131
     60        6           0.000005262    0.000006518    0.000005044
     61        6           0.000022549   -0.000000649   -0.000017782
     62        8          -0.000017072   -0.000163685    0.000143194
     63       15          -0.000038394    0.000216568   -0.000279890
     64        8          -0.000089712   -0.000277957    0.000169140
     65        8           0.000114434   -0.000119829    0.000268917
     66        6           0.000026500    0.000228605   -0.000586870
     67        6           0.000027606    0.000059866   -0.000047904
     68        6           0.000101836    0.000053293   -0.000035382
     69        6          -0.000051395    0.000075552   -0.000210414
     70        1           0.000043679   -0.000019166   -0.000006381
     71        1           0.000000536    0.000015104    0.000006176
     72        1          -0.000007300   -0.000024061    0.000000027
     73        1           0.000004382    0.000028225   -0.000024266
     74        1          -0.000024613    0.000012952    0.000019264
     75        1           0.000002213    0.000025644    0.000006187
     76        1           0.000062077    0.000158580   -0.000009361
     77        1           0.000021782    0.000022327   -0.000003819
     78        1           0.000067827    0.000025978   -0.000020597
     79        1          -0.000001580    0.000006845    0.000005499
     80        1           0.000001485    0.000004834    0.000010353
     81        1          -0.000002599   -0.000038480    0.000039998
     82        1          -0.000002266    0.000027968    0.000026116
     83        1          -0.000040988   -0.000001275   -0.000021008
     84        1           0.000000704    0.000009652   -0.000006882
     85        1          -0.000001350    0.000004037    0.000001862
     86        1           0.000001772   -0.000002218    0.000000654
     87        1           0.000040184   -0.000030733   -0.000017108
     88        1           0.000015902    0.000007346    0.000003248
     89        1           0.000012092    0.000010833    0.000012749
     90        1          -0.000006727    0.000010498   -0.000011162
     91        1          -0.000012344    0.000000417    0.000003218
     92        1           0.000000988   -0.000003135    0.000000069
     93        1           0.000004898    0.000008279   -0.000007021
     94        1           0.000000371   -0.000006424   -0.000005544
     95        1          -0.000012837   -0.000006332    0.000002869
     96        1          -0.000009871   -0.000002536    0.000009496
     97        1          -0.000004371    0.000010827    0.000017409
     98        1           0.000000321   -0.000003736    0.000000661
     99        1          -0.000010460   -0.000004534    0.000014398
    100        1          -0.000002550   -0.000002925   -0.000002636
    101        1           0.000006759    0.000005097    0.000003655
    102        1          -0.000015224   -0.000004171    0.000010068
    103        1          -0.000065556   -0.000230914    0.000534453
    104        1           0.000019778    0.000016641   -0.000025893
    105        1           0.000005903   -0.000011481    0.000033183
    106        1          -0.000063100    0.000018404    0.000000579
    107        1          -0.000001426   -0.000001156    0.000031992
    108        1          -0.000055207    0.000037123   -0.000020021
    109        1          -0.000041741   -0.000125698   -0.000070296
    110        1          -0.000079346    0.000005940    0.000062872
    111        1           0.000041128    0.000076860    0.000153911
    112        1           0.000074701   -0.000033550    0.000015303
    113       17           0.000094675   -0.000033511   -0.000239138
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000586870 RMS     0.000081649

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001104183 RMS     0.000067471
 Search for a local minimum.
 Step number  34 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
                                                     34
 DE= -7.90D-06 DEPred=-9.57D-06 R= 8.25D-01
 TightC=F SS=  1.41D+00  RLast= 6.24D-02 DXNew= 2.1488D+00 1.8730D-01
 Trust test= 8.25D-01 RLast= 6.24D-02 DXMaxT set to 1.28D+00
 ITU=  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1
 ITU=  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00187   0.00382   0.00488   0.00723   0.00957
     Eigenvalues ---    0.01244   0.01391   0.01652   0.01980   0.02412
     Eigenvalues ---    0.02485   0.02505   0.02542   0.02554   0.02586
     Eigenvalues ---    0.02603   0.02636   0.02669   0.02681   0.02695
     Eigenvalues ---    0.02698   0.02703   0.02712   0.02719   0.02739
     Eigenvalues ---    0.02754   0.02764   0.02777   0.02794   0.02796
     Eigenvalues ---    0.02802   0.02809   0.02812   0.02813   0.02827
     Eigenvalues ---    0.02834   0.02848   0.02858   0.02867   0.02875
     Eigenvalues ---    0.02878   0.02879   0.02888   0.02899   0.02901
     Eigenvalues ---    0.02902   0.02906   0.02910   0.02916   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02937   0.02945   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02953   0.02956   0.02960
     Eigenvalues ---    0.02963   0.02965   0.02971   0.02972   0.02976
     Eigenvalues ---    0.02989   0.02992   0.02994   0.02999   0.03005
     Eigenvalues ---    0.03019   0.03026   0.03036   0.03047   0.03055
     Eigenvalues ---    0.03059   0.03064   0.03074   0.03091   0.03094
     Eigenvalues ---    0.03099   0.03111   0.03121   0.03130   0.03141
     Eigenvalues ---    0.03160   0.03175   0.03176   0.03183   0.03200
     Eigenvalues ---    0.03225   0.03241   0.03250   0.03276   0.03319
     Eigenvalues ---    0.03457   0.03530   0.03805   0.05118   0.05197
     Eigenvalues ---    0.05577   0.05743   0.05775   0.05915   0.05938
     Eigenvalues ---    0.06146   0.06195   0.07022   0.08376   0.11315
     Eigenvalues ---    0.11919   0.12036   0.13556   0.14071   0.14171
     Eigenvalues ---    0.15169   0.15890   0.15934   0.15982   0.15988
     Eigenvalues ---    0.15993   0.15994   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16005
     Eigenvalues ---    0.16005   0.16007   0.16010   0.16020   0.16037
     Eigenvalues ---    0.16048   0.16089   0.16136   0.16368   0.18328
     Eigenvalues ---    0.19704   0.21013   0.21351   0.21996   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22133   0.22345
     Eigenvalues ---    0.22454   0.22493   0.22557   0.22588   0.22600
     Eigenvalues ---    0.22614   0.22640   0.22673   0.22763   0.23058
     Eigenvalues ---    0.23322   0.23470   0.23523   0.23768   0.24118
     Eigenvalues ---    0.24385   0.24441   0.24484   0.24498   0.24525
     Eigenvalues ---    0.24541   0.24581   0.24741   0.24788   0.24898
     Eigenvalues ---    0.24915   0.24968   0.24977   0.24978   0.24986
     Eigenvalues ---    0.24989   0.24990   0.24998   0.25035   0.25167
     Eigenvalues ---    0.25210   0.25896   0.26327   0.26582   0.27184
     Eigenvalues ---    0.27466   0.28093   0.28743   0.28842   0.29065
     Eigenvalues ---    0.29327   0.29341   0.29636   0.29882   0.30224
     Eigenvalues ---    0.30492   0.30655   0.30722   0.30849   0.30950
     Eigenvalues ---    0.31131   0.31182   0.31270   0.31413   0.31523
     Eigenvalues ---    0.31595   0.31743   0.32136   0.32233   0.32574
     Eigenvalues ---    0.33143   0.33398   0.33521   0.33964   0.34045
     Eigenvalues ---    0.34217   0.34496   0.34669   0.34937   0.35152
     Eigenvalues ---    0.35190   0.35431   0.35539   0.35768   0.36391
     Eigenvalues ---    0.36583   0.36781   0.37185   0.37309   0.39039
     Eigenvalues ---    0.39760   0.41408   0.41569   0.42067   0.42701
     Eigenvalues ---    0.42755   0.43441   0.43703   0.45277   0.45848
     Eigenvalues ---    0.47079   0.47098   0.47135   0.47220   0.47667
     Eigenvalues ---    0.47829   0.49617   0.50088   0.50137   0.50470
     Eigenvalues ---    0.50599   0.51122   0.51680   0.52047   0.52077
     Eigenvalues ---    0.52263   0.52627   0.53006   0.53134   0.53281
     Eigenvalues ---    0.53514   0.53808   0.54301   0.54348   0.55025
     Eigenvalues ---    0.55305   0.55607   0.55649   0.55719   0.56047
     Eigenvalues ---    0.56183   0.56252   0.56463   0.56622   0.56746
     Eigenvalues ---    0.56929   0.57183   0.57435   0.57913   0.58232
     Eigenvalues ---    0.58286   0.58304   0.58353   0.58517   0.58648
     Eigenvalues ---    0.58911   0.58993   0.59423   0.59714   0.59808
     Eigenvalues ---    0.60082   0.60571   0.60880   0.61476   0.62021
     Eigenvalues ---    0.63256   0.63499   0.64326   0.65116   0.65870
     Eigenvalues ---    0.66401   0.66759   0.67806   0.68867   0.72068
     Eigenvalues ---    0.73103   0.74585   0.78748   0.80342   0.80875
     Eigenvalues ---    0.85479   1.01134   5.13026
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    34   33   32   31   30   29   28   27   26   25
 RFO step:  Lambda=-3.45558705D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.40594   -0.36345   -2.00000    1.13773    1.10770
                  RFO-DIIS coefs:   -1.96579    0.79769   -0.11982    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.02636771 RMS(Int)=  0.00078604
 Iteration  2 RMS(Cart)=  0.00123648 RMS(Int)=  0.00000691
 Iteration  3 RMS(Cart)=  0.00000179 RMS(Int)=  0.00000684
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000684
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63945  -0.00001   0.00016  -0.00008   0.00009   2.63954
    R2        2.65435   0.00003   0.00008   0.00000   0.00009   2.65444
    R3        2.67538  -0.00005  -0.00031   0.00010  -0.00021   2.67517
    R4        2.64603   0.00001  -0.00021   0.00015  -0.00006   2.64596
    R5        2.04671  -0.00003  -0.00008  -0.00000  -0.00009   2.04662
    R6        2.66492  -0.00002  -0.00003  -0.00001  -0.00005   2.66487
    R7        2.78807  -0.00016   0.00004  -0.00012  -0.00007   2.78799
    R8        2.64819   0.00003  -0.00001   0.00003   0.00002   2.64821
    R9        2.77998  -0.00002  -0.00052   0.00030  -0.00022   2.77976
   R10        2.62075   0.00001   0.00002  -0.00000   0.00002   2.62077
   R11        2.04803   0.00001   0.00009  -0.00006   0.00003   2.04805
   R12        2.04891  -0.00002  -0.00004  -0.00002  -0.00006   2.04885
   R13        2.67787   0.00002  -0.00012   0.00003  -0.00008   2.67779
   R14        2.64535   0.00001  -0.00017   0.00013  -0.00004   2.64531
   R15        2.83216  -0.00024   0.00155  -0.00068   0.00089   2.83305
   R16        2.64733   0.00007  -0.00027   0.00015  -0.00012   2.64721
   R17        2.83911  -0.00009   0.00042  -0.00020   0.00023   2.83934
   R18        2.68727  -0.00006   0.00133  -0.00038   0.00094   2.68821
   R19        2.43498   0.00005  -0.00019   0.00016  -0.00003   2.43494
   R20        2.63764  -0.00004   0.00002  -0.00002   0.00000   2.63765
   R21        2.04591   0.00001   0.00001  -0.00002  -0.00001   2.04590
   R22        2.64449   0.00008  -0.00009   0.00011   0.00002   2.64451
   R23        2.67456  -0.00001   0.00004   0.00006   0.00009   2.67465
   R24        2.62325  -0.00004   0.00025  -0.00017   0.00008   2.62332
   R25        2.04862  -0.00002  -0.00005   0.00001  -0.00004   2.04858
   R26        2.04125  -0.00001  -0.00004   0.00006   0.00001   2.04126
   R27        2.69719   0.00009  -0.00001   0.00015   0.00015   2.69734
   R28        3.33621   0.00011  -0.00065   0.00024  -0.00041   3.33581
   R29        2.67261  -0.00002   0.00016  -0.00012   0.00004   2.67265
   R30        2.65368  -0.00000  -0.00008  -0.00002  -0.00009   2.65359
   R31        2.61319   0.00002  -0.00038   0.00036  -0.00002   2.61316
   R32        2.65309  -0.00010  -0.00004  -0.00011  -0.00015   2.65294
   R33        2.62495   0.00007   0.00013   0.00003   0.00017   2.62512
   R34        2.03765  -0.00014  -0.00044   0.00017  -0.00027   2.03738
   R35        2.65153  -0.00008  -0.00015  -0.00005  -0.00020   2.65133
   R36        2.04946   0.00001  -0.00003   0.00003   0.00000   2.04946
   R37        2.62458  -0.00002  -0.00004   0.00007   0.00002   2.62461
   R38        2.67949   0.00005   0.00009   0.00006   0.00014   2.67964
   R39        2.04785   0.00002   0.00004  -0.00001   0.00003   2.04788
   R40        2.65142   0.00003   0.00015   0.00002   0.00017   2.65159
   R41        2.65160   0.00001   0.00019  -0.00001   0.00019   2.65179
   R42        2.65055  -0.00004  -0.00003  -0.00002  -0.00006   2.65049
   R43        2.64957   0.00004  -0.00017   0.00015  -0.00002   2.64955
   R44        2.64738  -0.00003  -0.00007  -0.00000  -0.00007   2.64731
   R45        2.64598   0.00001  -0.00010   0.00008  -0.00002   2.64596
   R46        2.67821   0.00002   0.00000   0.00002   0.00002   2.67823
   R47        2.64058  -0.00001  -0.00001  -0.00001  -0.00002   2.64057
   R48        2.73705   0.00005  -0.00005   0.00008   0.00003   2.73708
   R49        2.64479   0.00000  -0.00005   0.00005  -0.00001   2.64478
   R50        2.67933  -0.00000  -0.00005   0.00004  -0.00000   2.67933
   R51        2.64452   0.00002   0.00001   0.00002   0.00003   2.64455
   R52        2.64147  -0.00000   0.00004   0.00001   0.00004   2.64151
   R53        2.67849  -0.00000  -0.00008   0.00004  -0.00004   2.67846
   R54        2.64099  -0.00000   0.00003  -0.00001   0.00003   2.64101
   R55        2.73652   0.00006   0.00003   0.00003   0.00007   2.73659
   R56        2.64455  -0.00000  -0.00006   0.00004  -0.00003   2.64452
   R57        2.67871   0.00000  -0.00009   0.00005  -0.00004   2.67867
   R58        2.64461  -0.00001  -0.00009   0.00005  -0.00004   2.64458
   R59        2.64121  -0.00000   0.00002  -0.00001   0.00001   2.64122
   R60        2.67952   0.00003  -0.00003   0.00008   0.00005   2.67957
   R61        2.64060  -0.00000   0.00001   0.00001   0.00002   2.64062
   R62        2.73661   0.00002  -0.00010   0.00009  -0.00001   2.73659
   R63        2.64508   0.00000   0.00000  -0.00001  -0.00001   2.64507
   R64        2.67991   0.00002   0.00007  -0.00003   0.00004   2.67995
   R65        2.64483   0.00000  -0.00005   0.00004  -0.00000   2.64483
   R66        2.64100  -0.00002   0.00003  -0.00004  -0.00000   2.64099
   R67        2.62986   0.00003  -0.00009   0.00009  -0.00001   2.62986
   R68        2.05260  -0.00000   0.00000  -0.00000  -0.00000   2.05260
   R69        2.65480   0.00002   0.00005  -0.00001   0.00004   2.65484
   R70        2.05140  -0.00001   0.00001  -0.00003  -0.00001   2.05139
   R71        2.63351   0.00001  -0.00004   0.00004  -0.00000   2.63351
   R72        2.05257  -0.00006  -0.00009   0.00002  -0.00007   2.05250
   R73        2.04887   0.00002   0.00000  -0.00000   0.00000   2.04887
   R74        2.63282   0.00001   0.00000   0.00001   0.00001   2.63283
   R75        2.04914  -0.00004   0.00007  -0.00017  -0.00011   2.04903
   R76        2.65521   0.00002  -0.00002   0.00003   0.00001   2.65522
   R77        2.05216  -0.00001  -0.00000  -0.00001  -0.00001   2.05215
   R78        2.62957   0.00003  -0.00003   0.00005   0.00002   2.62960
   R79        2.05145  -0.00000  -0.00000  -0.00000  -0.00000   2.05145
   R80        2.05263  -0.00000   0.00000  -0.00000  -0.00000   2.05263
   R81        2.62972   0.00003   0.00005  -0.00001   0.00003   2.62975
   R82        2.05280  -0.00005  -0.00006  -0.00003  -0.00008   2.05272
   R83        2.65444   0.00001  -0.00006   0.00003  -0.00003   2.65442
   R84        2.05143  -0.00002  -0.00002  -0.00000  -0.00002   2.05141
   R85        2.63269   0.00002  -0.00000   0.00005   0.00005   2.63274
   R86        2.05214  -0.00002  -0.00001  -0.00001  -0.00002   2.05211
   R87        2.04837  -0.00001  -0.00003  -0.00002  -0.00005   2.04832
   R88        2.63287  -0.00000  -0.00003   0.00003  -0.00000   2.63287
   R89        2.04854  -0.00001  -0.00001  -0.00002  -0.00003   2.04851
   R90        2.65469   0.00003   0.00000   0.00001   0.00001   2.65471
   R91        2.05213  -0.00000   0.00000  -0.00000   0.00000   2.05213
   R92        2.62951   0.00002  -0.00006   0.00006   0.00000   2.62951
   R93        2.05144   0.00000  -0.00001   0.00000  -0.00000   2.05144
   R94        2.05265  -0.00000  -0.00000   0.00000  -0.00000   2.05265
   R95        2.62989   0.00001  -0.00007   0.00006  -0.00001   2.62988
   R96        2.05276  -0.00001   0.00001  -0.00002  -0.00002   2.05274
   R97        2.65524   0.00003   0.00004   0.00001   0.00004   2.65528
   R98        2.05150  -0.00001  -0.00001  -0.00000  -0.00002   2.05148
   R99        2.63280  -0.00001  -0.00005   0.00003  -0.00002   2.63278
   R100       2.05237  -0.00002  -0.00002  -0.00001  -0.00002   2.05235
   R101       2.04925   0.00000  -0.00004   0.00005   0.00001   2.04926
   R102       2.63258   0.00001  -0.00001   0.00001  -0.00001   2.63258
   R103       2.04899   0.00002  -0.00000   0.00002   0.00002   2.04901
   R104       2.65547   0.00002  -0.00002   0.00004   0.00002   2.65548
   R105       2.05223  -0.00000   0.00001  -0.00000   0.00000   2.05224
   R106       2.62957   0.00002  -0.00001   0.00002   0.00001   2.62958
   R107       2.05144   0.00001   0.00000   0.00000   0.00001   2.05144
   R108       2.05278  -0.00002  -0.00000  -0.00002  -0.00002   2.05277
   R109       2.78583   0.00013   0.00053   0.00002   0.00055   2.78638
   R110       3.02615  -0.00016   0.00079  -0.00063   0.00016   3.02631
   R111       3.04104  -0.00005   0.00107  -0.00105   0.00002   3.04106
   R112       2.77490  -0.00028   0.00139  -0.00108   0.00030   2.77520
   R113       2.76085  -0.00012   0.00082  -0.00091  -0.00010   2.76075
   R114       2.86209   0.00004  -0.00013   0.00017   0.00005   2.86213
   R115       2.06102  -0.00003   0.00016   0.00006   0.00022   2.06124
   R116       2.06674  -0.00002  -0.00003  -0.00003  -0.00006   2.06669
   R117       2.06905   0.00003   0.00011  -0.00000   0.00011   2.06915
   R118       2.06682  -0.00006  -0.00020   0.00010  -0.00011   2.06671
   R119       2.06484  -0.00002  -0.00011   0.00001  -0.00010   2.06474
   R120       2.86869  -0.00008   0.00057   0.00016   0.00074   2.86943
   R121       2.06488  -0.00004  -0.00058   0.00012  -0.00046   2.06442
   R122       2.06853  -0.00009   0.00001   0.00028   0.00028   2.06881
   R123       2.06948  -0.00002   0.00019  -0.00010   0.00009   2.06957
   R124       2.06395   0.00008  -0.00027  -0.00001  -0.00028   2.06367
   R125       2.06707  -0.00004   0.00015  -0.00011   0.00005   2.06711
   R126       5.36126   0.00005   0.02993   0.00715   0.03708   5.39835
    A1        2.08890   0.00004  -0.00023   0.00018  -0.00004   2.08885
    A2        2.09449  -0.00002   0.00010  -0.00012  -0.00001   2.09447
    A3        2.09978  -0.00001   0.00012  -0.00006   0.00006   2.09984
    A4        2.11053  -0.00003   0.00021  -0.00022  -0.00000   2.11052
    A5        2.06931   0.00005   0.00006   0.00018   0.00025   2.06956
    A6        2.10309  -0.00002  -0.00030   0.00005  -0.00025   2.10284
    A7        2.07586   0.00000   0.00007   0.00002   0.00009   2.07595
    A8        2.14161   0.00001  -0.00011   0.00019   0.00007   2.14169
    A9        2.06200  -0.00001  -0.00005  -0.00018  -0.00022   2.06178
   A10        2.09047   0.00004  -0.00019   0.00016  -0.00003   2.09045
   A11        2.09576  -0.00005   0.00002  -0.00013  -0.00010   2.09566
   A12        2.09655   0.00002   0.00016  -0.00004   0.00013   2.09667
   A13        2.10812  -0.00003   0.00024  -0.00021   0.00003   2.10814
   A14        2.06703   0.00003   0.00004   0.00006   0.00009   2.06712
   A15        2.10804   0.00000  -0.00027   0.00015  -0.00012   2.10792
   A16        2.09015  -0.00001  -0.00005   0.00005  -0.00000   2.09014
   A17        2.08868  -0.00000   0.00034  -0.00023   0.00010   2.08879
   A18        2.10435   0.00001  -0.00028   0.00018  -0.00010   2.10425
   A19        2.09601   0.00001  -0.00012   0.00006  -0.00005   2.09597
   A20        2.10188  -0.00003  -0.00009   0.00009  -0.00001   2.10187
   A21        2.07926   0.00001   0.00011  -0.00011   0.00001   2.07927
   A22        2.07034   0.00003  -0.00041   0.00015  -0.00023   2.07011
   A23        2.06965  -0.00001   0.00007   0.00004   0.00010   2.06975
   A24        2.13857  -0.00002   0.00042  -0.00022   0.00017   2.13874
   A25        1.94590  -0.00001  -0.00149   0.00010  -0.00137   1.94453
   A26        2.05711   0.00001  -0.00089   0.00015  -0.00076   2.05635
   A27        2.01917   0.00003  -0.00008   0.00003  -0.00006   2.01911
   A28        2.02804   0.00005  -0.00019   0.00004  -0.00014   2.02790
   A29        2.08382  -0.00014   0.00015  -0.00006   0.00007   2.08389
   A30        2.16873   0.00009   0.00014   0.00004   0.00018   2.16891
   A31        2.11877  -0.00001  -0.00015   0.00004  -0.00010   2.11867
   A32        2.09618  -0.00001   0.00020  -0.00020   0.00000   2.09618
   A33        2.06767   0.00002  -0.00006   0.00016   0.00009   2.06777
   A34        2.08031   0.00002  -0.00001   0.00005   0.00004   2.08035
   A35        2.09936  -0.00003  -0.00023   0.00007  -0.00016   2.09920
   A36        2.10274   0.00002   0.00023  -0.00012   0.00011   2.10285
   A37        2.09162  -0.00000   0.00005  -0.00006  -0.00000   2.09162
   A38        2.09162  -0.00002   0.00010  -0.00012  -0.00002   2.09160
   A39        2.09953   0.00002  -0.00013   0.00017   0.00004   2.09957
   A40        2.12169  -0.00001  -0.00019   0.00006  -0.00013   2.12156
   A41        2.10019  -0.00002   0.00013  -0.00027  -0.00015   2.10004
   A42        2.05982   0.00003   0.00007   0.00022   0.00029   2.06011
   A43        2.08115  -0.00008  -0.00067   0.00015  -0.00050   2.08065
   A44        2.05569   0.00002  -0.00194   0.00095  -0.00098   2.05471
   A45        2.08223   0.00005   0.00154  -0.00067   0.00086   2.08309
   A46        2.07584   0.00007   0.00015   0.00003   0.00019   2.07603
   A47        2.15004  -0.00002   0.00006  -0.00020  -0.00016   2.14988
   A48        2.05654  -0.00005  -0.00026   0.00018  -0.00007   2.05647
   A49        2.14150  -0.00002   0.00028  -0.00018   0.00011   2.14161
   A50        2.10393   0.00006  -0.00010   0.00009   0.00000   2.10393
   A51        2.03754  -0.00004  -0.00017   0.00010  -0.00008   2.03747
   A52        2.07825  -0.00008  -0.00007  -0.00002  -0.00007   2.07818
   A53        2.11179   0.00002   0.00032  -0.00018   0.00015   2.11194
   A54        2.10544   0.00006  -0.00005   0.00032   0.00027   2.10571
   A55        2.06594  -0.00009  -0.00028  -0.00014  -0.00042   2.06552
   A56        2.11450  -0.00006  -0.00020  -0.00003  -0.00022   2.11428
   A57        2.08318   0.00006   0.00009   0.00014   0.00023   2.08341
   A58        2.08550  -0.00000   0.00010  -0.00011  -0.00000   2.08550
   A59        2.06740   0.00006  -0.00005   0.00021   0.00016   2.06756
   A60        2.10472   0.00001   0.00005  -0.00007  -0.00003   2.10470
   A61        2.11106  -0.00006   0.00001  -0.00014  -0.00013   2.11093
   A62        2.11182  -0.00003   0.00022  -0.00024  -0.00002   2.11180
   A63        2.05103   0.00009   0.00003   0.00029   0.00032   2.05136
   A64        2.12030  -0.00006  -0.00024  -0.00006  -0.00030   2.12000
   A65        2.19594   0.00000   0.00000   0.00004   0.00005   2.19598
   A66        2.19712  -0.00004   0.00004  -0.00008  -0.00004   2.19708
   A67        1.89012   0.00004  -0.00005   0.00004  -0.00001   1.89011
   A68        2.19081   0.00001   0.00003  -0.00000   0.00004   2.19085
   A69        2.20089  -0.00004  -0.00006  -0.00002  -0.00007   2.20082
   A70        1.89138   0.00002  -0.00001   0.00002   0.00002   1.89140
   A71        2.19630  -0.00002   0.00005  -0.00001   0.00004   2.19634
   A72        2.19507  -0.00000  -0.00001  -0.00007  -0.00007   2.19500
   A73        1.89180   0.00002  -0.00004   0.00007   0.00004   1.89184
   A74        1.90046  -0.00001  -0.00001   0.00001  -0.00000   1.90045
   A75        2.25873  -0.00002   0.00012  -0.00015  -0.00002   2.25871
   A76        2.12339   0.00003  -0.00012   0.00014   0.00002   2.12341
   A77        1.86632   0.00001  -0.00001   0.00001   0.00000   1.86632
   A78        2.08609  -0.00002   0.00009  -0.00011  -0.00002   2.08607
   A79        2.33071   0.00001  -0.00009   0.00010   0.00001   2.33072
   A80        1.86651  -0.00001  -0.00004   0.00001  -0.00003   1.86648
   A81        2.33003   0.00002   0.00000   0.00002   0.00002   2.33006
   A82        2.08655  -0.00001   0.00004  -0.00003   0.00001   2.08655
   A83        1.90011  -0.00001   0.00007  -0.00005   0.00002   1.90012
   A84        2.26159  -0.00001  -0.00002   0.00002  -0.00000   2.26159
   A85        2.12067   0.00002  -0.00004   0.00003  -0.00002   2.12065
   A86        1.90074  -0.00003  -0.00001  -0.00004  -0.00004   1.90070
   A87        2.26092  -0.00000   0.00024  -0.00013   0.00011   2.26103
   A88        2.12084   0.00003  -0.00027   0.00017  -0.00010   2.12073
   A89        1.86668   0.00001   0.00003   0.00002   0.00005   1.86674
   A90        2.08728  -0.00001   0.00025  -0.00014   0.00010   2.08738
   A91        2.32912   0.00000  -0.00029   0.00012  -0.00016   2.32896
   A92        1.86654   0.00000   0.00005  -0.00001   0.00004   1.86658
   A93        2.32917   0.00001  -0.00013   0.00003  -0.00010   2.32907
   A94        2.08743  -0.00001   0.00007  -0.00001   0.00006   2.08749
   A95        1.90068  -0.00002  -0.00003  -0.00001  -0.00004   1.90065
   A96        2.26287  -0.00000   0.00011  -0.00002   0.00010   2.26297
   A97        2.11909   0.00002  -0.00011   0.00003  -0.00007   2.11902
   A98        1.90081   0.00000   0.00006  -0.00006  -0.00000   1.90081
   A99        2.25937  -0.00001   0.00008  -0.00006   0.00003   2.25940
   A100       2.12265   0.00001  -0.00015   0.00011  -0.00004   2.12261
   A101       1.86564  -0.00001  -0.00002   0.00000  -0.00002   1.86562
   A102       2.08571  -0.00000   0.00009  -0.00007   0.00002   2.08573
   A103       2.33180   0.00001  -0.00007   0.00007  -0.00001   2.33180
   A104       1.86527   0.00000  -0.00002   0.00003   0.00001   1.86528
   A105       2.33228  -0.00000  -0.00011   0.00004  -0.00006   2.33221
   A106       2.08558   0.00000   0.00013  -0.00007   0.00005   2.08564
   A107       1.90125  -0.00001   0.00002  -0.00005  -0.00003   1.90123
   A108       2.25935  -0.00000   0.00017  -0.00010   0.00007   2.25943
   A109       2.12220   0.00001  -0.00020   0.00014  -0.00005   2.12214
   A110       2.08029  -0.00001   0.00000   0.00000   0.00001   2.08030
   A111       2.09986   0.00000  -0.00002   0.00000  -0.00002   2.09983
   A112       2.10302   0.00000   0.00002  -0.00000   0.00002   2.10303
   A113       2.10387   0.00000  -0.00002   0.00001  -0.00001   2.10387
   A114       2.09183   0.00000   0.00004  -0.00000   0.00003   2.09187
   A115       2.08744  -0.00000  -0.00002  -0.00001  -0.00002   2.08742
   A116       2.11929  -0.00000   0.00002  -0.00002  -0.00000   2.11929
   A117       2.08578   0.00000  -0.00002   0.00003   0.00001   2.08579
   A118       2.07808  -0.00000  -0.00000  -0.00001  -0.00001   2.07807
   A119       2.05539  -0.00001  -0.00000   0.00001   0.00001   2.05540
   A120       2.11879   0.00000   0.00006  -0.00005   0.00001   2.11881
   A121       2.10890   0.00001  -0.00006   0.00004  -0.00002   2.10889
   A122       2.05287  -0.00001   0.00005  -0.00005  -0.00001   2.05286
   A123       2.11920  -0.00000   0.00000  -0.00004  -0.00004   2.11916
   A124       2.11107   0.00001  -0.00005   0.00009   0.00005   2.11112
   A125       2.12030  -0.00001   0.00001  -0.00002  -0.00001   2.12029
   A126       2.07762  -0.00000  -0.00010   0.00008  -0.00001   2.07760
   A127       2.08525   0.00001   0.00009  -0.00006   0.00002   2.08528
   A128       2.10450   0.00001  -0.00003   0.00003   0.00001   2.10451
   A129       2.08710  -0.00000  -0.00002   0.00002  -0.00001   2.08710
   A130       2.09156  -0.00000   0.00005  -0.00005  -0.00000   2.09156
   A131       2.07902  -0.00000  -0.00001   0.00001  -0.00000   2.07901
   A132       2.10056   0.00000   0.00002  -0.00001   0.00001   2.10056
   A133       2.10360  -0.00000  -0.00000   0.00000  -0.00000   2.10359
   A134       2.08024   0.00000   0.00002  -0.00001   0.00001   2.08025
   A135       2.09965  -0.00000   0.00002  -0.00002  -0.00001   2.09964
   A136       2.10329   0.00000  -0.00004   0.00004   0.00000   2.10330
   A137       2.10351   0.00000  -0.00004   0.00001  -0.00003   2.10349
   A138       2.09214  -0.00000  -0.00006   0.00004  -0.00002   2.09213
   A139       2.08752   0.00000   0.00010  -0.00006   0.00004   2.08756
   A140       2.11901  -0.00001  -0.00003   0.00002  -0.00002   2.11899
   A141       2.08793   0.00001   0.00015  -0.00002   0.00013   2.08806
   A142       2.07624  -0.00000  -0.00012   0.00000  -0.00012   2.07612
   A143       2.05684  -0.00001   0.00009  -0.00004   0.00005   2.05689
   A144       2.12013   0.00001   0.00015  -0.00001   0.00014   2.12027
   A145       2.10620  -0.00000  -0.00025   0.00005  -0.00019   2.10600
   A146       2.05465  -0.00001   0.00008  -0.00005   0.00003   2.05467
   A147       2.11946   0.00001   0.00023  -0.00012   0.00011   2.11956
   A148       2.10903   0.00001  -0.00031   0.00017  -0.00013   2.10889
   A149       2.12012  -0.00000   0.00009  -0.00006   0.00003   2.12015
   A150       2.07747  -0.00000  -0.00000  -0.00004  -0.00004   2.07743
   A151       2.08558   0.00000  -0.00009   0.00010   0.00001   2.08559
   A152       2.10375   0.00001  -0.00013   0.00008  -0.00005   2.10370
   A153       2.08744  -0.00000   0.00002  -0.00003  -0.00001   2.08743
   A154       2.09197  -0.00000   0.00011  -0.00005   0.00006   2.09203
   A155       2.07948  -0.00001  -0.00003   0.00001  -0.00002   2.07946
   A156       2.10018  -0.00000  -0.00011   0.00004  -0.00007   2.10011
   A157       2.10351   0.00001   0.00014  -0.00005   0.00009   2.10359
   A158       2.08003  -0.00001   0.00002  -0.00003  -0.00001   2.08002
   A159       2.10023   0.00000   0.00003  -0.00006  -0.00003   2.10020
   A160       2.10291   0.00001  -0.00005   0.00009   0.00004   2.10295
   A161       2.10438  -0.00000  -0.00007   0.00004  -0.00003   2.10435
   A162       2.09166   0.00001   0.00011  -0.00006   0.00005   2.09172
   A163       2.08713  -0.00000  -0.00004   0.00002  -0.00002   2.08711
   A164       2.11947   0.00001   0.00004  -0.00000   0.00004   2.11950
   A165       2.08509   0.00001   0.00001   0.00000   0.00001   2.08510
   A166       2.07862  -0.00001  -0.00005  -0.00000  -0.00005   2.07858
   A167       2.05456  -0.00001   0.00009  -0.00008   0.00001   2.05457
   A168       2.11743   0.00001   0.00004  -0.00001   0.00004   2.11746
   A169       2.11117   0.00000  -0.00013   0.00009  -0.00004   2.11112
   A170       2.05404  -0.00001   0.00010  -0.00009   0.00000   2.05404
   A171       2.11779   0.00001   0.00001   0.00002   0.00003   2.11782
   A172       2.11135   0.00000  -0.00011   0.00007  -0.00004   2.11131
   A173       2.11981   0.00001   0.00001   0.00002   0.00003   2.11984
   A174       2.07817  -0.00001  -0.00001  -0.00003  -0.00004   2.07814
   A175       2.08520  -0.00000  -0.00000   0.00001   0.00001   2.08521
   A176       2.10442   0.00000  -0.00005   0.00003  -0.00002   2.10439
   A177       2.08702   0.00000   0.00004  -0.00002   0.00002   2.08704
   A178       2.09175  -0.00000   0.00001  -0.00001  -0.00000   2.09175
   A179       2.07964  -0.00000   0.00001  -0.00000   0.00000   2.07965
   A180       2.10034   0.00000   0.00003  -0.00004  -0.00001   2.10033
   A181       2.10320   0.00000  -0.00004   0.00004   0.00000   2.10320
   A182       2.01365   0.00008   0.00030   0.00046   0.00075   2.01440
   A183       1.84068  -0.00022   0.00201  -0.00089   0.00111   1.84179
   A184       1.71695   0.00022  -0.00003  -0.00076  -0.00078   1.71617
   A185       2.02658  -0.00001  -0.00106  -0.00013  -0.00120   2.02539
   A186       2.04027  -0.00013  -0.00027   0.00102   0.00076   2.04103
   A187       1.78510   0.00007  -0.00070   0.00006  -0.00065   1.78445
   A188       2.11910  -0.00045   0.00137  -0.00060   0.00077   2.11987
   A189       2.07740   0.00021   0.00126   0.00013   0.00140   2.07880
   A190       1.89772   0.00005   0.00107   0.00006   0.00111   1.89883
   A191       1.90171  -0.00023   0.00221  -0.00044   0.00177   1.90348
   A192       1.84805   0.00009  -0.00271   0.00092  -0.00179   1.84626
   A193       1.95339   0.00009  -0.00058   0.00014  -0.00043   1.95296
   A194       1.95413  -0.00004   0.00004  -0.00041  -0.00036   1.95378
   A195       1.90524   0.00003  -0.00009  -0.00024  -0.00030   1.90494
   A196       1.90806  -0.00002  -0.00002  -0.00031  -0.00032   1.90774
   A197       1.94047   0.00001  -0.00006   0.00005  -0.00002   1.94045
   A198       1.93047   0.00002   0.00021  -0.00004   0.00017   1.93064
   A199       1.89172   0.00000  -0.00007   0.00004  -0.00003   1.89169
   A200       1.88984  -0.00000  -0.00024  -0.00001  -0.00025   1.88959
   A201       1.90219  -0.00001   0.00016   0.00027   0.00044   1.90263
   A202       1.94312  -0.00035   0.00634  -0.00065   0.00566   1.94878
   A203       1.82436   0.00008  -0.00540   0.00048  -0.00492   1.81944
   A204       1.90504   0.00022  -0.00193  -0.00109  -0.00310   1.90193
   A205       1.94837   0.00015  -0.00103   0.00120   0.00020   1.94856
   A206       1.95230  -0.00008   0.00158   0.00024   0.00181   1.95410
   A207       1.88539  -0.00000  -0.00008  -0.00019  -0.00031   1.88508
   A208       1.91152   0.00010  -0.00050  -0.00004  -0.00054   1.91098
   A209       1.93365  -0.00021   0.00012  -0.00076  -0.00064   1.93301
   A210       1.93042   0.00001  -0.00015  -0.00002  -0.00017   1.93025
   A211       1.89940  -0.00001   0.00068   0.00025   0.00093   1.90033
   A212       1.88805  -0.00002  -0.00045  -0.00022  -0.00068   1.88738
   A213       1.89994   0.00013   0.00032   0.00081   0.00113   1.90107
   A214       2.22374  -0.00110  -0.02519  -0.00107  -0.02625   2.19749
    D1       -0.00101  -0.00001  -0.00027  -0.00010  -0.00037  -0.00138
    D2        3.11670  -0.00001  -0.00126   0.00050  -0.00076   3.11594
    D3        3.13359  -0.00002  -0.00074  -0.00001  -0.00075   3.13284
    D4       -0.03189  -0.00002  -0.00172   0.00059  -0.00114  -0.03302
    D5       -0.03820   0.00001   0.00059  -0.00017   0.00042  -0.03778
    D6        3.10792   0.00000  -0.00061   0.00038  -0.00023   3.10769
    D7        3.11040   0.00002   0.00105  -0.00025   0.00080   3.11120
    D8       -0.02666   0.00001  -0.00014   0.00030   0.00015  -0.02651
    D9        2.25742   0.00005   0.00302   0.00007   0.00309   2.26051
   D10       -0.87995   0.00004   0.00359  -0.00006   0.00353  -0.87642
   D11       -0.89121   0.00004   0.00255   0.00016   0.00271  -0.88850
   D12        2.25461   0.00003   0.00312   0.00003   0.00315   2.25775
   D13        0.05575  -0.00000  -0.00042   0.00026  -0.00016   0.05558
   D14       -2.99161  -0.00000   0.00071  -0.00005   0.00066  -2.99095
   D15       -3.06150  -0.00001   0.00058  -0.00035   0.00023  -3.06127
   D16        0.17433  -0.00001   0.00171  -0.00066   0.00105   0.17538
   D17       -0.07168   0.00002   0.00082  -0.00017   0.00064  -0.07104
   D18        3.03950   0.00000   0.00103  -0.00060   0.00044   3.03994
   D19        2.97999   0.00002  -0.00027   0.00014  -0.00012   2.97987
   D20       -0.19201   0.00000  -0.00005  -0.00028  -0.00033  -0.19234
   D21       -2.91872  -0.00000  -0.00178   0.00123  -0.00055  -2.91927
   D22        0.34168  -0.00001  -0.00090   0.00079  -0.00010   0.34158
   D23        0.31640  -0.00000  -0.00067   0.00091   0.00025   0.31665
   D24       -2.70639  -0.00001   0.00022   0.00048   0.00070  -2.70569
   D25        0.03356  -0.00002  -0.00051  -0.00009  -0.00060   0.03296
   D26       -3.11171  -0.00001  -0.00006  -0.00028  -0.00035  -3.11205
   D27       -3.07761  -0.00000  -0.00072   0.00034  -0.00039  -3.07800
   D28        0.06031   0.00000  -0.00028   0.00015  -0.00013   0.06018
   D29       -0.35222   0.00002  -0.00144  -0.00004  -0.00149  -0.35370
   D30        2.86348  -0.00002  -0.00279  -0.00039  -0.00318   2.86030
   D31        2.75886   0.00000  -0.00122  -0.00047  -0.00170   2.75716
   D32       -0.30863  -0.00004  -0.00257  -0.00082  -0.00339  -0.31202
   D33        0.02184   0.00000  -0.00020   0.00026   0.00006   0.02190
   D34       -3.12433   0.00001   0.00101  -0.00029   0.00072  -3.12361
   D35       -3.11599  -0.00000  -0.00065   0.00045  -0.00020  -3.11619
   D36        0.02103   0.00001   0.00056  -0.00010   0.00046   0.02148
   D37        0.12146  -0.00000   0.00264  -0.00109   0.00156   0.12303
   D38       -2.91962   0.00001   0.00179  -0.00061   0.00118  -2.91844
   D39       -3.13740  -0.00000   0.00176  -0.00065   0.00112  -3.13628
   D40        0.10470   0.00001   0.00091  -0.00017   0.00074   0.10543
   D41        2.97550   0.00000  -0.00131   0.00057  -0.00074   2.97476
   D42       -0.12953   0.00001  -0.00125   0.00072  -0.00052  -0.13006
   D43       -0.04842   0.00000  -0.00041   0.00013  -0.00029  -0.04870
   D44        3.12974   0.00001  -0.00036   0.00029  -0.00008   3.12966
   D45       -0.63660   0.00003  -0.00347   0.00064  -0.00283  -0.63943
   D46       -3.03329  -0.00001  -0.00051   0.00031  -0.00021  -3.03350
   D47        2.40029   0.00002  -0.00260   0.00016  -0.00244   2.39785
   D48        0.00361  -0.00002   0.00036  -0.00017   0.00018   0.00379
   D49       -0.08378  -0.00001  -0.00043  -0.00009  -0.00052  -0.08430
   D50        2.99802  -0.00000  -0.00033   0.00022  -0.00011   2.99791
   D51       -3.12071   0.00000  -0.00127   0.00038  -0.00089  -3.12161
   D52       -0.03892   0.00001  -0.00117   0.00070  -0.00048  -0.03940
   D53        0.74678  -0.00002   0.00284  -0.00007   0.00278   0.74955
   D54       -2.47294   0.00001   0.00424   0.00030   0.00456  -2.46838
   D55       -3.12238   0.00000  -0.00040   0.00031  -0.00009  -3.12246
   D56       -0.05890   0.00004   0.00101   0.00068   0.00169  -0.05721
   D57        2.42769   0.00005   0.00140  -0.00084   0.00057   2.42826
   D58       -1.09318   0.00003  -0.00124   0.00024  -0.00098  -1.09416
   D59        0.06143   0.00003   0.00509  -0.00122   0.00386   0.06530
   D60        2.82375   0.00001   0.00244  -0.00014   0.00231   2.82606
   D61        3.09373  -0.00001  -0.00306   0.00064  -0.00241   3.09132
   D62        0.03260  -0.00006  -0.00450   0.00026  -0.00424   0.02836
   D63       -0.03204  -0.00001  -0.00054   0.00016  -0.00038  -0.03242
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   D65        3.07357  -0.00002  -0.00059   0.00000  -0.00059   3.07298
   D66       -0.02587  -0.00002  -0.00021  -0.00018  -0.00039  -0.02626
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   D71       -2.23474  -0.00003  -0.00017   0.00001  -0.00017  -2.23491
   D72        0.88998  -0.00002  -0.00146   0.00040  -0.00106   0.88892
   D73        0.94955  -0.00003   0.00022  -0.00018   0.00004   0.94958
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   D77        3.11416   0.00001   0.00028   0.00032   0.00060   3.11476
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   D79       -0.04380  -0.00007  -0.00756   0.00089  -0.00668  -0.05048
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   D81       -2.80032  -0.00005  -0.00414  -0.00056  -0.00469  -2.80500
   D82        0.38434  -0.00003  -0.00272  -0.00068  -0.00339   0.38095
   D83        0.16506  -0.00005   0.00298  -0.00185   0.00114   0.16620
   D84       -2.09589   0.00009   0.00252  -0.00128   0.00124  -2.09465
   D85        2.34959  -0.00001   0.00282  -0.00089   0.00192   2.35151
   D86        2.92713  -0.00009  -0.00014  -0.00059  -0.00072   2.92641
   D87        0.66618   0.00004  -0.00061  -0.00002  -0.00063   0.66556
   D88       -1.17152  -0.00006  -0.00030   0.00037   0.00006  -1.17146
   D89        0.01593   0.00006   0.00424   0.00008   0.00432   0.02025
   D90       -3.10258   0.00003   0.00259  -0.00016   0.00244  -3.10015
   D91        3.11677   0.00004   0.00291   0.00019   0.00310   3.11986
   D92       -0.00174   0.00001   0.00126  -0.00005   0.00121  -0.00053
   D93        3.12198  -0.00002  -0.00155  -0.00037  -0.00192   3.12006
   D94       -0.02325  -0.00005  -0.00167  -0.00076  -0.00243  -0.02569
   D95        0.02301  -0.00000  -0.00016  -0.00049  -0.00065   0.02236
   D96       -3.12223  -0.00003  -0.00029  -0.00088  -0.00116  -3.12339
   D97       -0.01023   0.00001   0.00186  -0.00066   0.00120  -0.00904
   D98        3.10910   0.00004   0.00346  -0.00043   0.00302   3.11211
   D99       -0.01897  -0.00001  -0.00137   0.00062  -0.00074  -0.01971
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   D101      -3.13881  -0.00003  -0.00292   0.00040  -0.00252  -3.14134
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   D109      -3.13525   0.00001   0.00140  -0.00016   0.00124  -3.13402
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   D111       0.01812  -0.00001   0.00032  -0.00063  -0.00031   0.01781
   D112      -3.11544  -0.00002  -0.00027  -0.00044  -0.00072  -3.11615
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   D114       0.02618  -0.00001  -0.00053   0.00002  -0.00052   0.02566
   D115      -2.17480  -0.00002  -0.00215   0.00017  -0.00198  -2.17678
   D116       0.96089  -0.00004   0.00017  -0.00067  -0.00050   0.96040
   D117       0.96677  -0.00003  -0.00189  -0.00029  -0.00218   0.96458
   D118      -2.18072  -0.00005   0.00044  -0.00114  -0.00070  -2.18142
   D119      -3.14042  -0.00000   0.00048  -0.00013   0.00034  -3.14008
   D120      -0.03896  -0.00002  -0.00044  -0.00017  -0.00061  -0.03957
   D121      -0.00243   0.00000  -0.00001  -0.00003  -0.00003  -0.00246
   D122       3.09903  -0.00001  -0.00093  -0.00006  -0.00099   3.09804
   D123       3.14147   0.00000  -0.00043   0.00009  -0.00034   3.14113
   D124      -0.03572   0.00000  -0.00088   0.00009  -0.00079  -0.03651
   D125       0.00349  -0.00000   0.00005  -0.00002   0.00003   0.00352
   D126       3.10948  -0.00000  -0.00039  -0.00002  -0.00041   3.10907
   D127       3.12538   0.00001  -0.00088   0.00012  -0.00076   3.12462
   D128       0.02152   0.00001  -0.00087   0.00010  -0.00077   0.02075
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   D130      -3.10571  -0.00000   0.00023  -0.00024  -0.00001  -3.10572
   D131      -3.12665  -0.00001   0.00096  -0.00015   0.00081  -3.12584
   D132       0.05874  -0.00002   0.00101  -0.00009   0.00092   0.05966
   D133       0.00048   0.00000  -0.00015   0.00019   0.00004   0.00052
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   D135       3.13369  -0.00002   0.00164  -0.00052   0.00112   3.13481
   D136       0.02092  -0.00001   0.00199  -0.00047   0.00151   0.02243
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   D139      -3.13481   0.00002  -0.00170   0.00056  -0.00113  -3.13595
   D140       0.03668   0.00003  -0.00147   0.00060  -0.00087   0.03582
   D141       0.00174  -0.00000   0.00030  -0.00016   0.00014   0.00188
   D142      -3.10995   0.00001   0.00053  -0.00012   0.00040  -3.10954
   D143       0.00247  -0.00000  -0.00020   0.00016  -0.00004   0.00243
   D144      -3.12819  -0.00000  -0.00023   0.00013  -0.00010  -3.12829
   D145       3.10981   0.00000  -0.00021   0.00017  -0.00004   3.10977
   D146      -0.02085   0.00000  -0.00024   0.00014  -0.00010  -0.02095
   D147       3.11982   0.00000   0.00018  -0.00010   0.00008   3.11990
   D148      -0.01111   0.00001   0.00003   0.00005   0.00008  -0.01103
   D149       0.02018   0.00000   0.00020  -0.00012   0.00008   0.02025
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   D151      -0.00214   0.00000   0.00011  -0.00005   0.00006  -0.00208
   D152       3.12370  -0.00000   0.00022  -0.00014   0.00008   3.12379
   D153       3.12633   0.00000   0.00015  -0.00001   0.00014   3.12647
   D154      -0.03101   0.00000   0.00026  -0.00010   0.00016  -0.03086
   D155       0.00631  -0.00000   0.00030  -0.00022   0.00008   0.00639
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   D158       0.01457  -0.00000   0.00044  -0.00030   0.00015   0.01472
   D159       0.00104  -0.00000   0.00002  -0.00009  -0.00007   0.00098
   D160       3.10304   0.00000  -0.00003  -0.00014  -0.00017   3.10288
   D161      -3.12742  -0.00000  -0.00007  -0.00001  -0.00008  -3.12750
   D162      -0.02542   0.00000  -0.00012  -0.00006  -0.00018  -0.02560
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   D164       0.01881   0.00000  -0.00016   0.00022   0.00006   0.01887
   D165       0.00803  -0.00001  -0.00011   0.00012   0.00001   0.00804
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   D167       3.11680   0.00001   0.00041  -0.00020   0.00021   3.11701
   D168      -0.00942  -0.00002  -0.00057   0.00010  -0.00047  -0.00989
   D169       0.02382   0.00001   0.00047  -0.00014   0.00033   0.02415
   D170      -3.10240  -0.00002  -0.00051   0.00017  -0.00034  -3.10274
   D171       0.00046  -0.00000  -0.00003   0.00006   0.00002   0.00049
   D172       3.12865  -0.00001  -0.00044  -0.00001  -0.00045   3.12820
   D173      -3.10482   0.00001   0.00078   0.00010   0.00088  -3.10395
   D174       0.02336   0.00000   0.00037   0.00003   0.00040   0.02376
   D175      -3.11938   0.00001   0.00041   0.00013   0.00054  -3.11884
   D176       0.01105   0.00001   0.00019   0.00013   0.00032   0.01137
   D177      -0.02233  -0.00001  -0.00060   0.00009  -0.00051  -0.02284
   D178       3.10810  -0.00001  -0.00082   0.00009  -0.00073   3.10737
   D179       0.00164   0.00000   0.00006  -0.00007  -0.00000   0.00164
   D180      -3.13053   0.00001   0.00038   0.00003   0.00041  -3.13012
   D181      -3.12389   0.00001   0.00054   0.00002   0.00056  -3.12333
   D182       0.02712   0.00002   0.00085   0.00011   0.00097   0.02809
   D183      -0.00730   0.00000   0.00015  -0.00015   0.00000  -0.00730
   D184       3.14093   0.00000  -0.00001   0.00005   0.00004   3.14097
   D185       3.11662  -0.00001  -0.00037  -0.00025  -0.00062   3.11600
   D186      -0.01833  -0.00001  -0.00054  -0.00004  -0.00058  -0.01891
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   D189       3.13057  -0.00000  -0.00034  -0.00003  -0.00036   3.13021
   D190       0.02109  -0.00000   0.00005  -0.00002   0.00003   0.02113
   D191       3.12675  -0.00000  -0.00055   0.00019  -0.00035   3.12639
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   D196       0.01042  -0.00001  -0.00004  -0.00005  -0.00009   0.01033
   D197      -0.02292   0.00001   0.00021  -0.00029  -0.00008  -0.02300
   D198       3.11254  -0.00001  -0.00053  -0.00005  -0.00058   3.11196
   D199       0.00283  -0.00000   0.00027  -0.00016   0.00011   0.00293
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   D209       3.12983  -0.00000   0.00004  -0.00023  -0.00019   3.12964
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   D280       3.13022   0.00000  -0.00046   0.00041  -0.00005   3.13017
   D281       3.14018  -0.00000   0.00046  -0.00036   0.00011   3.14029
   D282      -0.00571   0.00000   0.00020  -0.00007   0.00013  -0.00559
   D283      -0.00450  -0.00000  -0.00002  -0.00003  -0.00005  -0.00454
   D284       3.12858  -0.00000  -0.00019   0.00015  -0.00004   3.12853
   D285       3.14139  -0.00000   0.00024  -0.00031  -0.00007   3.14131
   D286      -0.00873  -0.00000   0.00007  -0.00014  -0.00006  -0.00879
   D287      -0.00363   0.00000   0.00019  -0.00021  -0.00002  -0.00365
   D288       3.13946   0.00000  -0.00021   0.00011  -0.00010   3.13936
   D289       3.13468  -0.00000  -0.00006  -0.00009  -0.00015   3.13452
   D290      -0.00542  -0.00000  -0.00046   0.00023  -0.00023  -0.00565
   D291      -0.00602   0.00000   0.00024  -0.00023   0.00001  -0.00601
   D292       3.13871   0.00000   0.00017  -0.00000   0.00017   3.13889
   D293       3.13407   0.00000   0.00064  -0.00055   0.00009   3.13416
   D294      -0.00438   0.00000   0.00058  -0.00032   0.00025  -0.00413
   D295       0.00525  -0.00000  -0.00062   0.00057  -0.00005   0.00519
   D296      -3.13246   0.00000  -0.00006   0.00016   0.00010  -3.13236
   D297      -3.13950  -0.00000  -0.00055   0.00034  -0.00021  -3.13971
   D298       0.00598   0.00000   0.00000  -0.00007  -0.00007   0.00592
   D299       1.80167  -0.00025   0.00423  -0.00046   0.00377   1.80544
   D300      -0.45166  -0.00017   0.00292  -0.00022   0.00271  -0.44896
   D301      -2.69418  -0.00006   0.00455  -0.00151   0.00303  -2.69115
   D302       3.09064  -0.00001   0.00268   0.00091   0.00358   3.09422
   D303      -1.02694   0.00018   0.00288   0.00147   0.00435  -1.02258
   D304       1.20692   0.00014   0.00073   0.00204   0.00278   1.20970
   D305      -2.31231   0.00018   0.01889   0.00106   0.01996  -2.29235
   D306      -0.17900   0.00018   0.02021   0.00100   0.02122  -0.15778
   D307       1.86824   0.00014   0.01981   0.00100   0.02079   1.88904
   D308       1.56296  -0.00019  -0.09619  -0.00116  -0.09735   1.46561
   D309      -2.61417  -0.00014  -0.09727   0.00021  -0.09711  -2.71128
   D310      -0.60069  -0.00000  -0.10112  -0.00026  -0.10132  -0.70202
   D311      -3.07457  -0.00009   0.00186   0.00072   0.00259  -3.07198
   D312      -0.98667  -0.00010   0.00173   0.00061   0.00233  -0.98434
   D313       1.12921  -0.00009   0.00203   0.00096   0.00299   1.13220
   D314       1.10696   0.00010  -0.00123   0.00115  -0.00009   1.10687
   D315      -3.08833   0.00010  -0.00137   0.00103  -0.00035  -3.08867
   D316      -0.97244   0.00011  -0.00106   0.00138   0.00031  -0.97214
   D317      -1.03880   0.00003  -0.00078   0.00165   0.00088  -1.03792
   D318       1.04910   0.00002  -0.00091   0.00154   0.00063   1.04972
   D319      -3.11821   0.00003  -0.00061   0.00189   0.00128  -3.11693
   D320      -0.93532   0.00022  -0.01904  -0.00185  -0.02089  -0.95621
   D321       1.16401   0.00019  -0.01662  -0.00198  -0.01859   1.14542
   D322      -2.94594   0.00023  -0.01697  -0.00258  -0.01956  -2.96550
   D323       3.08707   0.00006   0.00607   0.00296   0.00901   3.09608
   D324      -1.10072  -0.00002   0.00667   0.00276   0.00941  -1.09132
   D325       1.00773   0.00001   0.00704   0.00327   0.01029   1.01801
   D326       1.05555   0.00008   0.00940   0.00202   0.01142   1.06697
   D327      -3.13225   0.00000   0.01000   0.00182   0.01182  -3.12042
   D328      -1.02380   0.00003   0.01038   0.00233   0.01270  -1.01109
   D329      -1.05947   0.00003   0.00912   0.00125   0.01040  -1.04907
   D330       1.03592  -0.00004   0.00972   0.00105   0.01080   1.04672
   D331      -3.13882  -0.00002   0.01010   0.00156   0.01168  -3.12714
         Item               Value     Threshold  Converged?
 Maximum Force            0.001104     0.000450     NO 
 RMS     Force            0.000067     0.000300     YES
 Maximum Displacement     0.303362     0.001800     NO 
 RMS     Displacement     0.026563     0.001200     NO 
 Predicted change in Energy=-9.204179D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.588608    3.246521    0.120921
      2          6           0       -2.749836    1.866075    0.260118
      3          6           0       -1.648037    1.003786    0.205242
      4          6           0       -0.356397    1.554370    0.074262
      5          6           0       -0.202608    2.938221   -0.084314
      6          6           0       -1.304322    3.780546   -0.075338
      7          6           0       -1.786124   -0.464415    0.161062
      8          6           0       -0.655733   -1.291131    0.377201
      9          6           0        0.630386   -0.650963    0.805730
     10          6           0        0.826742    0.682996    0.142751
     11          6           0       -2.994324   -1.051332   -0.233058
     12          6           0       -3.092303   -2.422957   -0.472336
     13          6           0       -1.948490   -3.220233   -0.352347
     14          6           0       -0.752003   -2.653334    0.064969
     15          7           0        1.787074   -1.474959    0.887766
     16          6           0        3.038420   -0.967040    0.425669
     17          6           0        3.081027    0.320326   -0.158399
     18          7           0        1.961389    1.122551   -0.281095
     19          6           0        4.232236   -1.704810    0.473865
     20          6           0        5.420919   -1.175080   -0.012107
     21          6           0        5.462460    0.101314   -0.593108
     22          6           0        4.284175    0.832655   -0.669103
     23          7           0       -3.717399    4.099491    0.168952
     24          7           0       -4.322945   -2.989786   -0.881580
     25          7           0        6.681420    0.628779   -1.089746
     26          6           0       -4.955942   -4.086292   -0.278072
     27          6           0       -6.174525   -4.342231   -0.954952
     28          6           0       -6.282316   -3.361217   -2.015077
     29          6           0       -5.126108   -2.543941   -1.940815
     30          6           0       -3.847509    5.245193    0.968509
     31          6           0       -5.119778    5.825145    0.736245
     32          6           0       -5.789122    4.996155   -0.244502
     33          6           0       -4.899616    3.941705   -0.570383
     34          6           0        7.258563    1.850003   -0.718218
     35          6           0        8.475702    2.017277   -1.426185
     36          6           0        8.638880    0.847935   -2.264713
     37          6           0        7.515438    0.014377   -2.031786
     38          6           0       -7.234592   -3.120812   -3.011971
     39          6           0       -7.021624   -2.087024   -3.918967
     40          6           0       -5.860160   -1.300135   -3.844788
     41          6           0       -4.896859   -1.517398   -2.861453
     42          6           0       -4.561998   -4.837333    0.832456
     43          6           0       -5.400328   -5.871582    1.243113
     44          6           0       -6.603684   -6.150568    0.573523
     45          6           0       -6.997855   -5.387683   -0.521452
     46          6           0       -7.039639    5.063655   -0.869088
     47          6           0       -7.383981    4.093240   -1.805190
     48          6           0       -6.484733    3.064063   -2.129549
     49          6           0       -5.233030    2.976012   -1.524195
     50          6           0       -2.959774    5.782488    1.904687
     51          6           0       -3.354967    6.930436    2.588200
     52          6           0       -4.604392    7.529044    2.355615
     53          6           0       -5.491816    6.978503    1.436053
     54          6           0        9.615006    0.447814   -3.184448
     55          6           0        9.458370   -0.760118   -3.857591
     56          6           0        8.331630   -1.566843   -3.625219
     57          6           0        7.345424   -1.192912   -2.714943
     58          6           0        6.813576    2.797201    0.207745
     59          6           0        7.600394    3.929956    0.403983
     60          6           0        8.803114    4.118034   -0.297970
     61          6           0        9.246566    3.165465   -1.210257
     62          8           0        0.463937   -3.072644    2.682514
     63         15           0        1.768502   -2.803113    2.050395
     64          8           0        2.987620   -2.516252    3.048456
     65          8           0        2.369567   -3.953804    1.099420
     66          6           0        2.764169   -1.978595    4.396678
     67          6           0        3.703742   -0.811582    4.618544
     68          6           0        2.607652   -5.283360    1.656111
     69          6           0        1.347545   -6.130468    1.642467
     70          1           0       -3.744849    1.475710    0.434787
     71          1           0        0.797892    3.335154   -0.210921
     72          1           0       -1.182716    4.848823   -0.214950
     73          1           0       -3.870692   -0.435781   -0.391793
     74          1           0       -1.994081   -4.271600   -0.612614
     75          1           0        0.125741   -3.282341    0.091754
     76          1           0        4.248187   -2.697627    0.893909
     77          1           0        6.332593   -1.757767    0.062221
     78          1           0        4.255841    1.813532   -1.128962
     79          1           0       -8.125596   -3.738373   -3.079337
     80          1           0       -7.753709   -1.890514   -4.696044
     81          1           0       -5.702141   -0.509668   -4.572721
     82          1           0       -3.995069   -0.916609   -2.824646
     83          1           0       -3.642603   -4.619903    1.364573
     84          1           0       -5.116298   -6.470263    2.103461
     85          1           0       -7.233086   -6.964683    0.919287
     86          1           0       -7.934510   -5.595934   -1.030523
     87          1           0       -7.730587    5.866093   -0.626954
     88          1           0       -8.353264    4.131914   -2.292457
     89          1           0       -6.766738    2.316537   -2.865026
     90          1           0       -4.542911    2.184896   -1.793951
     91          1           0       -1.999848    5.319974    2.104033
     92          1           0       -2.681022    7.366511    3.319572
     93          1           0       -4.880555    8.424188    2.904175
     94          1           0       -6.463695    7.433141    1.266887
     95          1           0       10.481129    1.075662   -3.373154
     96          1           0       10.209199   -1.081353   -4.572843
     97          1           0        8.222188   -2.500969   -4.168308
     98          1           0        6.473028   -1.815687   -2.550485
     99          1           0        5.890143    2.657023    0.758476
    100          1           0        7.274659    4.681605    1.116941
    101          1           0        9.391223    5.013589   -0.123077
    102          1           0       10.180758    3.307932   -1.745967
    103          1           0        1.718652   -1.683198    4.493613
    104          1           0        2.968768   -2.804365    5.083917
    105          1           0        3.594608   -0.449256    5.646028
    106          1           0        4.745279   -1.108370    4.466227
    107          1           0        3.464544    0.009580    3.938629
    108          1           0        3.385159   -5.707353    1.016462
    109          1           0        3.019456   -5.178283    2.665019
    110          1           0        1.576152   -7.131652    2.022942
    111          1           0        0.573369   -5.682567    2.269046
    112          1           0        0.963781   -6.232911    0.623261
    113         17           0        0.317901    0.111540    2.768085
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351524           0.0181503           0.0142682
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10693.8371416854 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000251    0.000115    0.000177 Ang=  -0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48644589     A.U. after   11 cycles
            NFock= 11  Conv=0.66D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000015312   -0.000025308   -0.000006330
      2        6          -0.000068656    0.000042459    0.000041347
      3        6           0.000026694   -0.000151608   -0.000002787
      4        6          -0.000043739    0.000076308   -0.000068438
      5        6           0.000041915    0.000005758    0.000015934
      6        6           0.000009550    0.000021102    0.000001794
      7        6          -0.000020338    0.000164146    0.000017649
      8        6           0.000358392    0.000391716    0.000555551
      9        6           0.000114239   -0.000129780   -0.000563372
     10        6          -0.000009594   -0.000355940    0.000298141
     11        6          -0.000021820   -0.000049367   -0.000036291
     12        6          -0.000085429    0.000026900   -0.000019224
     13        6           0.000156309   -0.000004837    0.000000170
     14        6          -0.000052689   -0.000180153   -0.000016213
     15        7          -0.000529989    0.000371650    0.000187014
     16        6           0.000008538    0.000031310    0.000051389
     17        6           0.000135405   -0.000093367   -0.000028275
     18        7          -0.000011666    0.000171629   -0.000033524
     19        6          -0.000048579   -0.000055980    0.000008377
     20        6           0.000026170   -0.000024402    0.000013857
     21        6           0.000003584   -0.000051407    0.000022207
     22        6          -0.000077901    0.000034115    0.000021711
     23        7          -0.000017968   -0.000029496    0.000017666
     24        7           0.000035396    0.000009807    0.000111840
     25        7          -0.000100036    0.000087339   -0.000057044
     26        6           0.000009669   -0.000034417    0.000003009
     27        6           0.000005198   -0.000007334    0.000003527
     28        6          -0.000000495    0.000021199   -0.000010010
     29        6          -0.000048337    0.000043330   -0.000070278
     30        6           0.000007935    0.000070415    0.000001366
     31        6           0.000011377    0.000015860   -0.000020289
     32        6          -0.000016945   -0.000012430    0.000008948
     33        6           0.000005598   -0.000017207   -0.000015544
     34        6          -0.000015101   -0.000001851    0.000015706
     35        6           0.000005071    0.000027017   -0.000012591
     36        6           0.000009287   -0.000026845    0.000018162
     37        6           0.000081142   -0.000071118    0.000009897
     38        6          -0.000003009   -0.000027459   -0.000001022
     39        6          -0.000000761    0.000015493   -0.000014514
     40        6          -0.000007172    0.000029771   -0.000026193
     41        6           0.000014344   -0.000020062    0.000009742
     42        6           0.000024556    0.000015514    0.000004328
     43        6           0.000004912   -0.000016785    0.000006962
     44        6           0.000005446   -0.000006956    0.000006482
     45        6          -0.000007979    0.000004914   -0.000014754
     46        6          -0.000010255    0.000021156    0.000004796
     47        6          -0.000012277   -0.000001673   -0.000007310
     48        6          -0.000013437   -0.000018902   -0.000007556
     49        6           0.000019040   -0.000008732    0.000007750
     50        6           0.000020650   -0.000026549    0.000006363
     51        6           0.000012614    0.000001897    0.000003810
     52        6          -0.000000173   -0.000001478    0.000008226
     53        6          -0.000015515   -0.000006148    0.000007373
     54        6           0.000006906    0.000015422   -0.000007110
     55        6           0.000003310    0.000004511   -0.000015945
     56        6          -0.000000841   -0.000009806   -0.000010969
     57        6          -0.000024676    0.000011513    0.000003212
     58        6          -0.000014303   -0.000010983   -0.000013138
     59        6           0.000000506    0.000012977    0.000003469
     60        6           0.000000712   -0.000001374    0.000006482
     61        6           0.000022314   -0.000003248   -0.000005406
     62        8          -0.000014825    0.000265911    0.000022793
     63       15           0.000195722    0.000188214    0.000024931
     64        8          -0.000236165   -0.000146140    0.000316287
     65        8          -0.000293756   -0.000194731    0.000272267
     66        6           0.000186886    0.000252622   -0.000533993
     67        6           0.000027889    0.000095156    0.000005774
     68        6           0.000458597    0.000077594   -0.000289995
     69        6           0.000116119   -0.000142473   -0.000031197
     70        1           0.000010779   -0.000010553   -0.000018969
     71        1          -0.000002889    0.000004715    0.000001129
     72        1          -0.000010412   -0.000012069    0.000008925
     73        1           0.000001661    0.000022456   -0.000014254
     74        1          -0.000017073    0.000008290   -0.000005648
     75        1           0.000005305    0.000002620    0.000002070
     76        1           0.000050709    0.000061830    0.000009866
     77        1           0.000001659   -0.000002717   -0.000017344
     78        1           0.000033722    0.000009734    0.000002123
     79        1          -0.000001572    0.000007702    0.000003636
     80        1           0.000002321   -0.000002434    0.000001741
     81        1          -0.000002297   -0.000020186    0.000023734
     82        1           0.000006047    0.000013651    0.000009120
     83        1          -0.000009068    0.000001121   -0.000001991
     84        1          -0.000001599    0.000007748   -0.000003259
     85        1           0.000000470    0.000001569   -0.000001421
     86        1          -0.000001902    0.000002077    0.000006755
     87        1           0.000018371   -0.000014562   -0.000006292
     88        1           0.000007983    0.000000501    0.000004586
     89        1           0.000005804    0.000012520    0.000001310
     90        1          -0.000002716    0.000002502   -0.000001014
     91        1          -0.000008634    0.000001352   -0.000005736
     92        1          -0.000001051   -0.000001918   -0.000000232
     93        1          -0.000000157    0.000003188   -0.000003202
     94        1           0.000001782   -0.000000413   -0.000000760
     95        1          -0.000003760   -0.000005674    0.000003371
     96        1          -0.000003040   -0.000001984    0.000008108
     97        1          -0.000002411    0.000005682    0.000009500
     98        1           0.000003807    0.000001636   -0.000000299
     99        1          -0.000003225   -0.000000899    0.000007889
    100        1           0.000003776   -0.000005103    0.000000730
    101        1          -0.000000181    0.000006973   -0.000000966
    102        1          -0.000009401   -0.000001546    0.000006487
    103        1          -0.000055084   -0.000287557    0.000250457
    104        1           0.000014730    0.000005763   -0.000002049
    105        1           0.000016824   -0.000011749    0.000020668
    106        1          -0.000030444    0.000001098   -0.000001447
    107        1          -0.000016418   -0.000012929    0.000017360
    108        1           0.000005424   -0.000099766   -0.000021130
    109        1          -0.000266338   -0.000029835    0.000080991
    110        1           0.000027868    0.000029828    0.000006456
    111        1          -0.000075405   -0.000184556   -0.000139226
    112        1          -0.000055218    0.000029800    0.000087213
    113       17          -0.000001622   -0.000196290   -0.000535982
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000563372 RMS     0.000106121

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002459701 RMS     0.000180649
 Search for a local minimum.
 Step number  35 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35
 DE=  8.81D-06 DEPred=-9.20D-07 R=-9.57D+00
 Trust test=-9.57D+00 RLast= 1.88D-01 DXMaxT set to 6.39D-01
 ITU= -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1
 ITU= -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00318   0.00375   0.00475   0.00684   0.00946
     Eigenvalues ---    0.01203   0.01399   0.01681   0.01946   0.02383
     Eigenvalues ---    0.02481   0.02488   0.02542   0.02554   0.02586
     Eigenvalues ---    0.02603   0.02636   0.02666   0.02681   0.02689
     Eigenvalues ---    0.02698   0.02702   0.02711   0.02716   0.02737
     Eigenvalues ---    0.02754   0.02764   0.02777   0.02794   0.02795
     Eigenvalues ---    0.02802   0.02809   0.02812   0.02813   0.02826
     Eigenvalues ---    0.02833   0.02847   0.02858   0.02867   0.02871
     Eigenvalues ---    0.02876   0.02879   0.02887   0.02898   0.02900
     Eigenvalues ---    0.02902   0.02906   0.02909   0.02915   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02936   0.02945   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02953   0.02956   0.02960
     Eigenvalues ---    0.02962   0.02965   0.02967   0.02972   0.02976
     Eigenvalues ---    0.02989   0.02991   0.02992   0.02999   0.03002
     Eigenvalues ---    0.03019   0.03025   0.03035   0.03046   0.03055
     Eigenvalues ---    0.03059   0.03064   0.03073   0.03091   0.03094
     Eigenvalues ---    0.03098   0.03110   0.03120   0.03130   0.03141
     Eigenvalues ---    0.03160   0.03175   0.03176   0.03182   0.03198
     Eigenvalues ---    0.03225   0.03242   0.03250   0.03276   0.03318
     Eigenvalues ---    0.03448   0.03526   0.03804   0.05075   0.05164
     Eigenvalues ---    0.05527   0.05732   0.05774   0.05913   0.05931
     Eigenvalues ---    0.06149   0.06196   0.06999   0.08339   0.11177
     Eigenvalues ---    0.11941   0.12080   0.13546   0.14022   0.14221
     Eigenvalues ---    0.15201   0.15879   0.15934   0.15964   0.15985
     Eigenvalues ---    0.15992   0.15993   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16005   0.16007   0.16009   0.16017   0.16044
     Eigenvalues ---    0.16057   0.16093   0.16126   0.16229   0.18275
     Eigenvalues ---    0.19656   0.20996   0.21321   0.21996   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22151   0.22344
     Eigenvalues ---    0.22414   0.22459   0.22553   0.22578   0.22599
     Eigenvalues ---    0.22613   0.22628   0.22665   0.22769   0.22816
     Eigenvalues ---    0.23355   0.23475   0.23494   0.23792   0.24104
     Eigenvalues ---    0.24379   0.24436   0.24483   0.24495   0.24524
     Eigenvalues ---    0.24540   0.24582   0.24706   0.24785   0.24889
     Eigenvalues ---    0.24915   0.24962   0.24976   0.24978   0.24985
     Eigenvalues ---    0.24988   0.24989   0.24995   0.25035   0.25158
     Eigenvalues ---    0.25205   0.25900   0.26160   0.26556   0.27173
     Eigenvalues ---    0.27287   0.28111   0.28743   0.28843   0.29096
     Eigenvalues ---    0.29327   0.29341   0.29635   0.29867   0.30221
     Eigenvalues ---    0.30488   0.30657   0.30721   0.30850   0.30950
     Eigenvalues ---    0.31131   0.31180   0.31270   0.31412   0.31515
     Eigenvalues ---    0.31593   0.31705   0.32136   0.32233   0.32548
     Eigenvalues ---    0.33139   0.33381   0.33532   0.33964   0.34045
     Eigenvalues ---    0.34221   0.34496   0.34669   0.34937   0.35152
     Eigenvalues ---    0.35179   0.35429   0.35542   0.35760   0.36252
     Eigenvalues ---    0.36390   0.36779   0.37176   0.37309   0.39032
     Eigenvalues ---    0.39744   0.41364   0.41555   0.42063   0.42657
     Eigenvalues ---    0.42753   0.43438   0.43701   0.45275   0.45838
     Eigenvalues ---    0.47076   0.47096   0.47133   0.47215   0.47660
     Eigenvalues ---    0.47826   0.49614   0.50031   0.50112   0.50466
     Eigenvalues ---    0.50599   0.51145   0.51680   0.52042   0.52078
     Eigenvalues ---    0.52262   0.52630   0.52983   0.53135   0.53282
     Eigenvalues ---    0.53457   0.53804   0.54299   0.54348   0.55027
     Eigenvalues ---    0.55297   0.55606   0.55650   0.55721   0.56043
     Eigenvalues ---    0.56182   0.56236   0.56462   0.56621   0.56733
     Eigenvalues ---    0.56926   0.57183   0.57343   0.57902   0.58232
     Eigenvalues ---    0.58285   0.58306   0.58333   0.58513   0.58648
     Eigenvalues ---    0.58910   0.58999   0.59421   0.59710   0.59807
     Eigenvalues ---    0.60069   0.60568   0.60880   0.61445   0.62018
     Eigenvalues ---    0.63255   0.63494   0.64318   0.65130   0.65876
     Eigenvalues ---    0.66189   0.66758   0.67803   0.68865   0.72068
     Eigenvalues ---    0.73111   0.74577   0.78437   0.80260   0.81126
     Eigenvalues ---    0.85483   1.02876   5.58069
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    35   34   33   32   31   30   29   28   27   26
 RFO step:  Lambda=-6.50086189D-05.
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did     2 forward-backward iterations
 DidBck=T Rises=T En-DIIS coefs:    0.58937    0.03568    0.00000    0.37495    0.00000
                  En-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.02103409 RMS(Int)=  0.00044018
 Iteration  2 RMS(Cart)=  0.00067317 RMS(Int)=  0.00000271
 Iteration  3 RMS(Cart)=  0.00000046 RMS(Int)=  0.00000270
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63954  -0.00003  -0.00024   0.00023  -0.00001   2.63953
    R2        2.65444   0.00002  -0.00023   0.00032   0.00010   2.65453
    R3        2.67517  -0.00001   0.00054  -0.00070  -0.00016   2.67501
    R4        2.64596   0.00002   0.00031  -0.00028   0.00002   2.64599
    R5        2.04662  -0.00001   0.00001   0.00001   0.00001   2.04664
    R6        2.66487  -0.00003   0.00018  -0.00023  -0.00005   2.66482
    R7        2.78799  -0.00016  -0.00042   0.00031  -0.00012   2.78787
    R8        2.64821   0.00001   0.00001  -0.00002  -0.00001   2.64819
    R9        2.77976   0.00003   0.00068  -0.00076  -0.00008   2.77968
   R10        2.62077   0.00001   0.00012  -0.00018  -0.00006   2.62072
   R11        2.04805  -0.00000  -0.00004   0.00003  -0.00001   2.04804
   R12        2.04885  -0.00001   0.00002  -0.00004  -0.00002   2.04883
   R13        2.67779   0.00005   0.00017  -0.00013   0.00005   2.67783
   R14        2.64531   0.00002   0.00026  -0.00027  -0.00001   2.64531
   R15        2.83305  -0.00053  -0.00201   0.00172  -0.00028   2.83277
   R16        2.64721   0.00013   0.00040  -0.00035   0.00005   2.64726
   R17        2.83934  -0.00022   0.00025  -0.00071  -0.00046   2.83887
   R18        2.68821  -0.00039  -0.00140   0.00140   0.00000   2.68822
   R19        2.43494   0.00008  -0.00000   0.00016   0.00016   2.43510
   R20        2.63765  -0.00002  -0.00013   0.00009  -0.00004   2.63761
   R21        2.04590   0.00001   0.00000   0.00002   0.00002   2.04592
   R22        2.64451   0.00008   0.00012  -0.00004   0.00008   2.64459
   R23        2.67465  -0.00005   0.00009  -0.00021  -0.00012   2.67453
   R24        2.62332  -0.00008  -0.00020   0.00012  -0.00008   2.62324
   R25        2.04858  -0.00001   0.00001  -0.00001   0.00000   2.04858
   R26        2.04126   0.00000  -0.00012   0.00010  -0.00002   2.04124
   R27        2.69734   0.00003   0.00073  -0.00098  -0.00024   2.69709
   R28        3.33581   0.00002   0.00113  -0.00078   0.00035   3.33615
   R29        2.67265  -0.00004  -0.00038   0.00040   0.00003   2.67268
   R30        2.65359   0.00002   0.00004  -0.00004   0.00000   2.65359
   R31        2.61316   0.00004   0.00085  -0.00092  -0.00007   2.61309
   R32        2.65294  -0.00005  -0.00028   0.00026  -0.00001   2.65293
   R33        2.62512   0.00001   0.00020  -0.00024  -0.00004   2.62508
   R34        2.03738  -0.00005  -0.00001   0.00007   0.00006   2.03744
   R35        2.65133   0.00001  -0.00014   0.00021   0.00006   2.65139
   R36        2.04946   0.00000   0.00001  -0.00004  -0.00002   2.04944
   R37        2.62461  -0.00001   0.00004   0.00001   0.00005   2.62465
   R38        2.67964  -0.00000   0.00039  -0.00052  -0.00013   2.67951
   R39        2.04788   0.00000  -0.00001  -0.00001  -0.00002   2.04786
   R40        2.65159   0.00001  -0.00037   0.00052   0.00015   2.65173
   R41        2.65179  -0.00001  -0.00059   0.00077   0.00018   2.65197
   R42        2.65049  -0.00001  -0.00007   0.00009   0.00002   2.65051
   R43        2.64955   0.00006   0.00006   0.00006   0.00012   2.64966
   R44        2.64731  -0.00000  -0.00039   0.00056   0.00017   2.64748
   R45        2.64596   0.00003  -0.00004   0.00011   0.00008   2.64604
   R46        2.67823   0.00001   0.00010  -0.00014  -0.00004   2.67819
   R47        2.64057  -0.00000  -0.00003   0.00004   0.00001   2.64058
   R48        2.73708   0.00004   0.00012  -0.00011   0.00000   2.73709
   R49        2.64478   0.00000   0.00001  -0.00002  -0.00001   2.64478
   R50        2.67933  -0.00000   0.00003  -0.00006  -0.00002   2.67931
   R51        2.64455   0.00001   0.00005  -0.00008  -0.00003   2.64452
   R52        2.64151  -0.00001  -0.00004   0.00002  -0.00003   2.64148
   R53        2.67846  -0.00000   0.00011  -0.00017  -0.00006   2.67840
   R54        2.64101  -0.00001  -0.00008   0.00010   0.00002   2.64103
   R55        2.73659   0.00003   0.00011  -0.00014  -0.00003   2.73656
   R56        2.64452   0.00000   0.00009  -0.00010  -0.00002   2.64451
   R57        2.67867   0.00001   0.00019  -0.00022  -0.00003   2.67864
   R58        2.64458  -0.00000   0.00005  -0.00007  -0.00002   2.64455
   R59        2.64122   0.00000  -0.00002   0.00003   0.00000   2.64122
   R60        2.67957   0.00002   0.00018  -0.00020  -0.00002   2.67954
   R61        2.64062  -0.00000   0.00001  -0.00001  -0.00000   2.64062
   R62        2.73659   0.00002   0.00011  -0.00014  -0.00003   2.73657
   R63        2.64507   0.00001   0.00006  -0.00009  -0.00003   2.64504
   R64        2.67995   0.00000   0.00008  -0.00015  -0.00006   2.67988
   R65        2.64483   0.00001   0.00005  -0.00007  -0.00001   2.64482
   R66        2.64099  -0.00001  -0.00010   0.00013   0.00003   2.64102
   R67        2.62986   0.00002   0.00008  -0.00008   0.00000   2.62986
   R68        2.05260  -0.00000  -0.00002   0.00002  -0.00000   2.05260
   R69        2.65484   0.00001   0.00002  -0.00003  -0.00002   2.65482
   R70        2.05139  -0.00000   0.00002  -0.00003  -0.00001   2.05138
   R71        2.63351   0.00001   0.00003  -0.00003   0.00000   2.63351
   R72        2.05250  -0.00003  -0.00008   0.00008   0.00000   2.05250
   R73        2.04887   0.00001   0.00004  -0.00004   0.00000   2.04888
   R74        2.63283   0.00000   0.00004  -0.00005  -0.00001   2.63283
   R75        2.04903  -0.00001   0.00004  -0.00008  -0.00004   2.04899
   R76        2.65522   0.00001   0.00001  -0.00002  -0.00001   2.65521
   R77        2.05215  -0.00001  -0.00002   0.00003   0.00000   2.05215
   R78        2.62960   0.00002   0.00009  -0.00010  -0.00001   2.62959
   R79        2.05145  -0.00000   0.00000  -0.00001  -0.00000   2.05144
   R80        2.05263  -0.00000  -0.00000   0.00000  -0.00000   2.05263
   R81        2.62975   0.00001   0.00004  -0.00006  -0.00002   2.62973
   R82        2.05272  -0.00002  -0.00002   0.00000  -0.00002   2.05270
   R83        2.65442   0.00001   0.00010  -0.00015  -0.00005   2.65437
   R84        2.05141  -0.00001  -0.00003   0.00003   0.00000   2.05141
   R85        2.63274   0.00001  -0.00000   0.00002   0.00002   2.63276
   R86        2.05211  -0.00001  -0.00003   0.00003   0.00001   2.05212
   R87        2.04832  -0.00000   0.00004  -0.00007  -0.00003   2.04830
   R88        2.63287   0.00000  -0.00002   0.00003   0.00002   2.63288
   R89        2.04851  -0.00001   0.00002  -0.00006  -0.00004   2.04848
   R90        2.65471   0.00002   0.00014  -0.00019  -0.00005   2.65465
   R91        2.05213  -0.00000   0.00000  -0.00001  -0.00000   2.05213
   R92        2.62951   0.00002   0.00009  -0.00011  -0.00002   2.62950
   R93        2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05144
   R94        2.05265  -0.00000   0.00000  -0.00001  -0.00000   2.05264
   R95        2.62988   0.00001   0.00005  -0.00006  -0.00001   2.62987
   R96        2.05274  -0.00001   0.00001  -0.00002  -0.00001   2.05273
   R97        2.65528   0.00001   0.00007  -0.00010  -0.00003   2.65525
   R98        2.05148  -0.00001  -0.00001   0.00001  -0.00000   2.05148
   R99        2.63278   0.00000   0.00003  -0.00003   0.00000   2.63278
   R100       2.05235  -0.00001  -0.00002   0.00003   0.00000   2.05235
   R101       2.04926  -0.00000   0.00002  -0.00004  -0.00001   2.04924
   R102       2.63258   0.00001   0.00006  -0.00005   0.00000   2.63258
   R103       2.04901   0.00001   0.00006  -0.00008  -0.00003   2.04898
   R104       2.65548   0.00001   0.00005  -0.00008  -0.00003   2.65545
   R105       2.05224  -0.00000  -0.00002   0.00002  -0.00000   2.05224
   R106       2.62958   0.00001   0.00007  -0.00008  -0.00002   2.62956
   R107       2.05144   0.00001   0.00004  -0.00005  -0.00001   2.05144
   R108       2.05277  -0.00001  -0.00004   0.00005   0.00000   2.05277
   R109       2.78638  -0.00006  -0.00024  -0.00005  -0.00029   2.78609
   R110       3.02631  -0.00041  -0.00018  -0.00020  -0.00037   3.02594
   R111       3.04106   0.00030   0.00012  -0.00074  -0.00061   3.04045
   R112       2.77520  -0.00080  -0.00235   0.00218  -0.00017   2.77503
   R113       2.76075   0.00026  -0.00043   0.00034  -0.00009   2.76066
   R114       2.86213   0.00007   0.00044  -0.00033   0.00011   2.86225
   R115       2.06124  -0.00006   0.00027  -0.00032  -0.00005   2.06119
   R116       2.06669  -0.00000   0.00015  -0.00023  -0.00008   2.06661
   R117       2.06915   0.00002  -0.00003   0.00003  -0.00000   2.06915
   R118       2.06671  -0.00003  -0.00002   0.00002  -0.00000   2.06671
   R119       2.06474  -0.00001   0.00004  -0.00001   0.00003   2.06477
   R120       2.86943   0.00016  -0.00040  -0.00001  -0.00041   2.86902
   R121       2.06442   0.00004   0.00036  -0.00021   0.00014   2.06457
   R122       2.06881  -0.00004  -0.00030   0.00005  -0.00025   2.06856
   R123       2.06957  -0.00002  -0.00009   0.00002  -0.00007   2.06950
   R124       2.06367  -0.00009   0.00031  -0.00009   0.00022   2.06389
   R125       2.06711  -0.00006  -0.00016  -0.00000  -0.00016   2.06695
   R126       5.39835   0.00016  -0.00575  -0.00983  -0.01559   5.38276
    A1        2.08885   0.00002   0.00047  -0.00058  -0.00012   2.08874
    A2        2.09447  -0.00002  -0.00012   0.00012   0.00000   2.09447
    A3        2.09984  -0.00001  -0.00034   0.00046   0.00011   2.09995
    A4        2.11052  -0.00003  -0.00024   0.00028   0.00004   2.11056
    A5        2.06956   0.00003   0.00015  -0.00014   0.00001   2.06958
    A6        2.10284  -0.00000   0.00012  -0.00018  -0.00006   2.10278
    A7        2.07595   0.00001  -0.00024   0.00030   0.00006   2.07601
    A8        2.14169   0.00002   0.00012  -0.00018  -0.00006   2.14162
    A9        2.06178  -0.00003   0.00025  -0.00025   0.00000   2.06178
   A10        2.09045   0.00003   0.00040  -0.00045  -0.00006   2.09039
   A11        2.09566  -0.00005  -0.00022   0.00024   0.00003   2.09569
   A12        2.09667   0.00003  -0.00023   0.00027   0.00004   2.09671
   A13        2.10814  -0.00003  -0.00033   0.00037   0.00004   2.10818
   A14        2.06712   0.00002   0.00015  -0.00018  -0.00003   2.06709
   A15        2.10792   0.00001   0.00018  -0.00018  -0.00001   2.10791
   A16        2.09014   0.00000  -0.00004   0.00011   0.00006   2.09021
   A17        2.08879  -0.00001  -0.00037   0.00038   0.00001   2.08879
   A18        2.10425   0.00001   0.00041  -0.00048  -0.00007   2.10418
   A19        2.09597  -0.00001   0.00029  -0.00033  -0.00003   2.09594
   A20        2.10187   0.00002  -0.00024   0.00034   0.00009   2.10197
   A21        2.07927  -0.00000   0.00011  -0.00016  -0.00005   2.07922
   A22        2.07011   0.00007   0.00078  -0.00072   0.00008   2.07019
   A23        2.06975  -0.00001  -0.00033   0.00028  -0.00005   2.06970
   A24        2.13874  -0.00006  -0.00058   0.00057  -0.00002   2.13872
   A25        1.94453   0.00008   0.00199  -0.00209  -0.00009   1.94444
   A26        2.05635   0.00004   0.00104  -0.00062   0.00041   2.05675
   A27        2.01911   0.00002  -0.00001   0.00002   0.00002   2.01913
   A28        2.02790   0.00003   0.00061  -0.00058   0.00003   2.02794
   A29        2.08389  -0.00011  -0.00100   0.00104   0.00003   2.08392
   A30        2.16891   0.00008   0.00025  -0.00024   0.00002   2.16893
   A31        2.11867  -0.00000   0.00018  -0.00016   0.00002   2.11869
   A32        2.09618  -0.00002  -0.00048   0.00051   0.00003   2.09622
   A33        2.06777   0.00002   0.00030  -0.00035  -0.00005   2.06772
   A34        2.08035   0.00002  -0.00016   0.00017   0.00001   2.08036
   A35        2.09920  -0.00001   0.00054  -0.00066  -0.00012   2.09908
   A36        2.10285  -0.00001  -0.00037   0.00048   0.00010   2.10296
   A37        2.09162   0.00000   0.00009  -0.00016  -0.00006   2.09156
   A38        2.09160  -0.00002  -0.00028   0.00022  -0.00005   2.09155
   A39        2.09957   0.00002   0.00018  -0.00007   0.00011   2.09968
   A40        2.12156  -0.00001   0.00025  -0.00020   0.00006   2.12162
   A41        2.10004  -0.00000   0.00011  -0.00030  -0.00019   2.09985
   A42        2.06011   0.00001  -0.00037   0.00050   0.00012   2.06023
   A43        2.08065   0.00006   0.00027  -0.00019   0.00011   2.08076
   A44        2.05471  -0.00024   0.00160  -0.00108   0.00051   2.05522
   A45        2.08309   0.00013  -0.00167   0.00182   0.00013   2.08323
   A46        2.07603  -0.00002   0.00019  -0.00027  -0.00006   2.07597
   A47        2.14988   0.00003  -0.00004   0.00011   0.00005   2.14993
   A48        2.05647  -0.00002  -0.00015   0.00016   0.00001   2.05648
   A49        2.14161  -0.00005  -0.00025   0.00016  -0.00007   2.14154
   A50        2.10393   0.00006   0.00045  -0.00046  -0.00001   2.10392
   A51        2.03747  -0.00000  -0.00025   0.00036   0.00010   2.03756
   A52        2.07818  -0.00009  -0.00036   0.00037   0.00003   2.07821
   A53        2.11194  -0.00001  -0.00006   0.00006   0.00001   2.11195
   A54        2.10571   0.00006   0.00023  -0.00004   0.00019   2.10590
   A55        2.06552  -0.00005  -0.00018  -0.00002  -0.00020   2.06532
   A56        2.11428  -0.00001  -0.00014   0.00016   0.00002   2.11430
   A57        2.08341   0.00001   0.00023  -0.00032  -0.00009   2.08332
   A58        2.08550   0.00000  -0.00009   0.00015   0.00007   2.08556
   A59        2.06756   0.00002   0.00024  -0.00028  -0.00004   2.06752
   A60        2.10470   0.00001  -0.00005   0.00018   0.00013   2.10482
   A61        2.11093  -0.00003  -0.00018   0.00010  -0.00008   2.11084
   A62        2.11180  -0.00004  -0.00036   0.00038   0.00002   2.11183
   A63        2.05136   0.00005   0.00090  -0.00097  -0.00007   2.05129
   A64        2.12000  -0.00002  -0.00054   0.00059   0.00005   2.12005
   A65        2.19598   0.00000  -0.00010   0.00017   0.00007   2.19605
   A66        2.19708  -0.00002  -0.00016   0.00019   0.00003   2.19711
   A67        1.89011   0.00002   0.00026  -0.00035  -0.00009   1.89002
   A68        2.19085   0.00000  -0.00016   0.00024   0.00008   2.19093
   A69        2.20082  -0.00002   0.00004  -0.00007  -0.00003   2.20080
   A70        1.89140   0.00002   0.00009  -0.00011  -0.00002   1.89138
   A71        2.19634  -0.00001  -0.00011   0.00012   0.00001   2.19634
   A72        2.19500  -0.00000  -0.00002   0.00005   0.00003   2.19503
   A73        1.89184   0.00001   0.00013  -0.00019  -0.00005   1.89179
   A74        1.90045  -0.00001  -0.00005   0.00007   0.00002   1.90047
   A75        2.25871  -0.00001  -0.00001  -0.00003  -0.00004   2.25867
   A76        2.12341   0.00002   0.00008  -0.00008   0.00001   2.12342
   A77        1.86632   0.00001   0.00002  -0.00002   0.00000   1.86632
   A78        2.08607  -0.00002  -0.00009   0.00009   0.00000   2.08607
   A79        2.33072   0.00001   0.00007  -0.00007  -0.00000   2.33072
   A80        1.86648  -0.00000  -0.00003   0.00007   0.00004   1.86651
   A81        2.33006   0.00001   0.00008  -0.00013  -0.00005   2.33001
   A82        2.08655  -0.00001  -0.00005   0.00007   0.00001   2.08657
   A83        1.90012  -0.00002  -0.00002  -0.00001  -0.00004   1.90009
   A84        2.26159  -0.00001  -0.00006   0.00009   0.00004   2.26163
   A85        2.12065   0.00002   0.00009  -0.00009   0.00000   2.12065
   A86        1.90070  -0.00001  -0.00004   0.00006   0.00002   1.90072
   A87        2.26103  -0.00002  -0.00036   0.00041   0.00005   2.26108
   A88        2.12073   0.00003   0.00045  -0.00056  -0.00010   2.12063
   A89        1.86674   0.00000  -0.00010   0.00013   0.00003   1.86677
   A90        2.08738  -0.00001  -0.00033   0.00040   0.00007   2.08745
   A91        2.32896   0.00001   0.00044  -0.00055  -0.00011   2.32885
   A92        1.86658   0.00000  -0.00012   0.00016   0.00004   1.86662
   A93        2.32907   0.00001   0.00037  -0.00051  -0.00013   2.32894
   A94        2.08749  -0.00001  -0.00025   0.00034   0.00009   2.08759
   A95        1.90065  -0.00001   0.00000  -0.00001  -0.00000   1.90065
   A96        2.26297  -0.00000  -0.00027   0.00038   0.00011   2.26308
   A97        2.11902   0.00001   0.00030  -0.00042  -0.00013   2.11889
   A98        1.90081  -0.00000   0.00006  -0.00009  -0.00003   1.90078
   A99        2.25940  -0.00000  -0.00017   0.00028   0.00011   2.25951
   A100       2.12261   0.00000   0.00012  -0.00020  -0.00008   2.12253
   A101       1.86562  -0.00000  -0.00012   0.00017   0.00004   1.86566
   A102       2.08573  -0.00000  -0.00009   0.00015   0.00006   2.08579
   A103       2.33180   0.00001   0.00022  -0.00032  -0.00011   2.33169
   A104       1.86528   0.00001  -0.00000   0.00003   0.00002   1.86530
   A105       2.33221  -0.00000   0.00021  -0.00032  -0.00010   2.33211
   A106       2.08564  -0.00000  -0.00020   0.00027   0.00007   2.08571
   A107       1.90123  -0.00001  -0.00007   0.00009   0.00002   1.90125
   A108       2.25943  -0.00001  -0.00015   0.00019   0.00003   2.25946
   A109       2.12214   0.00001   0.00025  -0.00033  -0.00008   2.12206
   A110       2.08030  -0.00001  -0.00004   0.00003  -0.00001   2.08030
   A111       2.09983   0.00000   0.00010  -0.00011  -0.00001   2.09982
   A112       2.10303   0.00000  -0.00005   0.00007   0.00002   2.10305
   A113       2.10387   0.00000   0.00008  -0.00009  -0.00001   2.10385
   A114       2.09187  -0.00000  -0.00007   0.00008   0.00000   2.09187
   A115       2.08742   0.00000  -0.00000   0.00002   0.00001   2.08743
   A116       2.11929  -0.00000  -0.00007   0.00009   0.00002   2.11931
   A117       2.08579   0.00000   0.00000   0.00001   0.00001   2.08580
   A118       2.07807   0.00000   0.00007  -0.00010  -0.00003   2.07804
   A119       2.05540  -0.00001   0.00001  -0.00003  -0.00002   2.05538
   A120       2.11881   0.00000  -0.00001   0.00003   0.00002   2.11883
   A121       2.10889   0.00001   0.00001  -0.00002  -0.00001   2.10888
   A122       2.05286  -0.00001   0.00000  -0.00001  -0.00001   2.05285
   A123       2.11916   0.00000  -0.00007   0.00009   0.00002   2.11918
   A124       2.11112   0.00001   0.00007  -0.00007  -0.00001   2.11111
   A125       2.12029  -0.00001  -0.00005   0.00005   0.00000   2.12030
   A126       2.07760  -0.00000  -0.00004   0.00006   0.00002   2.07762
   A127       2.08528   0.00001   0.00009  -0.00011  -0.00002   2.08525
   A128       2.10451   0.00001   0.00005  -0.00005  -0.00000   2.10451
   A129       2.08710  -0.00000  -0.00002   0.00003   0.00001   2.08711
   A130       2.09156  -0.00000  -0.00003   0.00002  -0.00001   2.09155
   A131       2.07901  -0.00000   0.00001  -0.00001   0.00000   2.07901
   A132       2.10056   0.00000   0.00008  -0.00008  -0.00000   2.10056
   A133       2.10359  -0.00000  -0.00009   0.00009   0.00000   2.10360
   A134       2.08025   0.00000   0.00003  -0.00003   0.00000   2.08025
   A135       2.09964  -0.00000   0.00005  -0.00007  -0.00002   2.09962
   A136       2.10330   0.00000  -0.00008   0.00010   0.00002   2.10332
   A137       2.10349   0.00000   0.00009  -0.00014  -0.00004   2.10344
   A138       2.09213  -0.00000  -0.00007   0.00011   0.00003   2.09216
   A139       2.08756  -0.00000  -0.00002   0.00003   0.00001   2.08757
   A140       2.11899  -0.00000  -0.00001   0.00003   0.00001   2.11900
   A141       2.08806   0.00000  -0.00019   0.00022   0.00004   2.08810
   A142       2.07612   0.00000   0.00020  -0.00025  -0.00005   2.07608
   A143       2.05689  -0.00000  -0.00015   0.00021   0.00006   2.05695
   A144       2.12027   0.00000  -0.00024   0.00032   0.00008   2.12034
   A145       2.10600   0.00000   0.00040  -0.00053  -0.00014   2.10587
   A146       2.05467  -0.00001  -0.00018   0.00024   0.00005   2.05473
   A147       2.11956   0.00000  -0.00019   0.00022   0.00003   2.11959
   A148       2.10889   0.00001   0.00038  -0.00046  -0.00008   2.10881
   A149       2.12015  -0.00001  -0.00009   0.00009   0.00000   2.12016
   A150       2.07743   0.00000   0.00019  -0.00022  -0.00003   2.07739
   A151       2.08559   0.00000  -0.00010   0.00013   0.00003   2.08562
   A152       2.10370   0.00001   0.00018  -0.00021  -0.00004   2.10366
   A153       2.08743  -0.00000  -0.00006   0.00008   0.00002   2.08745
   A154       2.09203  -0.00001  -0.00011   0.00013   0.00002   2.09205
   A155       2.07946  -0.00000  -0.00002   0.00003   0.00001   2.07947
   A156       2.10011   0.00000   0.00006  -0.00006   0.00000   2.10012
   A157       2.10359   0.00000  -0.00005   0.00004  -0.00001   2.10358
   A158       2.08002  -0.00000   0.00002  -0.00003  -0.00001   2.08001
   A159       2.10020   0.00000   0.00006  -0.00010  -0.00003   2.10017
   A160       2.10295   0.00000  -0.00008   0.00013   0.00005   2.10300
   A161       2.10435   0.00000   0.00007  -0.00010  -0.00003   2.10432
   A162       2.09172   0.00000   0.00000   0.00000   0.00000   2.09172
   A163       2.08711  -0.00000  -0.00007   0.00009   0.00002   2.08713
   A164       2.11950   0.00000  -0.00004   0.00006   0.00001   2.11952
   A165       2.08510   0.00000   0.00005  -0.00005   0.00000   2.08510
   A166       2.07858  -0.00001  -0.00001  -0.00001  -0.00002   2.07856
   A167       2.05457  -0.00000  -0.00009   0.00012   0.00003   2.05460
   A168       2.11746   0.00000  -0.00006   0.00009   0.00003   2.11750
   A169       2.11112   0.00000   0.00015  -0.00021  -0.00006   2.11106
   A170       2.05404  -0.00000  -0.00005   0.00007   0.00002   2.05407
   A171       2.11782   0.00001  -0.00007   0.00014   0.00008   2.11790
   A172       2.11131  -0.00000   0.00012  -0.00022  -0.00010   2.11121
   A173       2.11984   0.00000  -0.00005   0.00008   0.00003   2.11987
   A174       2.07814  -0.00000   0.00008  -0.00012  -0.00004   2.07809
   A175       2.08521  -0.00000  -0.00003   0.00004   0.00001   2.08522
   A176       2.10439   0.00000   0.00012  -0.00017  -0.00005   2.10435
   A177       2.08704  -0.00000  -0.00006   0.00008   0.00002   2.08706
   A178       2.09175  -0.00000  -0.00006   0.00008   0.00003   2.09178
   A179       2.07965  -0.00000  -0.00005   0.00006   0.00001   2.07966
   A180       2.10033   0.00000   0.00011  -0.00015  -0.00003   2.10030
   A181       2.10320  -0.00000  -0.00007   0.00009   0.00002   2.10322
   A182       2.01440  -0.00023   0.00160  -0.00164  -0.00003   2.01437
   A183       1.84179  -0.00086  -0.00358   0.00420   0.00063   1.84242
   A184       1.71617   0.00050   0.00052  -0.00004   0.00047   1.71664
   A185       2.02539   0.00007   0.00130  -0.00089   0.00041   2.02579
   A186       2.04103   0.00015  -0.00095   0.00018  -0.00077   2.04025
   A187       1.78445   0.00041   0.00066  -0.00133  -0.00067   1.78378
   A188       2.11987  -0.00246   0.00159  -0.00089   0.00070   2.12057
   A189       2.07880   0.00126  -0.00023   0.00163   0.00140   2.08020
   A190       1.89883   0.00020  -0.00118   0.00120   0.00001   1.89885
   A191       1.90348  -0.00121   0.00091   0.00003   0.00095   1.90442
   A192       1.84626   0.00046   0.00228  -0.00256  -0.00028   1.84598
   A193       1.95296   0.00071  -0.00091   0.00024  -0.00067   1.95229
   A194       1.95378  -0.00023  -0.00020  -0.00001  -0.00021   1.95357
   A195       1.90494   0.00001  -0.00069   0.00094   0.00025   1.90519
   A196       1.90774  -0.00000   0.00040  -0.00053  -0.00012   1.90762
   A197       1.94045  -0.00000  -0.00015   0.00022   0.00007   1.94052
   A198       1.93064  -0.00001  -0.00026   0.00049   0.00023   1.93087
   A199       1.89169  -0.00000   0.00010  -0.00015  -0.00005   1.89163
   A200       1.88959   0.00001   0.00048  -0.00052  -0.00004   1.88955
   A201       1.90263   0.00001  -0.00054   0.00045  -0.00009   1.90254
   A202       1.94878   0.00047  -0.00394  -0.00016  -0.00410   1.94468
   A203       1.81944  -0.00005   0.00287   0.00050   0.00338   1.82281
   A204       1.90193  -0.00015   0.00241   0.00012   0.00254   1.90447
   A205       1.94856  -0.00033   0.00065  -0.00061   0.00003   1.94859
   A206       1.95410  -0.00012  -0.00158  -0.00070  -0.00228   1.95182
   A207       1.88508   0.00018   0.00003   0.00098   0.00101   1.88609
   A208       1.91098  -0.00011   0.00096  -0.00066   0.00030   1.91128
   A209       1.93301   0.00033  -0.00083   0.00086   0.00003   1.93304
   A210       1.93025   0.00001   0.00006   0.00050   0.00055   1.93081
   A211       1.90033  -0.00009  -0.00102  -0.00024  -0.00126   1.89906
   A212       1.88738   0.00003   0.00049   0.00010   0.00059   1.88797
   A213       1.90107  -0.00018   0.00036  -0.00059  -0.00024   1.90083
   A214       2.19749  -0.00139   0.01352  -0.00120   0.01232   2.20980
    D1       -0.00138  -0.00001  -0.00016   0.00006  -0.00009  -0.00147
    D2        3.11594  -0.00001   0.00115  -0.00146  -0.00031   3.11563
    D3        3.13284  -0.00001  -0.00006  -0.00003  -0.00009   3.13276
    D4       -0.03302  -0.00001   0.00124  -0.00155  -0.00030  -0.03333
    D5       -0.03778   0.00001   0.00006   0.00024   0.00030  -0.03748
    D6        3.10769   0.00001   0.00095  -0.00097  -0.00001   3.10768
    D7        3.11120   0.00001  -0.00003   0.00033   0.00030   3.11150
    D8       -0.02651   0.00001   0.00086  -0.00088  -0.00002  -0.02653
    D9        2.26051   0.00001  -0.00646   0.00918   0.00272   2.26323
   D10       -0.87642   0.00001  -0.00592   0.00751   0.00160  -0.87482
   D11       -0.88850   0.00002  -0.00636   0.00908   0.00273  -0.88577
   D12        2.25775   0.00001  -0.00582   0.00742   0.00160   2.25936
   D13        0.05558  -0.00000   0.00002  -0.00032  -0.00030   0.05528
   D14       -2.99095  -0.00004  -0.00155   0.00126  -0.00029  -2.99124
   D15       -3.06127  -0.00001  -0.00131   0.00122  -0.00008  -3.06135
   D16        0.17538  -0.00004  -0.00288   0.00281  -0.00007   0.17531
   D17       -0.07104   0.00002   0.00017   0.00032   0.00049  -0.07054
   D18        3.03994  -0.00001  -0.00152   0.00248   0.00096   3.04090
   D19        2.97987   0.00005   0.00167  -0.00119   0.00048   2.98035
   D20       -0.19234   0.00003  -0.00003   0.00097   0.00094  -0.19140
   D21       -2.91927   0.00002   0.00302  -0.00406  -0.00103  -2.92031
   D22        0.34158   0.00000   0.00145  -0.00264  -0.00119   0.34038
   D23        0.31665  -0.00002   0.00149  -0.00251  -0.00102   0.31562
   D24       -2.70569  -0.00003  -0.00009  -0.00110  -0.00118  -2.70687
   D25        0.03296  -0.00002  -0.00026  -0.00003  -0.00029   0.03267
   D26       -3.11205  -0.00002  -0.00046   0.00031  -0.00015  -3.11220
   D27       -3.07800   0.00001   0.00144  -0.00219  -0.00076  -3.07876
   D28        0.06018   0.00001   0.00124  -0.00185  -0.00061   0.05956
   D29       -0.35370   0.00007   0.00235  -0.00299  -0.00063  -0.35433
   D30        2.86030   0.00008   0.00433  -0.00625  -0.00191   2.85838
   D31        2.75716   0.00004   0.00066  -0.00083  -0.00017   2.75700
   D32       -0.31202   0.00005   0.00264  -0.00409  -0.00145  -0.31347
   D33        0.02190   0.00001   0.00014  -0.00025  -0.00011   0.02179
   D34       -3.12361   0.00001  -0.00076   0.00097   0.00021  -3.12340
   D35       -3.11619   0.00000   0.00034  -0.00060  -0.00026  -3.11645
   D36        0.02148  -0.00000  -0.00056   0.00062   0.00006   0.02154
   D37        0.12303  -0.00006  -0.00485   0.00555   0.00069   0.12372
   D38       -2.91844  -0.00003  -0.00345   0.00411   0.00065  -2.91779
   D39       -3.13628  -0.00004  -0.00333   0.00418   0.00086  -3.13542
   D40        0.10543  -0.00001  -0.00193   0.00275   0.00082   0.10625
   D41        2.97476   0.00002   0.00337  -0.00381  -0.00044   2.97433
   D42       -0.13006   0.00002   0.00326  -0.00379  -0.00053  -0.13059
   D43       -0.04870   0.00001   0.00181  -0.00240  -0.00060  -0.04930
   D44        3.12966   0.00001   0.00169  -0.00238  -0.00069   3.12897
   D45       -0.63943   0.00010   0.00640  -0.00674  -0.00034  -0.63977
   D46       -3.03350  -0.00008   0.00281  -0.00355  -0.00074  -3.03424
   D47        2.39785   0.00007   0.00496  -0.00526  -0.00030   2.39755
   D48        0.00379  -0.00011   0.00137  -0.00207  -0.00070   0.00309
   D49       -0.08430   0.00002   0.00075  -0.00120  -0.00045  -0.08475
   D50        2.99791  -0.00000   0.00049  -0.00131  -0.00082   2.99709
   D51       -3.12161   0.00004   0.00212  -0.00262  -0.00050  -3.12210
   D52       -0.03940   0.00002   0.00186  -0.00272  -0.00087  -0.04026
   D53        0.74955  -0.00010  -0.00505   0.00532   0.00028   0.74983
   D54       -2.46838  -0.00012  -0.00720   0.00882   0.00163  -2.46675
   D55       -3.12246   0.00008  -0.00109   0.00194   0.00085  -3.12162
   D56       -0.05721   0.00006  -0.00324   0.00543   0.00220  -0.05502
   D57        2.42826   0.00024  -0.00029  -0.00011  -0.00039   2.42787
   D58       -1.09416   0.00013  -0.00012   0.00186   0.00174  -1.09242
   D59        0.06530   0.00003  -0.00488   0.00410  -0.00078   0.06452
   D60        2.82606  -0.00008  -0.00471   0.00607   0.00136   2.82742
   D61        3.09132  -0.00010   0.00448  -0.00466  -0.00017   3.09114
   D62        0.02836  -0.00008   0.00662  -0.00819  -0.00157   0.02679
   D63       -0.03242  -0.00000  -0.00048   0.00045  -0.00003  -0.03245
   D64       -3.13166  -0.00000  -0.00088   0.00092   0.00004  -3.13162
   D65        3.07298  -0.00000  -0.00039   0.00045   0.00007   3.07305
   D66       -0.02626  -0.00000  -0.00078   0.00092   0.00014  -0.02612
   D67        0.05538   0.00001  -0.00073   0.00114   0.00042   0.05580
   D68       -3.05600   0.00000  -0.00072   0.00130   0.00058  -3.05542
   D69       -3.12865   0.00001  -0.00031   0.00064   0.00034  -3.12831
   D70        0.04315   0.00000  -0.00029   0.00080   0.00051   0.04366
   D71       -2.23491  -0.00003   0.00250  -0.00487  -0.00237  -2.23728
   D72        0.88892  -0.00001   0.00026   0.00043   0.00069   0.88961
   D73        0.94958  -0.00003   0.00209  -0.00439  -0.00230   0.94729
   D74       -2.20977  -0.00001  -0.00015   0.00092   0.00077  -2.20900
   D75        0.00352  -0.00001   0.00059  -0.00077  -0.00017   0.00334
   D76       -3.08001   0.00001   0.00083  -0.00064   0.00020  -3.07981
   D77        3.11476  -0.00001   0.00058  -0.00092  -0.00034   3.11442
   D78        0.03124   0.00001   0.00082  -0.00079   0.00003   0.03127
   D79       -0.05048  -0.00009   0.00917  -0.01018  -0.00101  -0.05149
   D80        3.13547  -0.00007   0.00934  -0.01035  -0.00102   3.13445
   D81       -2.80500   0.00010   0.00827  -0.01153  -0.00326  -2.80827
   D82        0.38095   0.00012   0.00844  -0.01171  -0.00327   0.37767
   D83        0.16620  -0.00012  -0.00133  -0.00091  -0.00225   0.16396
   D84       -2.09465   0.00069  -0.00126  -0.00204  -0.00330  -2.09795
   D85        2.35151   0.00029  -0.00131  -0.00157  -0.00288   2.34863
   D86        2.92641  -0.00024  -0.00073   0.00061  -0.00011   2.92630
   D87        0.66556   0.00057  -0.00065  -0.00052  -0.00116   0.66439
   D88       -1.17146   0.00017  -0.00071  -0.00005  -0.00075  -1.17221
   D89        0.02025   0.00008  -0.00606   0.00783   0.00177   0.02202
   D90       -3.10015   0.00003  -0.00334   0.00428   0.00093  -3.09922
   D91        3.11986   0.00006  -0.00622   0.00800   0.00178   3.12165
   D92       -0.00053   0.00002  -0.00350   0.00444   0.00094   0.00041
   D93        3.12006  -0.00003   0.00271  -0.00364  -0.00092   3.11914
   D94       -0.02569  -0.00004   0.00156  -0.00279  -0.00123  -0.02692
   D95        0.02236  -0.00002   0.00287  -0.00380  -0.00093   0.02143
   D96       -3.12339  -0.00002   0.00172  -0.00296  -0.00124  -3.12463
   D97       -0.00904   0.00001  -0.00191   0.00145  -0.00047  -0.00951
   D98        3.11211   0.00005  -0.00452   0.00487   0.00034   3.11246
   D99       -0.01971  -0.00000   0.00191  -0.00220  -0.00029  -0.02000
   D100       3.11454   0.00001   0.00160  -0.00196  -0.00036   3.11418
   D101      -3.14134  -0.00004   0.00447  -0.00555  -0.00108   3.14077
   D102      -0.00708  -0.00003   0.00416  -0.00531  -0.00115  -0.00823
   D103      -0.02465   0.00000  -0.00062   0.00088   0.00026  -0.02438
   D104       3.11353   0.00001   0.00047  -0.00035   0.00012   3.11365
   D105       3.12101   0.00000   0.00051   0.00005   0.00057   3.12157
   D106      -0.02401   0.00001   0.00160  -0.00117   0.00043  -0.02358
   D107       0.00415   0.00001  -0.00107   0.00149   0.00042   0.00457
   D108      -3.13766  -0.00000  -0.00087   0.00088   0.00001  -3.13765
   D109      -3.13402   0.00000  -0.00216   0.00271   0.00056  -3.13346
   D110       0.00736  -0.00001  -0.00195   0.00210   0.00015   0.00750
   D111       0.01781  -0.00001   0.00041  -0.00081  -0.00040   0.01741
   D112      -3.11615  -0.00003   0.00073  -0.00106  -0.00033  -3.11648
   D113      -3.12356   0.00000   0.00021  -0.00020   0.00001  -3.12355
   D114       0.02566  -0.00001   0.00053  -0.00044   0.00008   0.02575
   D115      -2.17678  -0.00001   0.00337  -0.00433  -0.00096  -2.17774
   D116       0.96040  -0.00003   0.00512  -0.01039  -0.00527   0.95513
   D117       0.96458  -0.00002   0.00357  -0.00495  -0.00138   0.96321
   D118      -2.18142  -0.00005   0.00533  -0.01102  -0.00569  -2.18711
   D119      -3.14008  -0.00000   0.00068  -0.00158  -0.00090  -3.14098
   D120      -0.03957  -0.00001   0.00224  -0.00402  -0.00178  -0.04135
   D121      -0.00246   0.00000   0.00022  -0.00016   0.00006  -0.00240
   D122       3.09804  -0.00000   0.00177  -0.00260  -0.00082   3.09722
   D123       3.14113   0.00000  -0.00062   0.00147   0.00085  -3.14121
   D124      -0.03651   0.00000   0.00049  -0.00013   0.00035  -0.03615
   D125       0.00352  -0.00000  -0.00016   0.00005  -0.00011   0.00341
   D126       3.10907  -0.00000   0.00095  -0.00155  -0.00060   3.10846
   D127       3.12462   0.00001  -0.00156   0.00388   0.00231   3.12693
   D128       0.02075   0.00001  -0.00234   0.00508   0.00274   0.02350
   D129      -0.00186  -0.00000   0.00034  -0.00064  -0.00030  -0.00215
   D130      -3.10572  -0.00000  -0.00043   0.00056   0.00013  -3.10558
   D131      -3.12584  -0.00001   0.00151  -0.00382  -0.00231  -3.12816
   D132       0.05966  -0.00002   0.00126  -0.00357  -0.00231   0.05735
   D133       0.00052  -0.00000  -0.00042   0.00073   0.00032   0.00084
   D134      -3.09716  -0.00000  -0.00067   0.00099   0.00032  -3.09684
   D135       3.13481  -0.00002   0.00138  -0.00455  -0.00317   3.13165
   D136       0.02243  -0.00002   0.00096  -0.00397  -0.00301   0.01942
   D137      -0.00301   0.00000  -0.00012   0.00064   0.00052  -0.00249
   D138      -3.11539   0.00000  -0.00054   0.00121   0.00067  -3.11472
   D139      -3.13595   0.00002  -0.00141   0.00460   0.00320  -3.13275
   D140       0.03582   0.00003  -0.00248   0.00663   0.00415   0.03997
   D141       0.00188  -0.00000   0.00009  -0.00058  -0.00048   0.00139
   D142      -3.10954   0.00000  -0.00098   0.00145   0.00047  -3.10907
   D143       0.00243   0.00000  -0.00014   0.00030   0.00016   0.00259
   D144      -3.12829  -0.00000  -0.00043   0.00070   0.00027  -3.12802
   D145       3.10977   0.00000   0.00056  -0.00079  -0.00023   3.10954
   D146      -0.02095   0.00000   0.00027  -0.00039  -0.00012  -0.02107
   D147       3.11990   0.00000   0.00064  -0.00096  -0.00032   3.11958
   D148      -0.01103   0.00000   0.00092  -0.00119  -0.00027  -0.01131
   D149       0.02025   0.00000  -0.00021   0.00037   0.00016   0.02041
   D150      -3.11068   0.00000   0.00006   0.00015   0.00020  -3.11048
   D151      -0.00208  -0.00000  -0.00011   0.00015   0.00003  -0.00204
   D152       3.12379  -0.00000  -0.00046   0.00053   0.00008   3.12386
   D153       3.12647   0.00000   0.00023  -0.00033  -0.00010   3.12637
   D154      -0.03086  -0.00000  -0.00011   0.00006  -0.00006  -0.03091
   D155       0.00639  -0.00000  -0.00015   0.00014  -0.00002   0.00638
   D156      -3.14123  -0.00000  -0.00029   0.00024  -0.00005  -3.14127
   D157      -3.12085  -0.00000  -0.00053   0.00066   0.00013  -3.12072
   D158       0.01472  -0.00000  -0.00067   0.00077   0.00010   0.01481
   D159       0.00098   0.00000   0.00033  -0.00054  -0.00021   0.00076
   D160       3.10288   0.00000   0.00055  -0.00076  -0.00021   3.10266
   D161      -3.12750   0.00000   0.00061  -0.00086  -0.00025  -3.12775
   D162      -0.02560   0.00000   0.00083  -0.00109  -0.00025  -0.02585
   D163      -3.11626  -0.00000  -0.00008   0.00020   0.00012  -3.11613
   D164       0.01887   0.00000   0.00043  -0.00042   0.00001   0.01888
   D165       0.00804  -0.00000  -0.00046   0.00063   0.00017   0.00821
   D166      -3.14002   0.00000   0.00005   0.00001   0.00006  -3.13996
   D167       3.11701   0.00000  -0.00027   0.00040   0.00012   3.11713
   D168      -0.00989  -0.00001  -0.00114   0.00150   0.00036  -0.00953
   D169       0.02415   0.00000  -0.00055   0.00067   0.00012   0.02428
   D170      -3.10274  -0.00001  -0.00141   0.00178   0.00036  -3.10238
   D171       0.00049  -0.00000  -0.00019   0.00021   0.00001   0.00050
   D172       3.12820  -0.00001   0.00082  -0.00142  -0.00060   3.12760
   D173      -3.10395   0.00000  -0.00158   0.00239   0.00081  -3.10314
   D174       0.02376   0.00000  -0.00057   0.00076   0.00020   0.02396
   D175      -3.11884   0.00001  -0.00106   0.00175   0.00068  -3.11815
   D176       0.01137   0.00001  -0.00070   0.00130   0.00061   0.01198
   D177      -0.02284  -0.00000   0.00065  -0.00094  -0.00029  -0.02314
   D178       3.10737  -0.00000   0.00102  -0.00139  -0.00037   3.10700
   D179       0.00164  -0.00000   0.00010  -0.00017  -0.00008   0.00156
   D180      -3.13012   0.00000  -0.00051   0.00085   0.00034  -3.12979
   D181      -3.12333   0.00001  -0.00111   0.00176   0.00065  -3.12268
   D182       0.02809   0.00001  -0.00172   0.00278   0.00106   0.02916
   D183      -0.00730   0.00000   0.00003   0.00001   0.00004  -0.00726
   D184       3.14097   0.00000   0.00002   0.00005   0.00006   3.14103
   D185       3.11600  -0.00000   0.00136  -0.00212  -0.00076   3.11525
   D186      -0.01891  -0.00000   0.00135  -0.00208  -0.00074  -0.01965
   D187      -0.00318   0.00000   0.00004   0.00008   0.00011  -0.00306
   D188      -3.11226   0.00000  -0.00095   0.00150   0.00056  -3.11170
   D189       3.13021   0.00000   0.00055  -0.00078  -0.00023   3.12998
   D190       0.02113  -0.00000  -0.00044   0.00064   0.00021   0.02134
   D191       3.12639  -0.00000   0.00061  -0.00102  -0.00042   3.12598
   D192      -0.01216  -0.00000   0.00056  -0.00098  -0.00042  -0.01258
   D193      -0.00439   0.00000  -0.00007   0.00011   0.00004  -0.00435
   D194       3.14025   0.00000  -0.00011   0.00014   0.00003   3.14028
   D195      -3.12463  -0.00000  -0.00058   0.00082   0.00024  -3.12439
   D196       0.01033  -0.00000  -0.00046   0.00057   0.00011   0.01043
   D197      -0.02300   0.00000   0.00064  -0.00094  -0.00030  -0.02330
   D198       3.11196  -0.00000   0.00076  -0.00120  -0.00044   3.11152
   D199       0.00293  -0.00000   0.00010  -0.00045  -0.00035   0.00259
   D200      -3.13018   0.00000  -0.00023   0.00022  -0.00002  -3.13019
   D201       3.11804  -0.00000   0.00048  -0.00096  -0.00048   3.11756
   D202      -0.01507  -0.00000   0.00015  -0.00030  -0.00015  -0.01522
   D203       3.12328  -0.00000   0.00022  -0.00020   0.00002   3.12331
   D204      -0.01488   0.00000   0.00011   0.00006   0.00017  -0.01470
   D205       0.01415   0.00000  -0.00025   0.00044   0.00019   0.01434
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   D208       3.12804  -0.00000   0.00097  -0.00153  -0.00056   3.12748
   D209       3.12964  -0.00000   0.00036  -0.00070  -0.00035   3.12930
   D210      -0.02374  -0.00001   0.00137  -0.00233  -0.00096  -0.02470
   D211       0.00504  -0.00000   0.00009  -0.00014  -0.00005   0.00500
   D212      -3.14058  -0.00000   0.00012  -0.00014  -0.00003  -3.14060
   D213      -3.12534   0.00000  -0.00034   0.00074   0.00039  -3.12495
   D214       0.01222   0.00000  -0.00032   0.00073   0.00041   0.01264
   D215      -0.00005   0.00000  -0.00003   0.00029   0.00026   0.00021
   D216       3.11419  -0.00000   0.00094  -0.00154  -0.00060   3.11359
   D217      -3.13184   0.00000  -0.00087   0.00165   0.00077  -3.13106
   D218      -0.01759  -0.00000   0.00009  -0.00018  -0.00009  -0.01768
   D219      -3.12315   0.00000  -0.00087   0.00144   0.00056  -3.12258
   D220       0.01321   0.00000  -0.00095   0.00160   0.00064   0.01385
   D221       0.00548   0.00000   0.00024  -0.00035  -0.00011   0.00537
   D222      -3.14135   0.00000   0.00016  -0.00019  -0.00003  -3.14138
   D223       3.12495  -0.00001   0.00087  -0.00170  -0.00083   3.12412
   D224      -0.00810  -0.00001   0.00079  -0.00161  -0.00082  -0.00892
   D225       0.01686   0.00000  -0.00032   0.00055   0.00023   0.01709
   D226      -3.11619   0.00000  -0.00040   0.00064   0.00025  -3.11594
   D227       0.00982  -0.00000  -0.00018   0.00020   0.00002   0.00984
   D228      -3.14065   0.00000   0.00001  -0.00005  -0.00004  -3.14069
   D229      -3.12530  -0.00001  -0.00068   0.00082   0.00014  -3.12516
   D230       0.00742  -0.00000  -0.00050   0.00057   0.00007   0.00749
   D231      -0.01110   0.00000   0.00046  -0.00061  -0.00015  -0.01125
   D232       3.12165   0.00001   0.00103  -0.00125  -0.00022   3.12143
   D233       3.13935   0.00000   0.00028  -0.00037  -0.00009   3.13926
   D234      -0.01109   0.00000   0.00084  -0.00100  -0.00016  -0.01125
   D235      -0.00589  -0.00000  -0.00009   0.00017   0.00008  -0.00582
   D236       3.12109   0.00000   0.00076  -0.00092  -0.00016   3.12092
   D237      -3.13868  -0.00001  -0.00066   0.00080   0.00015  -3.13853
   D238      -0.01170   0.00000   0.00020  -0.00029  -0.00009  -0.01179
   D239      -0.00567  -0.00000   0.00005  -0.00011  -0.00006  -0.00573
   D240       3.14122   0.00000   0.00017  -0.00016   0.00002   3.14123
   D241       3.12531  -0.00000  -0.00023   0.00012  -0.00011   3.12521
   D242      -0.01098   0.00000  -0.00010   0.00007  -0.00003  -0.01101
   D243      -0.00834   0.00000   0.00007  -0.00014  -0.00007  -0.00841
   D244       3.14041   0.00000   0.00006  -0.00004   0.00002   3.14043
   D245       3.12793  -0.00000  -0.00006  -0.00009  -0.00015   3.12778
   D246      -0.00650  -0.00000  -0.00006   0.00001  -0.00006  -0.00656
   D247       0.00783   0.00000  -0.00001   0.00012   0.00011   0.00794
   D248      -3.12773   0.00000   0.00013   0.00002   0.00014  -3.12758
   D249      -3.14094   0.00000  -0.00001   0.00003   0.00002  -3.14092
   D250       0.00669   0.00000   0.00013  -0.00008   0.00005   0.00674
   D251      -0.00953  -0.00000   0.00034  -0.00053  -0.00019  -0.00971
   D252       3.13588   0.00000   0.00014  -0.00022  -0.00008   3.13579
   D253       3.12902  -0.00000   0.00039  -0.00057  -0.00018   3.12884
   D254      -0.00876   0.00000   0.00019  -0.00026  -0.00008  -0.00884
   D255       0.00740   0.00000  -0.00013   0.00021   0.00009   0.00749
   D256      -3.13733   0.00000   0.00040  -0.00025   0.00015  -3.13717
   D257      -3.13799  -0.00000   0.00008  -0.00009  -0.00001  -3.13800
   D258       0.00047   0.00000   0.00061  -0.00056   0.00005   0.00052
   D259       0.00882  -0.00000  -0.00036   0.00052   0.00016   0.00897
   D260      -3.12620   0.00000  -0.00048   0.00077   0.00029  -3.12591
   D261      -3.12966  -0.00000  -0.00089   0.00098   0.00009  -3.12957
   D262       0.01851  -0.00000  -0.00100   0.00123   0.00023   0.01873
   D263       0.00619   0.00000  -0.00022   0.00038   0.00016   0.00636
   D264      -3.14032   0.00000  -0.00013   0.00020   0.00007  -3.14025
   D265      -3.12409   0.00000  -0.00058   0.00082   0.00024  -3.12385
   D266       0.01259  -0.00000  -0.00049   0.00063   0.00015   0.01273
   D267       0.00971  -0.00000  -0.00031   0.00038   0.00007   0.00978
   D268      -3.13970   0.00000   0.00018  -0.00023  -0.00006  -3.13976
   D269      -3.12694   0.00000  -0.00040   0.00057   0.00017  -3.12678
   D270       0.00683   0.00000   0.00008  -0.00005   0.00003   0.00687
   D271      -0.00898  -0.00000   0.00040  -0.00058  -0.00018  -0.00916
   D272       3.12592  -0.00000   0.00042  -0.00061  -0.00020   3.12572
   D273       3.14045  -0.00000  -0.00009   0.00004  -0.00005   3.14040
   D274      -0.00784  -0.00000  -0.00007   0.00001  -0.00006  -0.00790
   D275       0.00654  -0.00000  -0.00035   0.00051   0.00016   0.00670
   D276      -3.14090   0.00000   0.00007   0.00003   0.00011  -3.14080
   D277      -3.12980  -0.00000  -0.00027   0.00035   0.00008  -3.12972
   D278       0.00594   0.00000   0.00015  -0.00012   0.00003   0.00597
   D279      -0.00714   0.00000   0.00012  -0.00013  -0.00001  -0.00715
   D280       3.13017   0.00000   0.00025  -0.00031  -0.00005   3.13011
   D281       3.14029  -0.00000  -0.00030   0.00034   0.00004   3.14033
   D282      -0.00559  -0.00000  -0.00017   0.00016  -0.00000  -0.00559
   D283      -0.00454  -0.00000   0.00022  -0.00040  -0.00018  -0.00473
   D284       3.12853  -0.00000   0.00029  -0.00049  -0.00019   3.12834
   D285       3.14131  -0.00000   0.00008  -0.00022  -0.00014   3.14117
   D286      -0.00879  -0.00000   0.00016  -0.00031  -0.00015  -0.00894
   D287      -0.00365   0.00000   0.00011  -0.00015  -0.00004  -0.00369
   D288       3.13936   0.00000   0.00017  -0.00015   0.00002   3.13938
   D289       3.13452  -0.00000   0.00022  -0.00042  -0.00019   3.13433
   D290      -0.00565  -0.00000   0.00028  -0.00042  -0.00013  -0.00578
   D291      -0.00601  -0.00000   0.00013  -0.00028  -0.00015  -0.00616
   D292       3.13889  -0.00000  -0.00016   0.00011  -0.00005   3.13884
   D293       3.13416  -0.00000   0.00007  -0.00028  -0.00022   3.13394
   D294      -0.00413  -0.00000  -0.00022   0.00011  -0.00011  -0.00424
   D295       0.00519   0.00000  -0.00023   0.00042   0.00020   0.00539
   D296      -3.13236   0.00000  -0.00025   0.00043   0.00018  -3.13219
   D297      -3.13971   0.00000   0.00006   0.00003   0.00009  -3.13962
   D298       0.00592   0.00000   0.00004   0.00003   0.00007   0.00599
   D299       1.80544  -0.00088   0.00659  -0.01733  -0.01074   1.79471
   D300      -0.44896   0.00011   0.00651  -0.01805  -0.01153  -0.46049
   D301      -2.69115  -0.00046   0.00635  -0.01662  -0.01027  -2.70142
   D302       3.09422  -0.00026   0.00309   0.00248   0.00557   3.09979
   D303      -1.02258  -0.00011   0.00495   0.00051   0.00546  -1.01712
   D304       1.20970   0.00041   0.00655  -0.00162   0.00493   1.21463
   D305      -2.29235   0.00041  -0.02212   0.02195  -0.00017  -2.29252
   D306      -0.15778   0.00066  -0.02341   0.02301  -0.00039  -0.15817
   D307       1.88904   0.00031  -0.02253   0.02276   0.00023   1.88926
   D308       1.46561   0.00044   0.05336   0.01349   0.06685   1.53246
   D309      -2.71128   0.00026   0.05378   0.01298   0.06677  -2.64451
   D310      -0.70202   0.00037   0.05636   0.01440   0.07076  -0.63126
   D311      -3.07198  -0.00048  -0.00025   0.00222   0.00196  -3.07001
   D312      -0.98434  -0.00049   0.00003   0.00183   0.00186  -0.98247
   D313       1.13220  -0.00048  -0.00093   0.00288   0.00195   1.13415
   D314       1.10687   0.00045  -0.00003   0.00123   0.00120   1.10807
   D315      -3.08867   0.00044   0.00026   0.00084   0.00109  -3.08758
   D316      -0.97214   0.00045  -0.00071   0.00189   0.00118  -0.97095
   D317      -1.03792   0.00007   0.00169  -0.00018   0.00151  -1.03641
   D318       1.04972   0.00007   0.00198  -0.00057   0.00141   1.05113
   D319      -3.11693   0.00007   0.00101   0.00049   0.00150  -3.11543
   D320      -0.95621   0.00070   0.02627  -0.01746   0.00880  -0.94741
   D321       1.14542   0.00060   0.02481  -0.01579   0.00903   1.15445
   D322      -2.96550   0.00081   0.02343  -0.01495   0.00848  -2.95702
   D323       3.09608  -0.00004  -0.00585   0.00460  -0.00124   3.09484
   D324      -1.09132  -0.00002  -0.00702   0.00442  -0.00260  -1.09391
   D325       1.01801  -0.00001  -0.00709   0.00458  -0.00250   1.01551
   D326       1.06697  -0.00006  -0.00733   0.00446  -0.00287   1.06411
   D327      -3.12042  -0.00004  -0.00850   0.00428  -0.00422  -3.12464
   D328      -1.01109  -0.00003  -0.00857   0.00444  -0.00412  -1.01522
   D329      -1.04907   0.00003  -0.00671   0.00413  -0.00258  -1.05165
   D330       1.04672   0.00005  -0.00789   0.00396  -0.00393   1.04279
   D331      -3.12714   0.00006  -0.00795   0.00412  -0.00384  -3.13097
         Item               Value     Threshold  Converged?
 Maximum Force            0.002460     0.000450     NO 
 RMS     Force            0.000181     0.000300     YES
 Maximum Displacement     0.258984     0.001800     NO 
 RMS     Displacement     0.021140     0.001200     NO 
 Predicted change in Energy=-3.031075D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.591041    3.247075    0.120140
      2          6           0       -2.751533    1.866667    0.260519
      3          6           0       -1.649180    1.004955    0.207402
      4          6           0       -0.357770    1.556055    0.076618
      5          6           0       -0.204653    2.939863   -0.082919
      6          6           0       -1.306797    3.781588   -0.075436
      7          6           0       -1.786460   -0.463308    0.164875
      8          6           0       -0.655485   -1.289135    0.381514
      9          6           0        0.630096   -0.648006    0.809708
     10          6           0        0.825724    0.685282    0.145720
     11          6           0       -2.994480   -1.051447   -0.227965
     12          6           0       -3.091592   -2.423297   -0.466179
     13          6           0       -1.947058   -3.219655   -0.346459
     14          6           0       -0.750883   -2.651601    0.070035
     15          7           0        1.787408   -1.470974    0.893273
     16          6           0        3.038408   -0.962984    0.430717
     17          6           0        3.079987    0.323001   -0.156500
     18          7           0        1.959934    1.124469   -0.279923
     19          6           0        4.232978   -1.699370    0.481436
     20          6           0        5.421155   -1.170027   -0.006126
     21          6           0        5.461553    0.104664   -0.591015
     22          6           0        4.282654    0.834881   -0.668767
     23          7           0       -3.720341    4.099336    0.166296
     24          7           0       -4.322098   -2.991166   -0.874168
     25          7           0        6.679899    0.631843   -1.089270
     26          6           0       -4.952746   -4.089330   -0.271195
     27          6           0       -6.170584   -4.347801   -0.948415
     28          6           0       -6.280280   -3.366797   -2.008356
     29          6           0       -5.125898   -2.547001   -1.933708
     30          6           0       -3.850795    5.247526    0.962360
     31          6           0       -5.123162    5.826451    0.728262
     32          6           0       -5.792300    4.994327   -0.249944
     33          6           0       -4.902573    3.939119   -0.572676
     34          6           0        7.255318    1.855339   -0.722234
     35          6           0        8.474525    2.019560   -1.427325
     36          6           0        8.641117    0.845802   -2.258961
     37          6           0        7.517528    0.012765   -2.025084
     38          6           0       -7.232909   -3.128284   -3.005346
     39          6           0       -7.021969   -2.093959   -3.912206
     40          6           0       -5.862148   -1.304692   -3.837783
     41          6           0       -4.898603   -1.519949   -2.854242
     42          6           0       -4.557537   -4.839564    0.839438
     43          6           0       -5.393725   -5.875689    1.249716
     44          6           0       -6.596246   -6.157251    0.579711
     45          6           0       -6.991776   -5.395069   -0.515258
     46          6           0       -7.042709    5.059994   -0.874917
     47          6           0       -7.386829    4.086947   -1.808351
     48          6           0       -6.487346    3.057097   -2.129802
     49          6           0       -5.235685    2.970928   -1.524062
     50          6           0       -2.963694    5.787455    1.897638
     51          6           0       -3.359475    6.937077    2.578007
     52          6           0       -4.608955    7.534713    2.343392
     53          6           0       -5.495871    6.981445    1.424991
     54          6           0        9.620165    0.441751   -3.173850
     55          6           0        9.466315   -0.769678   -3.841314
     56          6           0        8.339387   -1.575902   -3.608213
     57          6           0        7.350228   -1.197980   -2.702803
     58          6           0        6.807216    2.807065    0.197561
     59          6           0        7.592900    3.941217    0.390252
     60          6           0        8.797562    4.126319   -0.309121
     61          6           0        9.244213    3.169193   -1.215042
     62          8           0        0.465023   -3.069128    2.688167
     63         15           0        1.769183   -2.799712    2.055520
     64          8           0        2.989530   -2.515233    3.052444
     65          8           0        2.368352   -3.950683    1.104239
     66          6           0        2.770227   -1.965902    4.396538
     67          6           0        3.719516   -0.805163    4.610208
     68          6           0        2.600000   -5.282912    1.657115
     69          6           0        1.359436   -6.151448    1.549231
     70          1           0       -3.746424    1.475857    0.434928
     71          1           0        0.795711    3.337221   -0.209218
     72          1           0       -1.185605    4.849778   -0.215991
     73          1           0       -3.871486   -0.436724   -0.386454
     74          1           0       -1.991968   -4.271117   -0.606468
     75          1           0        0.127507   -3.279704    0.096500
     76          1           0        4.250163   -2.690727    0.904944
     77          1           0        6.333332   -1.751654    0.070133
     78          1           0        4.253405    1.814464   -1.131292
     79          1           0       -8.122557   -3.747770   -3.072953
     80          1           0       -7.754329   -1.898918   -4.689386
     81          1           0       -5.705548   -0.513949   -4.565725
     82          1           0       -3.997993   -0.917393   -2.817357
     83          1           0       -3.638865   -4.620119    1.371930
     84          1           0       -5.108716   -6.473800    2.110139
     85          1           0       -7.223984   -6.972768    0.925191
     86          1           0       -7.927870   -5.605238   -1.024572
     87          1           0       -7.733733    5.863056   -0.635124
     88          1           0       -8.356059    4.124117   -2.295846
     89          1           0       -6.769048    2.307536   -2.863326
     90          1           0       -4.545383    2.179336   -1.791883
     91          1           0       -2.003807    5.325679    2.098767
     92          1           0       -2.685945    7.375171    3.308551
     93          1           0       -4.885615    8.431176    2.889544
     94          1           0       -6.467888    7.435244    1.254385
     95          1           0       10.486398    1.069255   -3.363160
     96          1           0       10.219468   -1.094038   -4.552701
     97          1           0        8.232111   -2.512826   -4.146899
     98          1           0        6.477669   -1.820416   -2.537975
     99          1           0        5.882365    2.669271    0.746484
    100          1           0        7.264706    4.696312    1.098424
    101          1           0        9.384684    5.023084   -0.137160
    102          1           0       10.179971    3.309256   -1.748653
    103          1           0        1.727456   -1.660539    4.491840
    104          1           0        2.968157   -2.788345    5.089628
    105          1           0        3.614471   -0.435818    5.635616
    106          1           0        4.758462   -1.111249    4.458606
    107          1           0        3.486337    0.013901    3.925665
    108          1           0        3.425560   -5.684024    1.064523
    109          1           0        2.940901   -5.186930    2.692875
    110          1           0        1.581397   -7.154783    1.927869
    111          1           0        0.538862   -5.728427    2.132785
    112          1           0        1.042507   -6.242779    0.506361
    113         17           0        0.311284    0.109665    2.767189
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351571           0.0181574           0.0142615
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10694.0079660149 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000344    0.000014   -0.000242 Ang=   0.05 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48648048     A.U. after   10 cycles
            NFock= 10  Conv=0.95D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000056648   -0.000020235   -0.000006991
      2        6          -0.000047952    0.000019045    0.000074065
      3        6          -0.000017783   -0.000118433   -0.000000891
      4        6          -0.000055734    0.000117660   -0.000087387
      5        6           0.000053469   -0.000010256    0.000014388
      6        6          -0.000033703    0.000039661   -0.000009242
      7        6           0.000024435    0.000056413   -0.000003844
      8        6           0.000137800    0.000135559    0.000092577
      9        6          -0.000112708   -0.000232118   -0.000026741
     10        6           0.000149443   -0.000114636   -0.000039253
     11        6          -0.000015494   -0.000041790   -0.000021336
     12        6          -0.000021005    0.000020411    0.000003704
     13        6           0.000039431   -0.000004159   -0.000025718
     14        6           0.000000420   -0.000029190   -0.000012253
     15        7          -0.000266859    0.000104411    0.000163361
     16        6           0.000017407    0.000051350    0.000009678
     17        6           0.000264749   -0.000158785   -0.000007011
     18        7          -0.000197669    0.000180526    0.000064948
     19        6          -0.000076750   -0.000092660   -0.000029114
     20        6           0.000046808    0.000031545    0.000011559
     21        6          -0.000005266   -0.000061749    0.000021064
     22        6          -0.000115334    0.000011025    0.000012589
     23        7          -0.000065971    0.000023819    0.000010871
     24        7          -0.000009805   -0.000051508    0.000036010
     25        7          -0.000022449    0.000074955   -0.000018615
     26        6           0.000014804    0.000017344    0.000017077
     27        6          -0.000005607   -0.000001057    0.000002964
     28        6          -0.000012667    0.000013788    0.000001428
     29        6          -0.000005126    0.000014044   -0.000031269
     30        6           0.000011934    0.000012940    0.000027066
     31        6          -0.000010876   -0.000007713    0.000006805
     32        6          -0.000011232    0.000012926   -0.000008220
     33        6           0.000033901    0.000009326   -0.000032369
     34        6          -0.000018952   -0.000044958    0.000008095
     35        6           0.000023430    0.000015003    0.000003056
     36        6          -0.000000758    0.000002527   -0.000007878
     37        6           0.000021119   -0.000040117   -0.000015305
     38        6          -0.000006445   -0.000026301   -0.000011023
     39        6          -0.000004317    0.000009733   -0.000013609
     40        6          -0.000001914    0.000037409   -0.000028016
     41        6           0.000018213   -0.000018357   -0.000005089
     42        6           0.000010412   -0.000000096   -0.000003310
     43        6           0.000008078   -0.000017923    0.000009348
     44        6          -0.000002500   -0.000008048    0.000006100
     45        6          -0.000011155    0.000002697   -0.000017142
     46        6          -0.000013079    0.000011181    0.000012529
     47        6          -0.000020570   -0.000000860   -0.000008488
     48        6           0.000001024   -0.000023995   -0.000009896
     49        6           0.000016499   -0.000018830    0.000003342
     50        6           0.000021544   -0.000013801   -0.000002978
     51        6           0.000028756   -0.000006380   -0.000000215
     52        6          -0.000007007    0.000005978    0.000009723
     53        6          -0.000015113    0.000006069   -0.000002959
     54        6           0.000012936    0.000006103    0.000006272
     55        6           0.000015623    0.000010175   -0.000015992
     56        6          -0.000006029   -0.000019189   -0.000008218
     57        6          -0.000012770   -0.000001080    0.000009301
     58        6          -0.000011984   -0.000007655   -0.000007195
     59        6          -0.000003941    0.000014946    0.000010264
     60        6           0.000003667   -0.000000661    0.000009265
     61        6           0.000021082    0.000009113   -0.000022030
     62        8          -0.000048598    0.000042369    0.000071321
     63       15          -0.000010770   -0.000073372   -0.000128022
     64        8          -0.000206534    0.000018257    0.000400338
     65        8           0.000088377   -0.000136650   -0.000066461
     66        6           0.000284800    0.000227544   -0.000517758
     67        6           0.000023076    0.000080160    0.000025281
     68        6           0.000006324    0.000144699    0.000050514
     69        6           0.000022101   -0.000001785   -0.000089319
     70        1           0.000024403   -0.000000088   -0.000021015
     71        1           0.000000606    0.000013104   -0.000006285
     72        1          -0.000009541   -0.000009280    0.000008638
     73        1           0.000013114    0.000015540   -0.000019058
     74        1          -0.000012547    0.000002694    0.000012506
     75        1           0.000001088   -0.000005272    0.000004948
     76        1           0.000029032    0.000053112   -0.000015831
     77        1           0.000005162    0.000000370   -0.000014621
     78        1           0.000035522    0.000014646    0.000001662
     79        1          -0.000003920    0.000009135    0.000003451
     80        1          -0.000000721   -0.000001548   -0.000002199
     81        1          -0.000005914   -0.000018287    0.000023748
     82        1          -0.000000374    0.000012219    0.000011101
     83        1           0.000004939    0.000007877    0.000000755
     84        1           0.000001118    0.000007990   -0.000003696
     85        1           0.000000514    0.000000355   -0.000000156
     86        1          -0.000002425    0.000000009    0.000005135
     87        1           0.000014249   -0.000010646   -0.000005553
     88        1           0.000008936    0.000002143    0.000005801
     89        1           0.000005626    0.000013122    0.000003392
     90        1           0.000000805   -0.000001026    0.000004036
     91        1           0.000000541   -0.000000799   -0.000007222
     92        1          -0.000001687    0.000000000    0.000001209
     93        1          -0.000000589    0.000003269   -0.000003729
     94        1          -0.000000092   -0.000002610   -0.000000759
     95        1          -0.000002263   -0.000003540   -0.000002798
     96        1          -0.000003521   -0.000002672    0.000006852
     97        1          -0.000003857    0.000007503    0.000008048
     98        1           0.000003215    0.000003897   -0.000001141
     99        1          -0.000003924   -0.000002339    0.000006238
    100        1           0.000003603   -0.000002269   -0.000000397
    101        1           0.000002080    0.000008192    0.000000223
    102        1          -0.000009818    0.000000140    0.000008488
    103        1          -0.000095135   -0.000377914    0.000209913
    104        1          -0.000019585    0.000004938    0.000030754
    105        1           0.000013321    0.000001357    0.000017390
    106        1          -0.000039021    0.000006167   -0.000007329
    107        1           0.000002639   -0.000006237    0.000002604
    108        1           0.000024085   -0.000008620   -0.000000419
    109        1          -0.000031178   -0.000036141   -0.000033857
    110        1          -0.000024796   -0.000004188    0.000003584
    111        1           0.000012009    0.000029062    0.000051172
    112        1           0.000000760   -0.000003111   -0.000000442
    113       17           0.000097655    0.000093382   -0.000148886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000517758 RMS     0.000067449

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001004816 RMS     0.000052385
 Search for a local minimum.
 Step number  36 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
                                                     34   35   36
 DE= -3.46D-05 DEPred=-3.03D-05 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 1.24D-01 DXNew= 1.0744D+00 3.7299D-01
 Trust test= 1.14D+00 RLast= 1.24D-01 DXMaxT set to 6.39D-01
 ITU=  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1
 ITU=  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00274   0.00370   0.00446   0.00638   0.00901
     Eigenvalues ---    0.01103   0.01602   0.01683   0.01931   0.02434
     Eigenvalues ---    0.02485   0.02539   0.02550   0.02562   0.02586
     Eigenvalues ---    0.02604   0.02636   0.02660   0.02679   0.02683
     Eigenvalues ---    0.02698   0.02702   0.02709   0.02715   0.02734
     Eigenvalues ---    0.02754   0.02766   0.02777   0.02794   0.02795
     Eigenvalues ---    0.02802   0.02810   0.02812   0.02813   0.02825
     Eigenvalues ---    0.02833   0.02845   0.02859   0.02860   0.02867
     Eigenvalues ---    0.02875   0.02879   0.02886   0.02896   0.02900
     Eigenvalues ---    0.02902   0.02907   0.02909   0.02915   0.02917
     Eigenvalues ---    0.02920   0.02929   0.02935   0.02945   0.02947
     Eigenvalues ---    0.02950   0.02950   0.02953   0.02956   0.02958
     Eigenvalues ---    0.02961   0.02965   0.02966   0.02972   0.02977
     Eigenvalues ---    0.02989   0.02991   0.02992   0.02999   0.03002
     Eigenvalues ---    0.03019   0.03025   0.03033   0.03047   0.03054
     Eigenvalues ---    0.03059   0.03064   0.03070   0.03085   0.03093
     Eigenvalues ---    0.03100   0.03109   0.03119   0.03130   0.03142
     Eigenvalues ---    0.03161   0.03175   0.03176   0.03184   0.03196
     Eigenvalues ---    0.03225   0.03244   0.03251   0.03276   0.03316
     Eigenvalues ---    0.03463   0.03522   0.03853   0.05084   0.05141
     Eigenvalues ---    0.05449   0.05737   0.05772   0.05911   0.05927
     Eigenvalues ---    0.06151   0.06203   0.06969   0.08061   0.10597
     Eigenvalues ---    0.11804   0.12054   0.13556   0.13905   0.14179
     Eigenvalues ---    0.15195   0.15876   0.15908   0.15962   0.15986
     Eigenvalues ---    0.15992   0.15994   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16006   0.16010   0.16011   0.16020   0.16043
     Eigenvalues ---    0.16065   0.16100   0.16114   0.16174   0.18065
     Eigenvalues ---    0.19548   0.20420   0.21336   0.21995   0.21998
     Eigenvalues ---    0.21999   0.22000   0.22002   0.22139   0.22307
     Eigenvalues ---    0.22344   0.22453   0.22548   0.22586   0.22600
     Eigenvalues ---    0.22610   0.22615   0.22657   0.22708   0.22892
     Eigenvalues ---    0.23298   0.23455   0.23481   0.23761   0.24128
     Eigenvalues ---    0.24405   0.24449   0.24482   0.24492   0.24525
     Eigenvalues ---    0.24544   0.24588   0.24714   0.24815   0.24893
     Eigenvalues ---    0.24915   0.24966   0.24976   0.24978   0.24986
     Eigenvalues ---    0.24988   0.24989   0.24997   0.25044   0.25150
     Eigenvalues ---    0.25212   0.25845   0.26093   0.26532   0.27133
     Eigenvalues ---    0.27227   0.28145   0.28743   0.28846   0.29099
     Eigenvalues ---    0.29256   0.29332   0.29656   0.29847   0.30225
     Eigenvalues ---    0.30488   0.30659   0.30726   0.30849   0.30952
     Eigenvalues ---    0.31131   0.31179   0.31270   0.31407   0.31522
     Eigenvalues ---    0.31605   0.31701   0.32136   0.32232   0.32542
     Eigenvalues ---    0.33139   0.33421   0.33579   0.33964   0.34043
     Eigenvalues ---    0.34232   0.34496   0.34669   0.34937   0.35144
     Eigenvalues ---    0.35161   0.35449   0.35546   0.35827   0.35976
     Eigenvalues ---    0.36391   0.36779   0.37174   0.37309   0.39030
     Eigenvalues ---    0.39870   0.41445   0.41560   0.42061   0.42749
     Eigenvalues ---    0.43387   0.43449   0.43859   0.45274   0.45802
     Eigenvalues ---    0.47074   0.47097   0.47127   0.47215   0.47661
     Eigenvalues ---    0.47829   0.49596   0.49889   0.50115   0.50457
     Eigenvalues ---    0.50605   0.51133   0.51681   0.52041   0.52081
     Eigenvalues ---    0.52256   0.52642   0.53087   0.53173   0.53381
     Eigenvalues ---    0.53720   0.53953   0.54308   0.54348   0.55026
     Eigenvalues ---    0.55298   0.55619   0.55701   0.55914   0.56069
     Eigenvalues ---    0.56182   0.56267   0.56462   0.56678   0.56783
     Eigenvalues ---    0.56934   0.57204   0.57356   0.57903   0.58233
     Eigenvalues ---    0.58286   0.58312   0.58326   0.58507   0.58659
     Eigenvalues ---    0.58921   0.59097   0.59448   0.59711   0.59807
     Eigenvalues ---    0.60062   0.60606   0.60881   0.61382   0.61998
     Eigenvalues ---    0.63255   0.63494   0.64216   0.65132   0.65273
     Eigenvalues ---    0.65881   0.66757   0.67800   0.68867   0.72068
     Eigenvalues ---    0.73108   0.74577   0.78246   0.80372   0.81072
     Eigenvalues ---    0.85555   1.04086   5.14215
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    36   35   34   33   32   31   30   29   28   27
 RFO step:  Lambda=-1.21164846D-05.
 DidBck=T Rises=F RFO-DIIS coefs:    0.56411    0.36362    1.41761   -1.05205   -0.86705
                  RFO-DIIS coefs:    0.55351    0.50508   -0.61033    0.15310   -0.02759
 Iteration  1 RMS(Cart)=  0.00757897 RMS(Int)=  0.00006201
 Iteration  2 RMS(Cart)=  0.00009704 RMS(Int)=  0.00000264
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000264
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63953   0.00001   0.00005  -0.00005   0.00000   2.63953
    R2        2.65453  -0.00001   0.00001   0.00002   0.00003   2.65456
    R3        2.67501   0.00001  -0.00008   0.00006  -0.00002   2.67499
    R4        2.64599   0.00001  -0.00000   0.00005   0.00004   2.64603
    R5        2.04664  -0.00002  -0.00014   0.00008  -0.00006   2.04658
    R6        2.66482   0.00004   0.00004  -0.00001   0.00002   2.66484
    R7        2.78787  -0.00003  -0.00021   0.00007  -0.00014   2.78773
    R8        2.64819   0.00001   0.00006  -0.00002   0.00004   2.64823
    R9        2.77968   0.00005  -0.00021   0.00024   0.00002   2.77971
   R10        2.62072   0.00003   0.00005  -0.00002   0.00003   2.62075
   R11        2.04804   0.00001   0.00005  -0.00003   0.00002   2.04806
   R12        2.04883  -0.00001  -0.00006   0.00003  -0.00003   2.04880
   R13        2.67783   0.00000   0.00002  -0.00003  -0.00000   2.67783
   R14        2.64531   0.00003   0.00000   0.00004   0.00005   2.64536
   R15        2.83277  -0.00018   0.00017  -0.00023  -0.00005   2.83272
   R16        2.64726   0.00004   0.00008  -0.00003   0.00006   2.64732
   R17        2.83887   0.00004   0.00005   0.00003   0.00008   2.83895
   R18        2.68822  -0.00012   0.00033  -0.00016   0.00017   2.68839
   R19        2.43510  -0.00004  -0.00002   0.00003   0.00001   2.43511
   R20        2.63761  -0.00000  -0.00000  -0.00002  -0.00002   2.63759
   R21        2.04592  -0.00000  -0.00004   0.00003  -0.00001   2.04591
   R22        2.64459   0.00002   0.00009  -0.00001   0.00008   2.64467
   R23        2.67453   0.00002   0.00005   0.00000   0.00006   2.67459
   R24        2.62324  -0.00000  -0.00002  -0.00000  -0.00002   2.62322
   R25        2.04858  -0.00001  -0.00005   0.00004  -0.00002   2.04857
   R26        2.04124   0.00000  -0.00008   0.00007  -0.00000   2.04123
   R27        2.69709   0.00006   0.00015   0.00005   0.00019   2.69729
   R28        3.33615  -0.00007  -0.00035   0.00030  -0.00005   3.33611
   R29        2.67268  -0.00005  -0.00002  -0.00002  -0.00004   2.67264
   R30        2.65359   0.00002  -0.00011   0.00007  -0.00004   2.65356
   R31        2.61309   0.00016   0.00002   0.00016   0.00018   2.61327
   R32        2.65293  -0.00006  -0.00026   0.00010  -0.00015   2.65277
   R33        2.62508   0.00005   0.00028  -0.00013   0.00015   2.62523
   R34        2.03744  -0.00005  -0.00041   0.00023  -0.00018   2.03726
   R35        2.65139  -0.00002  -0.00024   0.00011  -0.00013   2.65126
   R36        2.04944   0.00000  -0.00002   0.00002  -0.00000   2.04944
   R37        2.62465   0.00000   0.00005  -0.00001   0.00004   2.62469
   R38        2.67951   0.00003   0.00022  -0.00007   0.00015   2.67966
   R39        2.04786   0.00001   0.00003  -0.00002   0.00002   2.04788
   R40        2.65173  -0.00002   0.00006  -0.00001   0.00005   2.65179
   R41        2.65197  -0.00004   0.00001   0.00001   0.00002   2.65198
   R42        2.65051  -0.00003  -0.00005   0.00002  -0.00003   2.65048
   R43        2.64966   0.00003   0.00001   0.00004   0.00005   2.64971
   R44        2.64748  -0.00002  -0.00010   0.00003  -0.00007   2.64741
   R45        2.64604   0.00003  -0.00001   0.00002   0.00002   2.64606
   R46        2.67819   0.00002   0.00002   0.00002   0.00004   2.67823
   R47        2.64058  -0.00000  -0.00002   0.00002  -0.00000   2.64058
   R48        2.73709   0.00003   0.00005   0.00001   0.00006   2.73715
   R49        2.64478   0.00001  -0.00003   0.00004   0.00001   2.64479
   R50        2.67931   0.00001  -0.00001   0.00002   0.00001   2.67931
   R51        2.64452   0.00002   0.00003   0.00000   0.00003   2.64456
   R52        2.64148   0.00000   0.00004  -0.00002   0.00002   2.64151
   R53        2.67840   0.00001  -0.00002   0.00003   0.00001   2.67841
   R54        2.64103  -0.00001   0.00000   0.00001   0.00001   2.64104
   R55        2.73656   0.00003   0.00011  -0.00004   0.00008   2.73663
   R56        2.64451   0.00001  -0.00002   0.00003   0.00001   2.64451
   R57        2.67864   0.00001  -0.00001   0.00003   0.00002   2.67865
   R58        2.64455   0.00000  -0.00005   0.00005  -0.00001   2.64455
   R59        2.64122   0.00000  -0.00002   0.00002   0.00000   2.64123
   R60        2.67954   0.00003   0.00006   0.00001   0.00007   2.67961
   R61        2.64062   0.00001   0.00003  -0.00000   0.00003   2.64064
   R62        2.73657   0.00002  -0.00002   0.00004   0.00003   2.73660
   R63        2.64504   0.00002   0.00000   0.00001   0.00001   2.64505
   R64        2.67988   0.00002   0.00008  -0.00004   0.00004   2.67992
   R65        2.64482   0.00001  -0.00001   0.00003   0.00002   2.64483
   R66        2.64102  -0.00001  -0.00000  -0.00000  -0.00001   2.64101
   R67        2.62986   0.00002  -0.00001   0.00004   0.00003   2.62989
   R68        2.05260  -0.00000  -0.00000  -0.00000  -0.00000   2.05260
   R69        2.65482   0.00001   0.00003   0.00000   0.00003   2.65485
   R70        2.05138   0.00000   0.00001  -0.00000   0.00000   2.05138
   R71        2.63351   0.00002  -0.00001   0.00003   0.00002   2.63353
   R72        2.05250  -0.00003  -0.00012   0.00006  -0.00006   2.05244
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    A5        2.06958   0.00002   0.00026  -0.00008   0.00018   2.06975
    A6        2.10278  -0.00001  -0.00029   0.00016  -0.00013   2.10265
    A7        2.07601  -0.00004  -0.00005   0.00003  -0.00002   2.07599
    A8        2.14162   0.00003  -0.00001   0.00007   0.00007   2.14169
    A9        2.06178   0.00001   0.00004  -0.00009  -0.00005   2.06173
   A10        2.09039   0.00004   0.00008   0.00001   0.00009   2.09048
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   A12        2.09671   0.00001   0.00005  -0.00000   0.00005   2.09676
   A13        2.10818  -0.00003   0.00001  -0.00007  -0.00006   2.10812
   A14        2.06709   0.00002   0.00017  -0.00007   0.00010   2.06719
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   A16        2.09021  -0.00001  -0.00007   0.00006  -0.00002   2.09019
   A17        2.08879  -0.00001   0.00010  -0.00012  -0.00002   2.08877
   A18        2.10418   0.00002  -0.00002   0.00006   0.00004   2.10422
   A19        2.09594   0.00001   0.00005  -0.00004   0.00001   2.09595
   A20        2.10197   0.00000  -0.00009   0.00010   0.00001   2.10197
   A21        2.07922  -0.00001   0.00006  -0.00007  -0.00000   2.07922
   A22        2.07019   0.00002  -0.00022   0.00021   0.00000   2.07019
   A23        2.06970  -0.00000   0.00000   0.00002   0.00001   2.06971
   A24        2.13872  -0.00002   0.00027  -0.00027  -0.00001   2.13871
   A25        1.94444   0.00002  -0.00025  -0.00009  -0.00033   1.94411
   A26        2.05675   0.00001   0.00014  -0.00035  -0.00022   2.05654
   A27        2.01913  -0.00004   0.00009  -0.00014  -0.00006   2.01907
   A28        2.02794  -0.00000   0.00003  -0.00003   0.00000   2.02794
   A29        2.08392  -0.00008  -0.00027   0.00010  -0.00018   2.08374
   A30        2.16893   0.00008   0.00031  -0.00008   0.00022   2.16916
   A31        2.11869   0.00001  -0.00005   0.00005  -0.00000   2.11868
   A32        2.09622  -0.00002  -0.00006  -0.00002  -0.00009   2.09613
   A33        2.06772   0.00001   0.00012  -0.00003   0.00009   2.06780
   A34        2.08036  -0.00001  -0.00003   0.00002  -0.00001   2.08035
   A35        2.09908   0.00001   0.00001  -0.00003  -0.00002   2.09906
   A36        2.10296  -0.00001   0.00001   0.00001   0.00002   2.10298
   A37        2.09156   0.00000   0.00007  -0.00006   0.00001   2.09156
   A38        2.09155  -0.00001  -0.00010   0.00001  -0.00009   2.09146
   A39        2.09968   0.00001   0.00005   0.00004   0.00009   2.09977
   A40        2.12162   0.00000  -0.00009   0.00006  -0.00002   2.12159
   A41        2.09985   0.00000  -0.00001  -0.00010  -0.00011   2.09974
   A42        2.06023  -0.00000   0.00010   0.00004   0.00014   2.06037
   A43        2.08076   0.00004  -0.00054   0.00036  -0.00017   2.08059
   A44        2.05522   0.00008  -0.00066   0.00051  -0.00014   2.05507
   A45        2.08323  -0.00013   0.00066  -0.00051   0.00015   2.08338
   A46        2.07597   0.00001   0.00032  -0.00019   0.00013   2.07610
   A47        2.14993   0.00001  -0.00034   0.00025  -0.00009   2.14984
   A48        2.05648  -0.00003  -0.00008  -0.00001  -0.00007   2.05641
   A49        2.14154  -0.00003   0.00005  -0.00005  -0.00000   2.14153
   A50        2.10392   0.00006   0.00002   0.00008   0.00011   2.10402
   A51        2.03756  -0.00003  -0.00006  -0.00003  -0.00010   2.03747
   A52        2.07821  -0.00006  -0.00030   0.00013  -0.00016   2.07805
   A53        2.11195  -0.00001   0.00014  -0.00009   0.00006   2.11201
   A54        2.10590   0.00004   0.00037  -0.00009   0.00028   2.10618
   A55        2.06532  -0.00003  -0.00052   0.00018  -0.00034   2.06498
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   A175       2.08522  -0.00000   0.00001  -0.00001   0.00001   2.08523
   A176       2.10435   0.00000  -0.00003   0.00004   0.00001   2.10435
   A177       2.08706  -0.00000   0.00003  -0.00003   0.00000   2.08706
   A178       2.09178  -0.00000   0.00000  -0.00001  -0.00001   2.09177
   A179       2.07966  -0.00000   0.00000  -0.00001  -0.00001   2.07965
   A180       2.10030   0.00001   0.00002  -0.00001   0.00001   2.10031
   A181       2.10322  -0.00000  -0.00002   0.00002  -0.00000   2.10322
   A182       2.01437  -0.00007  -0.00013   0.00045   0.00031   2.01468
   A183       1.84242  -0.00014   0.00045  -0.00062  -0.00018   1.84224
   A184       1.71664   0.00010  -0.00017   0.00004  -0.00012   1.71652
   A185       2.02579   0.00004  -0.00023  -0.00007  -0.00031   2.02549
   A186       2.04025   0.00008   0.00004   0.00035   0.00040   2.04065
   A187       1.78378  -0.00001   0.00012  -0.00026  -0.00015   1.78364
   A188       2.12057  -0.00003   0.00152  -0.00050   0.00102   2.12159
   A189       2.08020   0.00003   0.00243  -0.00140   0.00103   2.08122
   A190       1.89885   0.00016   0.00081  -0.00020   0.00060   1.89945
   A191       1.90442  -0.00027   0.00129  -0.00072   0.00057   1.90499
   A192       1.84598   0.00004  -0.00115   0.00075  -0.00040   1.84558
   A193       1.95229   0.00004  -0.00074   0.00050  -0.00024   1.95205
   A194       1.95357  -0.00004   0.00003  -0.00021  -0.00018   1.95339
   A195       1.90519   0.00006  -0.00023  -0.00012  -0.00033   1.90486
   A196       1.90762   0.00001  -0.00002  -0.00007  -0.00009   1.90753
   A197       1.94052  -0.00001   0.00001  -0.00008  -0.00006   1.94045
   A198       1.93087  -0.00000   0.00022  -0.00014   0.00008   1.93094
   A199       1.89163  -0.00000  -0.00003   0.00002  -0.00001   1.89162
   A200       1.88955   0.00000  -0.00018   0.00012  -0.00006   1.88949
   A201       1.90254  -0.00000  -0.00001   0.00015   0.00014   1.90268
   A202       1.94468  -0.00011   0.00209  -0.00060   0.00148   1.94616
   A203       1.82281   0.00004  -0.00265   0.00110  -0.00155   1.82126
   A204       1.90447   0.00007  -0.00026  -0.00033  -0.00061   1.90386
   A205       1.94859   0.00003  -0.00038   0.00052   0.00015   1.94875
   A206       1.95182  -0.00000   0.00046  -0.00018   0.00027   1.95209
   A207       1.88609  -0.00001   0.00054  -0.00044   0.00009   1.88619
   A208       1.91128   0.00004   0.00038  -0.00038   0.00000   1.91128
   A209       1.93304  -0.00008  -0.00111   0.00047  -0.00064   1.93240
   A210       1.93081   0.00001   0.00022  -0.00012   0.00011   1.93091
   A211       1.89906   0.00000  -0.00020   0.00026   0.00006   1.89912
   A212       1.88797  -0.00001  -0.00020   0.00004  -0.00017   1.88780
   A213       1.90083   0.00003   0.00093  -0.00028   0.00065   1.90149
   A214       2.20980  -0.00100  -0.00912  -0.00113  -0.01024   2.19956
    D1       -0.00147  -0.00001  -0.00050   0.00021  -0.00028  -0.00176
    D2        3.11563   0.00000  -0.00108   0.00084  -0.00024   3.11538
    D3        3.13276  -0.00001  -0.00095   0.00045  -0.00050   3.13226
    D4       -0.03333   0.00000  -0.00154   0.00108  -0.00046  -0.03378
    D5       -0.03748   0.00000   0.00061  -0.00035   0.00025  -0.03723
    D6        3.10768   0.00000  -0.00010   0.00017   0.00007   3.10775
    D7        3.11150   0.00000   0.00106  -0.00060   0.00046   3.11196
    D8       -0.02653   0.00001   0.00035  -0.00007   0.00028  -0.02624
    D9        2.26323  -0.00000   0.00147  -0.00048   0.00099   2.26422
   D10       -0.87482  -0.00000   0.00169  -0.00055   0.00114  -0.87369
   D11       -0.88577  -0.00000   0.00102  -0.00024   0.00078  -0.88499
   D12        2.25936  -0.00000   0.00123  -0.00031   0.00092   2.26028
   D13        0.05528   0.00000  -0.00027   0.00023  -0.00004   0.05525
   D14       -2.99124  -0.00000  -0.00008   0.00011   0.00003  -2.99121
   D15       -3.06135  -0.00001   0.00033  -0.00041  -0.00008  -3.06144
   D16        0.17531  -0.00001   0.00052  -0.00053  -0.00002   0.17530
   D17       -0.07054   0.00000   0.00092  -0.00054   0.00038  -0.07016
   D18        3.04090  -0.00001   0.00006  -0.00006  -0.00000   3.04090
   D19        2.98035   0.00001   0.00074  -0.00041   0.00033   2.98067
   D20       -0.19140  -0.00000  -0.00012   0.00006  -0.00006  -0.19145
   D21       -2.92031   0.00003  -0.00008   0.00038   0.00030  -2.92000
   D22        0.34038   0.00003  -0.00034   0.00050   0.00016   0.34055
   D23        0.31562   0.00003   0.00011   0.00025   0.00037   0.31599
   D24       -2.70687   0.00003  -0.00015   0.00037   0.00023  -2.70664
   D25        0.03267  -0.00001  -0.00082   0.00040  -0.00042   0.03224
   D26       -3.11220  -0.00000  -0.00046   0.00019  -0.00027  -3.11247
   D27       -3.07876   0.00001   0.00004  -0.00008  -0.00003  -3.07879
   D28        0.05956   0.00001   0.00041  -0.00029   0.00012   0.05968
   D29       -0.35433   0.00001  -0.00030  -0.00022  -0.00053  -0.35486
   D30        2.85838   0.00002  -0.00117  -0.00002  -0.00119   2.85719
   D31        2.75700  -0.00000  -0.00116   0.00025  -0.00091   2.75609
   D32       -0.31347   0.00000  -0.00203   0.00045  -0.00158  -0.31505
   D33        0.02179   0.00000   0.00005   0.00005   0.00010   0.02189
   D34       -3.12340   0.00000   0.00077  -0.00048   0.00028  -3.12312
   D35       -3.11645   0.00000  -0.00032   0.00027  -0.00005  -3.11651
   D36        0.02154  -0.00000   0.00039  -0.00026   0.00013   0.02167
   D37        0.12372  -0.00002   0.00029  -0.00034  -0.00005   0.12367
   D38       -2.91779  -0.00000  -0.00028   0.00021  -0.00007  -2.91786
   D39       -3.13542  -0.00002   0.00054  -0.00045   0.00009  -3.13534
   D40        0.10625  -0.00000  -0.00003   0.00010   0.00007   0.10632
   D41        2.97433   0.00000   0.00082  -0.00052   0.00030   2.97463
   D42       -0.13059   0.00001   0.00077  -0.00031   0.00046  -0.13013
   D43       -0.04930   0.00000   0.00056  -0.00040   0.00016  -0.04914
   D44        3.12897   0.00001   0.00051  -0.00019   0.00032   3.12929
   D45       -0.63977   0.00000  -0.00057   0.00017  -0.00041  -0.64018
   D46       -3.03424   0.00004  -0.00057   0.00090   0.00033  -3.03391
   D47        2.39755  -0.00001  -0.00000  -0.00039  -0.00039   2.39716
   D48        0.00309   0.00002   0.00000   0.00035   0.00035   0.00344
   D49       -0.08475  -0.00000  -0.00009  -0.00004  -0.00013  -0.08488
   D50        2.99709   0.00000  -0.00009   0.00003  -0.00006   2.99703
   D51       -3.12210   0.00001  -0.00066   0.00051  -0.00015  -3.12226
   D52       -0.04026   0.00001  -0.00065   0.00058  -0.00008  -0.04034
   D53        0.74983   0.00001   0.00064   0.00007   0.00072   0.75055
   D54       -2.46675  -0.00001   0.00153  -0.00013   0.00140  -2.46535
   D55       -3.12162  -0.00000   0.00067  -0.00074  -0.00008  -3.12169
   D56       -0.05502  -0.00002   0.00156  -0.00095   0.00061  -0.05441
   D57        2.42787  -0.00003   0.00135  -0.00140  -0.00005   2.42782
   D58       -1.09242  -0.00007  -0.00000  -0.00048  -0.00047  -1.09290
   D59        0.06452  -0.00002   0.00149  -0.00064   0.00084   0.06536
   D60        2.82742  -0.00006   0.00014   0.00027   0.00041   2.82783
   D61        3.09114   0.00003  -0.00161   0.00123  -0.00037   3.09077
   D62        0.02679   0.00004  -0.00254   0.00145  -0.00109   0.02571
   D63       -0.03245  -0.00000  -0.00095   0.00062  -0.00033  -0.03278
   D64       -3.13162  -0.00000  -0.00062   0.00041  -0.00022  -3.13184
   D65        3.07305  -0.00001  -0.00091   0.00042  -0.00049   3.07256
   D66       -0.02612  -0.00001  -0.00058   0.00020  -0.00037  -0.02650
   D67        0.05580   0.00000   0.00081  -0.00054   0.00026   0.05606
   D68       -3.05542  -0.00001  -0.00008  -0.00005  -0.00013  -3.05555
   D69       -3.12831   0.00000   0.00048  -0.00033   0.00015  -3.12816
   D70        0.04366  -0.00001  -0.00041   0.00016  -0.00025   0.04341
   D71       -2.23728  -0.00001  -0.00038   0.00022  -0.00015  -2.23744
   D72        0.88961  -0.00000  -0.00066   0.00022  -0.00044   0.88918
   D73        0.94729  -0.00000  -0.00004   0.00001  -0.00004   0.94725
   D74       -2.20900  -0.00000  -0.00033   0.00000  -0.00032  -2.20932
   D75        0.00334   0.00000  -0.00029   0.00026  -0.00004   0.00331
   D76       -3.07981  -0.00000  -0.00029   0.00019  -0.00010  -3.07991
   D77        3.11442   0.00001   0.00060  -0.00024   0.00036   3.11478
   D78        0.03127   0.00000   0.00060  -0.00030   0.00030   0.03156
   D79       -0.05149   0.00004  -0.00339   0.00164  -0.00175  -0.05324
   D80        3.13445   0.00004  -0.00103   0.00019  -0.00085   3.13361
   D81       -2.80827   0.00002  -0.00175   0.00049  -0.00125  -2.80952
   D82        0.37767   0.00003   0.00062  -0.00096  -0.00034   0.37733
   D83        0.16396  -0.00009  -0.00073   0.00008  -0.00064   0.16332
   D84       -2.09795   0.00002  -0.00067   0.00036  -0.00031  -2.09826
   D85        2.34863   0.00003  -0.00084   0.00077  -0.00008   2.34855
   D86        2.92630  -0.00009  -0.00234   0.00119  -0.00114   2.92516
   D87        0.66439   0.00003  -0.00228   0.00147  -0.00081   0.66358
   D88       -1.17221   0.00003  -0.00245   0.00188  -0.00058  -1.17279
   D89        0.02202  -0.00002   0.00257  -0.00123   0.00134   0.02336
   D90       -3.09922  -0.00001   0.00161  -0.00083   0.00077  -3.09844
   D91        3.12165  -0.00002   0.00033   0.00015   0.00048   3.12213
   D92        0.00041  -0.00001  -0.00064   0.00055  -0.00009   0.00032
   D93        3.11914   0.00001  -0.00107   0.00042  -0.00065   3.11849
   D94       -0.02692  -0.00000  -0.00208   0.00089  -0.00119  -0.02811
   D95        0.02143   0.00001   0.00126  -0.00101   0.00025   0.02168
   D96       -3.12463  -0.00000   0.00025  -0.00054  -0.00029  -3.12492
   D97       -0.00951  -0.00002   0.00044  -0.00034   0.00010  -0.00941
   D98        3.11246  -0.00003   0.00138  -0.00072   0.00065   3.11311
   D99       -0.02000   0.00001  -0.00011   0.00015   0.00004  -0.01996
   D100       3.11418   0.00001  -0.00012   0.00021   0.00009   3.11427
   D101       3.14077   0.00001  -0.00101   0.00052  -0.00050   3.14027
   D102      -0.00823   0.00001  -0.00103   0.00058  -0.00045  -0.00868
   D103      -0.02438  -0.00001  -0.00115   0.00079  -0.00036  -0.02474
   D104       3.11365  -0.00000  -0.00164   0.00125  -0.00040   3.11325
   D105       3.12157   0.00001  -0.00017   0.00034   0.00017   3.12175
   D106      -0.02358   0.00001  -0.00066   0.00079   0.00013  -0.02345
   D107       0.00457  -0.00000   0.00037  -0.00007   0.00030   0.00486
   D108      -3.13765  -0.00000   0.00065  -0.00044   0.00021  -3.13744
   D109      -3.13346  -0.00000   0.00086  -0.00053   0.00033  -3.13312
   D110       0.00750  -0.00001   0.00114  -0.00089   0.00025   0.00775
   D111       0.01741  -0.00000   0.00025  -0.00039  -0.00014   0.01727
   D112      -3.11648  -0.00000   0.00026  -0.00045  -0.00019  -3.11667
   D113      -3.12355   0.00000  -0.00002  -0.00003  -0.00005  -3.12360
   D114       0.02575  -0.00000  -0.00002  -0.00009  -0.00010   0.02564
   D115      -2.17774   0.00001  -0.00109   0.00048  -0.00061  -2.17836
   D116       0.95513  -0.00001  -0.00044   0.00006  -0.00038   0.95475
   D117       0.96321   0.00000  -0.00081   0.00011  -0.00070   0.96250
   D118      -2.18711  -0.00001  -0.00016  -0.00031  -0.00047  -2.18757
   D119      -3.14098   0.00000   0.00027  -0.00012   0.00015  -3.14082
   D120      -0.04135   0.00000  -0.00039   0.00016  -0.00023  -0.04158
   D121      -0.00240   0.00000   0.00009  -0.00006   0.00003  -0.00237
   D122       3.09722   0.00001  -0.00058   0.00022  -0.00035   3.09687
   D123      -3.14121  -0.00000  -0.00021   0.00006  -0.00015  -3.14135
   D124      -0.03615   0.00001  -0.00021   0.00004  -0.00017  -0.03633
   D125       0.00341  -0.00000  -0.00003   0.00000  -0.00003   0.00338
   D126       3.10846   0.00000  -0.00003  -0.00002  -0.00005   3.10841
   D127       3.12693   0.00000  -0.00019  -0.00004  -0.00023   3.12670
   D128       0.02350  -0.00000  -0.00027  -0.00006  -0.00033   0.02317
   D129      -0.00215  -0.00000   0.00005  -0.00004   0.00001  -0.00214
   D130      -3.10558  -0.00001  -0.00003  -0.00006  -0.00009  -3.10567
   D131      -3.12816  -0.00000   0.00021   0.00003   0.00024  -3.12792
   D132       0.05735  -0.00001   0.00033  -0.00006   0.00027   0.05762
   D133       0.00084   0.00000  -0.00004   0.00003  -0.00000   0.00084
   D134      -3.09684  -0.00000   0.00009  -0.00006   0.00003  -3.09681
   D135       3.13165  -0.00001   0.00052  -0.00030   0.00021   3.13186
   D136       0.01942  -0.00001   0.00086  -0.00049   0.00037   0.01979
   D137      -0.00249   0.00000  -0.00004   0.00005   0.00001  -0.00248
   D138      -3.11472   0.00000   0.00030  -0.00013   0.00017  -3.11455
   D139      -3.13275   0.00001  -0.00058   0.00036  -0.00022  -3.13297
   D140       0.03997   0.00001  -0.00026   0.00019  -0.00007   0.03990
   D141       0.00139  -0.00000  -0.00002   0.00000  -0.00002   0.00137
   D142      -3.10907  -0.00000   0.00030  -0.00017   0.00013  -3.10894
   D143       0.00259   0.00000  -0.00005   0.00003  -0.00001   0.00258
   D144      -3.12802  -0.00000  -0.00021   0.00011  -0.00010  -3.12812
   D145       3.10954   0.00000   0.00002   0.00005   0.00007   3.10962
   D146      -0.02107   0.00000  -0.00014   0.00013  -0.00001  -0.02108
   D147       3.11958   0.00000   0.00025  -0.00012   0.00013   3.11971
   D148      -0.01131   0.00000   0.00030  -0.00011   0.00019  -0.01112
   D149       0.02041  -0.00000   0.00016  -0.00014   0.00003   0.02044
   D150      -3.11048  -0.00000   0.00021  -0.00013   0.00008  -3.11040
   D151      -0.00204  -0.00000   0.00003  -0.00001   0.00001  -0.00203
   D152       3.12386  -0.00000  -0.00015   0.00010  -0.00005   3.12381
   D153       3.12637   0.00000   0.00022  -0.00011   0.00012   3.12648
   D154      -0.03091  -0.00000   0.00005   0.00001   0.00006  -0.03086
   D155       0.00638  -0.00000   0.00013  -0.00014  -0.00001   0.00637
   D156      -3.14127  -0.00000   0.00035  -0.00030   0.00005  -3.14122
   D157      -3.12072  -0.00000  -0.00009  -0.00004  -0.00012  -3.12084
   D158       0.01481  -0.00000   0.00013  -0.00019  -0.00006   0.01475
   D159       0.00076  -0.00000   0.00000  -0.00001  -0.00001   0.00075
   D160       3.10266   0.00000  -0.00011   0.00007  -0.00004   3.10262
   D161      -3.12775   0.00000   0.00015  -0.00011   0.00004  -3.12771
   D162      -0.02585   0.00000   0.00004  -0.00003   0.00001  -0.02584
   D163      -3.11613  -0.00000   0.00002  -0.00001   0.00001  -3.11612
   D164       0.01888   0.00000   0.00030  -0.00015   0.00015   0.01903
   D165       0.00821  -0.00000  -0.00017   0.00011  -0.00006   0.00815
   D166      -3.13996   0.00000   0.00011  -0.00003   0.00008  -3.13988
   D167       3.11713   0.00000   0.00023  -0.00014   0.00009   3.11721
   D168      -0.00953  -0.00001  -0.00133   0.00084  -0.00049  -0.01001
   D169       0.02428   0.00000   0.00036  -0.00024   0.00012   0.02440
   D170      -3.10238  -0.00001  -0.00119   0.00074  -0.00045  -3.10283
   D171       0.00050  -0.00000  -0.00011   0.00009  -0.00002   0.00048
   D172       3.12760  -0.00000  -0.00021   0.00001  -0.00021   3.12739
   D173      -3.10314  -0.00000   0.00049  -0.00016   0.00032  -3.10282
   D174       0.02396  -0.00000   0.00038  -0.00025   0.00014   0.02410
   D175      -3.11815  -0.00000   0.00018   0.00004   0.00022  -3.11793
   D176       0.01198   0.00000  -0.00007   0.00021   0.00015   0.01212
   D177      -0.02314  -0.00000  -0.00055   0.00035  -0.00020  -0.02334
   D178       3.10700   0.00000  -0.00080   0.00052  -0.00028   3.10672
   D179       0.00156   0.00000   0.00009  -0.00009   0.00000   0.00157
   D180      -3.12979  -0.00000   0.00033  -0.00017   0.00017  -3.12962
   D181      -3.12268  -0.00000   0.00021   0.00002   0.00023  -3.12245
   D182       0.02916  -0.00000   0.00045  -0.00006   0.00039   0.02955
   D183      -0.00726   0.00000   0.00006  -0.00004   0.00002  -0.00724
   D184       3.14103  -0.00000   0.00004  -0.00000   0.00004   3.14107
   D185       3.11525   0.00000  -0.00007  -0.00015  -0.00022   3.11502
   D186      -0.01965   0.00000  -0.00009  -0.00011  -0.00020  -0.01985
   D187      -0.00306   0.00000  -0.00004   0.00005   0.00001  -0.00305
   D188      -3.11170  -0.00000  -0.00004   0.00007   0.00004  -3.11166
   D189       3.12998   0.00000  -0.00024   0.00012  -0.00012   3.12985
   D190       0.02134  -0.00000  -0.00024   0.00014  -0.00010   0.02124
   D191       3.12598   0.00000  -0.00026   0.00018  -0.00009   3.12589
   D192      -0.01258   0.00000   0.00003  -0.00009  -0.00006  -0.01264
   D193      -0.00435  -0.00000   0.00001   0.00009   0.00010  -0.00425
   D194       3.14028   0.00000   0.00030  -0.00018   0.00012   3.14040
   D195      -3.12439  -0.00000   0.00042  -0.00032   0.00010  -3.12429
   D196       0.01043  -0.00000  -0.00030   0.00016  -0.00014   0.01029
   D197      -0.02330   0.00000   0.00041  -0.00034   0.00007  -0.02323
   D198       3.11152   0.00000  -0.00031   0.00013  -0.00017   3.11135
   D199       0.00259  -0.00000   0.00009  -0.00009  -0.00000   0.00259
   D200      -3.13019  -0.00000  -0.00000   0.00008   0.00008  -3.13011
   D201       3.11756  -0.00000  -0.00022   0.00008  -0.00014   3.11741
   D202      -0.01522  -0.00000  -0.00031   0.00025  -0.00006  -0.01529
   D203       3.12331  -0.00000  -0.00040   0.00027  -0.00013   3.12318
   D204      -0.01470   0.00000  -0.00015   0.00009  -0.00006  -0.01476
   D205       0.01434  -0.00000  -0.00002   0.00007   0.00005   0.01438
   D206      -3.12367   0.00000   0.00023  -0.00011   0.00012  -3.12355
   D207      -0.00170  -0.00000  -0.00010   0.00009  -0.00001  -0.00172
   D208       3.12748   0.00000  -0.00017   0.00006  -0.00011   3.12738
   D209       3.12930  -0.00000   0.00001  -0.00012  -0.00011   3.12919
   D210      -0.02470   0.00000  -0.00006  -0.00014  -0.00020  -0.02491
   D211       0.00500   0.00000   0.00053  -0.00049   0.00004   0.00504
   D212      -3.14060   0.00000   0.00008  -0.00009  -0.00001  -3.14061
   D213      -3.12495   0.00000   0.00041  -0.00026   0.00015  -3.12480
   D214       0.01264   0.00000  -0.00004   0.00014   0.00010   0.01273
   D215       0.00021   0.00000   0.00007  -0.00005   0.00002   0.00023
   D216       3.11359   0.00000  -0.00021   0.00009  -0.00012   3.11347
   D217      -3.13106  -0.00000   0.00014  -0.00003   0.00010  -3.13096
   D218      -0.01768  -0.00000  -0.00015   0.00011  -0.00004  -0.01772
   D219      -3.12258  -0.00000   0.00000   0.00010   0.00010  -3.12248
   D220       0.01385  -0.00000  -0.00033   0.00036   0.00003   0.01388
   D221       0.00537   0.00000  -0.00008   0.00007  -0.00000   0.00537
   D222      -3.14138   0.00000  -0.00041   0.00033  -0.00008  -3.14146
   D223       3.12412  -0.00000  -0.00014   0.00002  -0.00012   3.12400
   D224      -0.00892  -0.00000  -0.00001  -0.00011  -0.00012  -0.00904
   D225       0.01709   0.00000   0.00022  -0.00017   0.00005   0.01715
   D226      -3.11594   0.00000   0.00034  -0.00029   0.00005  -3.11589
   D227       0.00984   0.00000  -0.00010   0.00007  -0.00003   0.00981
   D228      -3.14069   0.00000   0.00057  -0.00039   0.00018  -3.14051
   D229      -3.12516  -0.00001  -0.00038   0.00021  -0.00017  -3.12533
   D230       0.00749  -0.00000   0.00029  -0.00025   0.00004   0.00754
   D231      -0.01125   0.00000   0.00052  -0.00035   0.00018  -0.01107
   D232       3.12143   0.00001   0.00055  -0.00035   0.00020   3.12162
   D233       3.13926   0.00000  -0.00014   0.00011  -0.00004   3.13922
   D234      -0.01125   0.00000  -0.00012   0.00011  -0.00002  -0.01127
   D235      -0.00582  -0.00000  -0.00064   0.00043  -0.00022  -0.00604
   D236       3.12092   0.00001   0.00091  -0.00055   0.00035   3.12128
   D237      -3.13853  -0.00001  -0.00067   0.00043  -0.00024  -3.13877
   D238      -0.01179   0.00000   0.00089  -0.00055   0.00033  -0.01146
   D239      -0.00573  -0.00000  -0.00019   0.00017  -0.00002  -0.00575
   D240       3.14123   0.00000  -0.00022   0.00022  -0.00001   3.14123
   D241       3.12521  -0.00000  -0.00023   0.00016  -0.00007   3.12513
   D242      -0.01101   0.00000  -0.00027   0.00021  -0.00006  -0.01107
   D243      -0.00841   0.00000   0.00019  -0.00019   0.00000  -0.00841
   D244       3.14043   0.00000   0.00016  -0.00010   0.00005   3.14049
   D245       3.12778   0.00000   0.00022  -0.00024  -0.00001   3.12777
   D246      -0.00656  -0.00000   0.00019  -0.00015   0.00004  -0.00652
   D247       0.00794  -0.00000  -0.00015   0.00017   0.00001   0.00795
   D248      -3.12758   0.00000  -0.00037   0.00033  -0.00005  -3.12763
   D249      -3.14092   0.00000  -0.00012   0.00008  -0.00004  -3.14096
   D250       0.00674   0.00000  -0.00034   0.00024  -0.00010   0.00664
   D251      -0.00971   0.00000   0.00004  -0.00011  -0.00007  -0.00978
   D252       3.13579   0.00000   0.00037  -0.00028   0.00008   3.13588
   D253       3.12884   0.00000  -0.00025   0.00016  -0.00010   3.12874
   D254      -0.00884   0.00000   0.00007  -0.00002   0.00006  -0.00878
   D255       0.00749  -0.00000   0.00015  -0.00010   0.00005   0.00754
   D256      -3.13717   0.00000  -0.00021   0.00026   0.00005  -3.13712
   D257      -3.13800   0.00000  -0.00018   0.00007  -0.00011  -3.13811
   D258       0.00052   0.00000  -0.00054   0.00044  -0.00010   0.00041
   D259       0.00897  -0.00000  -0.00037   0.00032  -0.00005   0.00892
   D260      -3.12591  -0.00000   0.00035  -0.00015   0.00020  -3.12571
   D261      -3.12957  -0.00000  -0.00001  -0.00004  -0.00005  -3.12962
   D262       0.01873  -0.00000   0.00071  -0.00051   0.00020   0.01893
   D263       0.00636   0.00000   0.00029  -0.00018   0.00011   0.00647
   D264      -3.14025   0.00000   0.00010  -0.00006   0.00004  -3.14020
   D265      -3.12385  -0.00000   0.00054  -0.00035   0.00019  -3.12366
   D266       0.01273  -0.00000   0.00035  -0.00023   0.00012   0.01285
   D267       0.00978  -0.00000   0.00015  -0.00010   0.00004   0.00983
   D268      -3.13976   0.00000   0.00023  -0.00013   0.00010  -3.13966
   D269      -3.12678  -0.00000   0.00033  -0.00022   0.00011  -3.12667
   D270       0.00687   0.00000   0.00042  -0.00025   0.00017   0.00704
   D271      -0.00916  -0.00000  -0.00032   0.00021  -0.00011  -0.00927
   D272       3.12572   0.00000  -0.00030   0.00017  -0.00013   3.12559
   D273       3.14040  -0.00000  -0.00041   0.00024  -0.00016   3.14024
   D274      -0.00790  -0.00000  -0.00039   0.00020  -0.00019  -0.00808
   D275       0.00670  -0.00000   0.00023  -0.00020   0.00003   0.00673
   D276      -3.14080   0.00000  -0.00017   0.00018   0.00001  -3.14078
   D277      -3.12972  -0.00000   0.00056  -0.00046   0.00010  -3.12962
   D278       0.00597   0.00000   0.00017  -0.00008   0.00008   0.00605
   D279      -0.00715  -0.00000  -0.00016   0.00015  -0.00002  -0.00717
   D280       3.13011   0.00000  -0.00028   0.00030   0.00002   3.13013
   D281       3.14033  -0.00000   0.00023  -0.00023   0.00000   3.14033
   D282      -0.00559  -0.00000   0.00012  -0.00008   0.00004  -0.00555
   D283      -0.00473   0.00000  -0.00007   0.00004  -0.00003  -0.00475
   D284       3.12834  -0.00000  -0.00019   0.00016  -0.00002   3.12832
   D285       3.14117   0.00000   0.00005  -0.00011  -0.00006   3.14111
   D286      -0.00894  -0.00000  -0.00007   0.00001  -0.00006  -0.00900
   D287      -0.00369   0.00000   0.00013  -0.00014  -0.00001  -0.00370
   D288       3.13938   0.00000  -0.00016   0.00014  -0.00003   3.13935
   D289       3.13433  -0.00000  -0.00012   0.00004  -0.00008   3.13425
   D290      -0.00578  -0.00000  -0.00042   0.00032  -0.00010  -0.00588
   D291      -0.00616   0.00000   0.00009  -0.00010  -0.00001  -0.00618
   D292       3.13884  -0.00000   0.00018  -0.00011   0.00007   3.13890
   D293       3.13394  -0.00000   0.00039  -0.00039   0.00000   3.13395
   D294      -0.00424  -0.00000   0.00048  -0.00039   0.00009  -0.00415
   D295       0.00539  -0.00000  -0.00043   0.00042  -0.00000   0.00539
   D296      -3.13219  -0.00000   0.00003   0.00002   0.00005  -3.13214
   D297      -3.13962  -0.00000  -0.00051   0.00043  -0.00008  -3.13970
   D298       0.00599   0.00000  -0.00006   0.00003  -0.00003   0.00595
   D299       1.79471  -0.00025  -0.00003   0.00093   0.00090   1.79561
   D300      -0.46049  -0.00007  -0.00005   0.00091   0.00086  -0.45963
   D301      -2.70142  -0.00019  -0.00004   0.00071   0.00067  -2.70075
   D302       3.09979  -0.00003   0.00401  -0.00032   0.00368   3.10347
   D303      -1.01712  -0.00001   0.00374   0.00045   0.00419  -1.01293
   D304       1.21463   0.00010   0.00355   0.00038   0.00393   1.21856
   D305      -2.29252  -0.00002   0.00741   0.00091   0.00831  -2.28421
   D306      -0.15817  -0.00004   0.00779   0.00095   0.00875  -0.14942
   D307       1.88926  -0.00008   0.00759   0.00085   0.00843   1.89769
   D308       1.53246   0.00001  -0.02773   0.00010  -0.02762   1.50484
   D309      -2.64451  -0.00000  -0.02866   0.00108  -0.02760  -2.67211
   D310      -0.63126   0.00004  -0.02954   0.00098  -0.02854  -0.65981
   D311      -3.07001  -0.00010   0.00145   0.00009   0.00154  -3.06847
   D312      -0.98247  -0.00010   0.00140   0.00003   0.00143  -0.98104
   D313       1.13415  -0.00011   0.00154   0.00008   0.00162   1.13577
   D314       1.10807   0.00010  -0.00024   0.00082   0.00058   1.10864
   D315      -3.08758   0.00011  -0.00028   0.00075   0.00047  -3.08711
   D316      -0.97095   0.00010  -0.00014   0.00080   0.00066  -0.97030
   D317      -1.03641   0.00002   0.00055   0.00076   0.00132  -1.03509
   D318       1.05113   0.00002   0.00051   0.00070   0.00121   1.05234
   D319      -3.11543   0.00001   0.00065   0.00075   0.00140  -3.11403
   D320      -0.94741  -0.00003  -0.00726  -0.00061  -0.00788  -0.95529
   D321       1.15445   0.00001  -0.00587  -0.00103  -0.00689   1.14755
   D322      -2.95702   0.00003  -0.00648  -0.00104  -0.00753  -2.96455
   D323       3.09484   0.00001   0.00321   0.00021   0.00341   3.09825
   D324      -1.09391  -0.00001   0.00251   0.00058   0.00308  -1.09083
   D325       1.01551  -0.00001   0.00308   0.00047   0.00355   1.01906
   D326       1.06411   0.00001   0.00542  -0.00111   0.00431   1.06841
   D327      -3.12464  -0.00000   0.00472  -0.00074   0.00398  -3.12066
   D328      -1.01522  -0.00000   0.00529  -0.00085   0.00445  -1.01077
   D329      -1.05165   0.00001   0.00467  -0.00079   0.00389  -1.04776
   D330       1.04279  -0.00001   0.00396  -0.00041   0.00356   1.04634
   D331      -3.13097  -0.00001   0.00454  -0.00052   0.00402  -3.12695
         Item               Value     Threshold  Converged?
 Maximum Force            0.001005     0.000450     NO 
 RMS     Force            0.000052     0.000300     YES
 Maximum Displacement     0.080338     0.001800     NO 
 RMS     Displacement     0.007570     0.001200     NO 
 Predicted change in Energy=-4.939553D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.590128    3.247094    0.121612
      2          6           0       -2.750848    1.866634    0.261220
      3          6           0       -1.648558    1.004824    0.207792
      4          6           0       -0.357079    1.555894    0.077453
      5          6           0       -0.203681    2.939827   -0.080891
      6          6           0       -1.305764    3.781660   -0.073145
      7          6           0       -1.785874   -0.463334    0.164404
      8          6           0       -0.655049   -1.289342    0.381122
      9          6           0        0.630362   -0.648528    0.810196
     10          6           0        0.826217    0.684809    0.146278
     11          6           0       -2.993806   -1.051223   -0.229168
     12          6           0       -3.090968   -2.422982   -0.467828
     13          6           0       -1.946457   -3.219463   -0.348201
     14          6           0       -0.750389   -2.651681    0.068932
     15          7           0        1.787577   -1.471825    0.893373
     16          6           0        3.038757   -0.963450    0.431412
     17          6           0        3.080287    0.322103   -0.156699
     18          7           0        1.960215    1.123689   -0.280259
     19          6           0        4.233404   -1.699637    0.482675
     20          6           0        5.421695   -1.170404   -0.004955
     21          6           0        5.461813    0.103789   -0.590786
     22          6           0        4.282832    0.833842   -0.669170
     23          7           0       -3.719406    4.099384    0.167466
     24          7           0       -4.321456   -2.990616   -0.876302
     25          7           0        6.680118    0.630942   -1.089391
     26          6           0       -4.952310   -4.088998   -0.273983
     27          6           0       -6.170189   -4.346849   -0.951409
     28          6           0       -6.279689   -3.365183   -2.010801
     29          6           0       -5.125144   -2.545658   -1.935628
     30          6           0       -3.849895    5.247843    0.963182
     31          6           0       -5.122345    5.826546    0.728951
     32          6           0       -5.791467    4.994020   -0.248984
     33          6           0       -4.901646    3.938791   -0.571428
     34          6           0        7.254815    1.855157   -0.723763
     35          6           0        8.474047    2.019222   -1.428925
     36          6           0        8.641347    0.844539   -2.259136
     37          6           0        7.518175    0.011155   -2.024367
     38          6           0       -7.232213   -3.125913   -3.007735
     39          6           0       -7.021023   -2.091065   -3.913966
     40          6           0       -5.861088   -1.301993   -3.838963
     41          6           0       -4.897576   -1.518119   -2.855567
     42          6           0       -4.557191   -4.839988    0.836170
     43          6           0       -5.393505   -5.876299    1.245765
     44          6           0       -6.596059   -6.157264    0.575553
     45          6           0       -6.991511   -5.394305   -0.518932
     46          6           0       -7.041841    5.059437   -0.874045
     47          6           0       -7.385889    4.086066   -1.807198
     48          6           0       -6.486326    3.056184   -2.128341
     49          6           0       -5.234664    2.970273   -1.522518
     50          6           0       -2.962927    5.787917    1.898511
     51          6           0       -3.358849    6.937635    2.578638
     52          6           0       -4.608383    7.535132    2.343822
     53          6           0       -5.495234    6.981598    1.425495
     54          6           0        9.620669    0.439975   -3.173519
     55          6           0        9.467506   -0.772301   -3.839614
     56          6           0        8.340959   -1.578848   -3.605665
     57          6           0        7.351539   -1.200423   -2.700752
     58          6           0        6.806174    2.807667    0.194978
     59          6           0        7.591284    3.942431    0.386483
     60          6           0        8.795911    4.127385   -0.313012
     61          6           0        9.243133    3.169489   -1.217855
     62          8           0        0.464851   -3.070085    2.688454
     63         15           0        1.768864   -2.800998    2.055079
     64          8           0        2.989609   -2.517304    3.051776
     65          8           0        2.367638   -3.951681    1.103196
     66          6           0        2.772304   -1.969444    4.396512
     67          6           0        3.713644   -0.801498    4.606599
     68          6           0        2.595006   -5.285905    1.652802
     69          6           0        1.342410   -6.140581    1.575687
     70          1           0       -3.745732    1.475707    0.435231
     71          1           0        0.796753    3.337220   -0.206616
     72          1           0       -1.184489    4.849915   -0.213028
     73          1           0       -3.870574   -0.436255   -0.387993
     74          1           0       -1.991509   -4.270850   -0.608450
     75          1           0        0.128031   -3.279736    0.095450
     76          1           0        4.251052   -2.690526    0.907018
     77          1           0        6.334072   -1.751624    0.072010
     78          1           0        4.253851    1.813121   -1.132374
     79          1           0       -8.122020   -3.745127   -3.075707
     80          1           0       -7.753366   -1.895321   -4.690986
     81          1           0       -5.704391   -0.510743   -4.566283
     82          1           0       -3.997029   -0.915493   -2.818034
     83          1           0       -3.638530   -4.620932    1.368821
     84          1           0       -5.108563   -6.474992    2.105798
     85          1           0       -7.223922   -6.972904    0.920516
     86          1           0       -7.927611   -5.604076   -1.028399
     87          1           0       -7.732879    5.862546   -0.634573
     88          1           0       -8.355060    4.123109   -2.294797
     89          1           0       -6.767910    2.306393   -2.861661
     90          1           0       -4.544251    2.178755   -1.790250
     91          1           0       -2.003092    5.326155    2.099911
     92          1           0       -2.685429    7.375885    3.309192
     93          1           0       -4.885098    8.431726    2.889730
     94          1           0       -6.467330    7.435193    1.254806
     95          1           0       10.486533    1.067769   -3.363536
     96          1           0       10.220854   -1.097099   -4.550586
     97          1           0        8.234199   -2.516449   -4.143255
     98          1           0        6.479287   -1.823132   -2.535311
     99          1           0        5.881387    2.669992    0.744059
    100          1           0        7.262642    4.698135    1.093797
    101          1           0        9.382602    5.024609   -0.141940
    102          1           0       10.178871    3.309434   -1.751509
    103          1           0        1.727670   -1.671978    4.497171
    104          1           0        2.979616   -2.790499    5.088508
    105          1           0        3.611064   -0.434250    5.633048
    106          1           0        4.754080   -1.099337    4.449244
    107          1           0        3.470466    0.016581    3.924395
    108          1           0        3.401663   -5.696782    1.041317
    109          1           0        2.961566   -5.192149    2.679969
    110          1           0        1.560908   -7.144678    1.954371
    111          1           0        0.539993   -5.705051    2.175027
    112          1           0        1.002162   -6.233229    0.540315
    113         17           0        0.314001    0.109878    2.768588
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351578           0.0181596           0.0142637
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10694.5717335314 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000009    0.000034    0.000068 Ang=   0.01 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48648233     A.U. after    9 cycles
            NFock=  9  Conv=0.92D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000033608   -0.000004531   -0.000017400
      2        6           0.000003681   -0.000000596    0.000068432
      3        6          -0.000014405   -0.000038955    0.000004183
      4        6          -0.000051964    0.000091092   -0.000028858
      5        6           0.000029957   -0.000019409    0.000001089
      6        6          -0.000027829    0.000004408   -0.000021684
      7        6           0.000001064    0.000015324    0.000006916
      8        6           0.000134614    0.000155731    0.000223151
      9        6           0.000058366   -0.000185035   -0.000130848
     10        6           0.000124384   -0.000102450   -0.000074988
     11        6           0.000006581   -0.000021858   -0.000023086
     12        6          -0.000030645    0.000004368   -0.000016015
     13        6           0.000016608   -0.000001631    0.000002404
     14        6          -0.000007197   -0.000026481    0.000009085
     15        7          -0.000322049    0.000211517    0.000171470
     16        6           0.000005200   -0.000061829   -0.000049612
     17        6           0.000151942   -0.000091757    0.000038368
     18        7          -0.000145297    0.000117887    0.000102837
     19        6           0.000013707   -0.000022102   -0.000036089
     20        6          -0.000018304    0.000007201    0.000032453
     21        6           0.000044489    0.000019058   -0.000016797
     22        6          -0.000030029    0.000003325   -0.000012500
     23        7          -0.000046130    0.000021001    0.000023971
     24        7           0.000017134   -0.000009859    0.000025310
     25        7          -0.000061804    0.000021487   -0.000006141
     26        6           0.000005560    0.000007728    0.000008132
     27        6          -0.000000524   -0.000002291    0.000000390
     28        6          -0.000002989    0.000005032    0.000001833
     29        6          -0.000001233    0.000009703   -0.000035039
     30        6          -0.000006993   -0.000025258    0.000025800
     31        6          -0.000016696   -0.000018679    0.000004179
     32        6           0.000005925    0.000024988   -0.000009774
     33        6           0.000036333    0.000019430   -0.000015826
     34        6           0.000009933   -0.000018391    0.000016720
     35        6           0.000005089   -0.000001101    0.000011340
     36        6          -0.000005938    0.000002663   -0.000009934
     37        6           0.000023279   -0.000013075   -0.000016608
     38        6           0.000002153   -0.000014268   -0.000005542
     39        6          -0.000002438    0.000013306    0.000001635
     40        6          -0.000001982    0.000002686   -0.000014394
     41        6          -0.000001924   -0.000000177    0.000022044
     42        6          -0.000007154   -0.000004837   -0.000007207
     43        6           0.000003029   -0.000005503    0.000000665
     44        6          -0.000003712    0.000001856    0.000002927
     45        6           0.000000267   -0.000000653   -0.000008585
     46        6          -0.000004220   -0.000008992    0.000003186
     47        6          -0.000005651    0.000008496   -0.000004579
     48        6           0.000012234   -0.000015926    0.000007552
     49        6          -0.000004855   -0.000002501   -0.000012691
     50        6           0.000010915   -0.000006666   -0.000007216
     51        6           0.000011274   -0.000002415   -0.000001732
     52        6           0.000002553    0.000002806    0.000000388
     53        6          -0.000000883    0.000008210   -0.000004333
     54        6           0.000004774    0.000000273    0.000006927
     55        6          -0.000001626    0.000002295   -0.000006163
     56        6           0.000006352   -0.000007515   -0.000004316
     57        6          -0.000010835   -0.000003649    0.000009373
     58        6          -0.000006577   -0.000003438   -0.000008870
     59        6          -0.000001434    0.000011018    0.000000268
     60        6           0.000001907   -0.000005976    0.000009598
     61        6           0.000006742    0.000004595   -0.000009873
     62        8          -0.000011046    0.000157244   -0.000015047
     63       15           0.000054987   -0.000033342    0.000042187
     64        8          -0.000195953   -0.000032083    0.000349880
     65        8          -0.000060858   -0.000098194   -0.000094014
     66        6           0.000247434    0.000285266   -0.000397699
     67        6           0.000001108    0.000075933    0.000048383
     68        6           0.000077837    0.000127442   -0.000033566
     69        6           0.000077886   -0.000053739    0.000016039
     70        1           0.000002665    0.000006102   -0.000017223
     71        1          -0.000003281    0.000001633   -0.000007159
     72        1          -0.000004334   -0.000003706    0.000008437
     73        1           0.000005969    0.000006175   -0.000003559
     74        1          -0.000001816    0.000001869   -0.000000542
     75        1          -0.000000430   -0.000015889    0.000000308
     76        1           0.000004257   -0.000023478    0.000001455
     77        1          -0.000007044   -0.000015922   -0.000014866
     78        1           0.000000208    0.000000926    0.000013334
     79        1          -0.000002197    0.000006868    0.000000611
     80        1           0.000002077   -0.000005579   -0.000003689
     81        1          -0.000003802   -0.000003399    0.000007333
     82        1           0.000002001   -0.000003055   -0.000003895
     83        1           0.000010942    0.000004391    0.000003859
     84        1          -0.000000137    0.000004629   -0.000001534
     85        1           0.000002005   -0.000000515   -0.000002351
     86        1          -0.000002674    0.000002244    0.000006350
     87        1           0.000000182   -0.000000262    0.000000646
     88        1           0.000002236   -0.000001725    0.000005783
     89        1           0.000001267    0.000009729   -0.000001085
     90        1          -0.000001091   -0.000002015    0.000007774
     91        1          -0.000001270    0.000002638   -0.000008352
     92        1          -0.000003401    0.000000707    0.000000046
     93        1          -0.000003357   -0.000000600   -0.000000015
     94        1           0.000001355    0.000001578    0.000001653
     95        1           0.000001207   -0.000004098   -0.000002072
     96        1          -0.000000072   -0.000000714    0.000004560
     97        1          -0.000002374    0.000003832    0.000001270
     98        1           0.000005352    0.000006679   -0.000001202
     99        1           0.000002548    0.000000526    0.000000330
    100        1           0.000005594   -0.000002193    0.000001127
    101        1          -0.000002186    0.000006026   -0.000002270
    102        1          -0.000003871    0.000001192    0.000004547
    103        1          -0.000078633   -0.000390553    0.000116567
    104        1          -0.000004989   -0.000001053    0.000021679
    105        1           0.000013730   -0.000001751    0.000000557
    106        1          -0.000007788   -0.000004229   -0.000008826
    107        1          -0.000004255   -0.000010429   -0.000003817
    108        1           0.000056896   -0.000060299    0.000013494
    109        1          -0.000070258    0.000014613    0.000027123
    110        1           0.000019214    0.000007758   -0.000023637
    111        1          -0.000038362   -0.000056459   -0.000060675
    112        1          -0.000046615    0.000023439    0.000018701
    113       17           0.000016799    0.000016162   -0.000242861
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000397699 RMS     0.000062225

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000911780 RMS     0.000076375
 Search for a local minimum.
 Step number  37 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37
 DE= -1.85D-06 DEPred=-4.94D-07 R= 3.75D+00
 TightC=F SS=  1.41D+00  RLast= 5.76D-02 DXNew= 1.0744D+00 1.7289D-01
 Trust test= 3.75D+00 RLast= 5.76D-02 DXMaxT set to 6.39D-01
 ITU=  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1
 ITU=  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00245   0.00357   0.00440   0.00641   0.00873
     Eigenvalues ---    0.01077   0.01597   0.01649   0.01957   0.02442
     Eigenvalues ---    0.02485   0.02541   0.02553   0.02585   0.02601
     Eigenvalues ---    0.02634   0.02642   0.02652   0.02677   0.02681
     Eigenvalues ---    0.02698   0.02704   0.02709   0.02714   0.02735
     Eigenvalues ---    0.02755   0.02768   0.02776   0.02795   0.02796
     Eigenvalues ---    0.02802   0.02808   0.02812   0.02815   0.02825
     Eigenvalues ---    0.02834   0.02845   0.02857   0.02864   0.02868
     Eigenvalues ---    0.02875   0.02882   0.02887   0.02896   0.02900
     Eigenvalues ---    0.02902   0.02907   0.02909   0.02914   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02934   0.02945   0.02947
     Eigenvalues ---    0.02950   0.02950   0.02953   0.02955   0.02958
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02973   0.02977
     Eigenvalues ---    0.02990   0.02992   0.02993   0.02999   0.03003
     Eigenvalues ---    0.03019   0.03025   0.03032   0.03047   0.03056
     Eigenvalues ---    0.03059   0.03065   0.03072   0.03084   0.03093
     Eigenvalues ---    0.03100   0.03113   0.03121   0.03132   0.03143
     Eigenvalues ---    0.03161   0.03175   0.03176   0.03185   0.03194
     Eigenvalues ---    0.03225   0.03244   0.03255   0.03276   0.03315
     Eigenvalues ---    0.03494   0.03521   0.03903   0.05064   0.05130
     Eigenvalues ---    0.05430   0.05734   0.05778   0.05908   0.05935
     Eigenvalues ---    0.06153   0.06241   0.06880   0.07971   0.10352
     Eigenvalues ---    0.11797   0.12026   0.13551   0.13803   0.14187
     Eigenvalues ---    0.15143   0.15877   0.15910   0.15966   0.15988
     Eigenvalues ---    0.15992   0.15994   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16004
     Eigenvalues ---    0.16007   0.16008   0.16012   0.16021   0.16047
     Eigenvalues ---    0.16070   0.16109   0.16168   0.16188   0.17986
     Eigenvalues ---    0.19418   0.20364   0.21389   0.21995   0.21999
     Eigenvalues ---    0.21999   0.22000   0.22002   0.22164   0.22252
     Eigenvalues ---    0.22345   0.22455   0.22537   0.22588   0.22599
     Eigenvalues ---    0.22612   0.22615   0.22657   0.22699   0.22907
     Eigenvalues ---    0.23259   0.23454   0.23487   0.23750   0.24149
     Eigenvalues ---    0.24401   0.24446   0.24482   0.24491   0.24525
     Eigenvalues ---    0.24542   0.24586   0.24731   0.24822   0.24900
     Eigenvalues ---    0.24915   0.24962   0.24977   0.24979   0.24984
     Eigenvalues ---    0.24987   0.24990   0.25002   0.25043   0.25149
     Eigenvalues ---    0.25238   0.25772   0.25984   0.26539   0.27148
     Eigenvalues ---    0.27260   0.28139   0.28743   0.28847   0.29132
     Eigenvalues ---    0.29296   0.29332   0.29660   0.29840   0.30228
     Eigenvalues ---    0.30494   0.30660   0.30724   0.30851   0.30951
     Eigenvalues ---    0.31130   0.31182   0.31270   0.31412   0.31529
     Eigenvalues ---    0.31590   0.31687   0.32136   0.32232   0.32532
     Eigenvalues ---    0.33136   0.33382   0.33555   0.33964   0.34044
     Eigenvalues ---    0.34233   0.34496   0.34669   0.34937   0.35151
     Eigenvalues ---    0.35193   0.35453   0.35546   0.35852   0.36098
     Eigenvalues ---    0.36392   0.36780   0.37165   0.37309   0.39034
     Eigenvalues ---    0.39847   0.41435   0.41555   0.42060   0.42750
     Eigenvalues ---    0.43257   0.43451   0.43830   0.45272   0.45797
     Eigenvalues ---    0.47074   0.47098   0.47127   0.47219   0.47662
     Eigenvalues ---    0.47829   0.49589   0.49807   0.50112   0.50458
     Eigenvalues ---    0.50605   0.51141   0.51684   0.52039   0.52081
     Eigenvalues ---    0.52250   0.52639   0.53031   0.53129   0.53332
     Eigenvalues ---    0.53411   0.53805   0.54296   0.54347   0.55028
     Eigenvalues ---    0.55302   0.55618   0.55700   0.55833   0.56030
     Eigenvalues ---    0.56181   0.56252   0.56462   0.56669   0.56802
     Eigenvalues ---    0.56942   0.57221   0.57278   0.57914   0.58233
     Eigenvalues ---    0.58286   0.58315   0.58337   0.58504   0.58657
     Eigenvalues ---    0.58923   0.59111   0.59469   0.59719   0.59808
     Eigenvalues ---    0.60051   0.60613   0.60881   0.61378   0.61991
     Eigenvalues ---    0.63253   0.63502   0.64074   0.64948   0.65142
     Eigenvalues ---    0.65883   0.66758   0.67798   0.68863   0.72071
     Eigenvalues ---    0.73104   0.74574   0.77267   0.80509   0.81145
     Eigenvalues ---    0.85575   1.05739   4.98303
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    37   36   35   34   33   32   31   30   29   28
 RFO step:  Lambda=-1.50508619D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 RFO-DIIS uses    6 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -1.99515   -0.62487    1.09378   -0.48693
                  RFO-DIIS coefs:    0.01317    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00763381 RMS(Int)=  0.00003430
 Iteration  2 RMS(Cart)=  0.00005689 RMS(Int)=  0.00000050
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000050
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63953   0.00000   0.00003  -0.00004  -0.00001   2.63952
    R2        2.65456  -0.00002   0.00007   0.00001   0.00009   2.65465
    R3        2.67499   0.00002  -0.00011   0.00004  -0.00007   2.67492
    R4        2.64603   0.00000   0.00005  -0.00001   0.00004   2.64607
    R5        2.04658  -0.00001  -0.00010   0.00008  -0.00002   2.04656
    R6        2.66484   0.00001   0.00005  -0.00006  -0.00001   2.66483
    R7        2.78773  -0.00001  -0.00018   0.00000  -0.00018   2.78755
    R8        2.64823  -0.00001   0.00007  -0.00005   0.00001   2.64824
    R9        2.77971   0.00006  -0.00005   0.00013   0.00009   2.77979
   R10        2.62075   0.00001   0.00002  -0.00002   0.00000   2.62075
   R11        2.04806  -0.00000   0.00003  -0.00003   0.00001   2.04807
   R12        2.04880  -0.00000  -0.00004   0.00002  -0.00003   2.04878
   R13        2.67783   0.00001   0.00005  -0.00002   0.00002   2.67785
   R14        2.64536   0.00001   0.00006  -0.00003   0.00003   2.64539
   R15        2.83272  -0.00022  -0.00038  -0.00000  -0.00038   2.83233
   R16        2.64732   0.00003   0.00017  -0.00003   0.00014   2.64745
   R17        2.83895  -0.00000  -0.00027   0.00010  -0.00017   2.83878
   R18        2.68839  -0.00023  -0.00004  -0.00001  -0.00005   2.68833
   R19        2.43511  -0.00004   0.00012  -0.00006   0.00006   2.43517
   R20        2.63759  -0.00000  -0.00001  -0.00005  -0.00006   2.63753
   R21        2.04591  -0.00000  -0.00003   0.00005   0.00002   2.04593
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   A126       2.07761  -0.00000  -0.00002   0.00004   0.00002   2.07763
   A127       2.08528   0.00000   0.00004  -0.00004  -0.00000   2.08528
   A128       2.10453   0.00000   0.00003  -0.00001   0.00001   2.10454
   A129       2.08710  -0.00000  -0.00001   0.00001   0.00000   2.08710
   A130       2.09153  -0.00000  -0.00002   0.00000  -0.00002   2.09152
   A131       2.07901  -0.00000  -0.00001   0.00002   0.00000   2.07902
   A132       2.10058   0.00000   0.00002  -0.00002   0.00001   2.10058
   A133       2.10358  -0.00000  -0.00001   0.00000  -0.00001   2.10357
   A134       2.08025  -0.00000   0.00000   0.00001   0.00001   2.08026
   A135       2.09962   0.00000  -0.00002  -0.00001  -0.00003   2.09959
   A136       2.10331   0.00000   0.00001   0.00001   0.00002   2.10333
   A137       2.10345   0.00000  -0.00001  -0.00001  -0.00002   2.10343
   A138       2.09215  -0.00000  -0.00001   0.00003   0.00002   2.09216
   A139       2.08759   0.00000   0.00002  -0.00001   0.00000   2.08759
   A140       2.11899   0.00000  -0.00001   0.00001  -0.00000   2.11899
   A141       2.08815  -0.00000   0.00007  -0.00002   0.00004   2.08819
   A142       2.07604   0.00000  -0.00006   0.00002  -0.00004   2.07600
   A143       2.05694  -0.00000  -0.00000   0.00003   0.00002   2.05697
   A144       2.12039  -0.00000   0.00009  -0.00003   0.00006   2.12045
   A145       2.10583   0.00000  -0.00009   0.00000  -0.00009   2.10574
   A146       2.05470  -0.00001  -0.00003   0.00003   0.00000   2.05470
   A147       2.11961  -0.00000   0.00005  -0.00005   0.00000   2.11962
   A148       2.10882   0.00001  -0.00002   0.00001  -0.00001   2.10881
   A149       2.12016  -0.00000   0.00001  -0.00002  -0.00001   2.12014
   A150       2.07739   0.00000  -0.00003   0.00001  -0.00002   2.07737
   A151       2.08563  -0.00000   0.00002   0.00001   0.00003   2.08566
   A152       2.10368   0.00000   0.00001   0.00000   0.00001   2.10369
   A153       2.08743   0.00000  -0.00002   0.00002   0.00000   2.08743
   A154       2.09205  -0.00001   0.00001  -0.00002  -0.00001   2.09204
   A155       2.07945  -0.00000  -0.00003   0.00003  -0.00000   2.07945
   A156       2.10009   0.00000  -0.00003   0.00003   0.00000   2.10009
   A157       2.10362  -0.00000   0.00006  -0.00006  -0.00000   2.10362
   A158       2.08001  -0.00000  -0.00001  -0.00000  -0.00001   2.08000
   A159       2.10016   0.00000  -0.00002  -0.00000  -0.00003   2.10013
   A160       2.10301  -0.00000   0.00003   0.00000   0.00003   2.10304
   A161       2.10431   0.00000  -0.00004   0.00003  -0.00002   2.10429
   A162       2.09175  -0.00000   0.00005  -0.00005   0.00001   2.09176
   A163       2.08711  -0.00000  -0.00001   0.00002   0.00001   2.08712
   A164       2.11953  -0.00000   0.00003  -0.00002   0.00001   2.11955
   A165       2.08512   0.00000   0.00002  -0.00001   0.00001   2.08513
   A166       2.07852  -0.00000  -0.00005   0.00003  -0.00003   2.07850
   A167       2.05460  -0.00000   0.00003  -0.00003   0.00001   2.05460
   A168       2.11751  -0.00000   0.00006  -0.00004   0.00002   2.11753
   A169       2.11104   0.00000  -0.00010   0.00007  -0.00003   2.11101
   A170       2.05407   0.00000   0.00003  -0.00002   0.00001   2.05407
   A171       2.11791  -0.00000   0.00008  -0.00003   0.00005   2.11796
   A172       2.11120  -0.00000  -0.00011   0.00005  -0.00006   2.11114
   A173       2.11988  -0.00000   0.00003  -0.00001   0.00002   2.11990
   A174       2.07808   0.00000  -0.00004   0.00001  -0.00003   2.07805
   A175       2.08523  -0.00000   0.00002  -0.00000   0.00001   2.08524
   A176       2.10435   0.00000  -0.00003   0.00001  -0.00001   2.10434
   A177       2.08706  -0.00000   0.00002  -0.00001   0.00000   2.08706
   A178       2.09177   0.00000   0.00001  -0.00000   0.00001   2.09177
   A179       2.07965  -0.00000  -0.00001   0.00001  -0.00001   2.07964
   A180       2.10031   0.00000   0.00001  -0.00002  -0.00001   2.10030
   A181       2.10322  -0.00000   0.00001   0.00001   0.00002   2.10324
   A182       2.01468  -0.00011  -0.00062   0.00044  -0.00018   2.01450
   A183       1.84224  -0.00036  -0.00018   0.00011  -0.00006   1.84218
   A184       1.71652   0.00015   0.00000   0.00042   0.00042   1.71694
   A185       2.02549   0.00003  -0.00001   0.00004   0.00003   2.02551
   A186       2.04065   0.00014   0.00073  -0.00055   0.00018   2.04082
   A187       1.78364   0.00015   0.00009  -0.00045  -0.00036   1.78328
   A188       2.12159  -0.00091   0.00128  -0.00023   0.00104   2.12263
   A189       2.08122   0.00019   0.00241  -0.00080   0.00161   2.08284
   A190       1.89945   0.00018   0.00090   0.00020   0.00110   1.90055
   A191       1.90499  -0.00058  -0.00003  -0.00043  -0.00046   1.90453
   A192       1.84558   0.00016  -0.00037  -0.00002  -0.00039   1.84519
   A193       1.95205   0.00030  -0.00027   0.00035   0.00008   1.95213
   A194       1.95339  -0.00010  -0.00003  -0.00015  -0.00018   1.95321
   A195       1.90486   0.00001  -0.00019   0.00003  -0.00016   1.90470
   A196       1.90753   0.00002  -0.00005  -0.00002  -0.00007   1.90746
   A197       1.94045  -0.00001  -0.00007  -0.00012  -0.00019   1.94026
   A198       1.93094  -0.00002   0.00018  -0.00008   0.00011   1.93105
   A199       1.89162  -0.00000  -0.00003  -0.00000  -0.00003   1.89159
   A200       1.88949   0.00001  -0.00011   0.00008  -0.00003   1.88947
   A201       1.90268   0.00001   0.00007   0.00014   0.00021   1.90289
   A202       1.94616   0.00014  -0.00070  -0.00031  -0.00101   1.94515
   A203       1.82126   0.00001   0.00004   0.00078   0.00083   1.82209
   A204       1.90386  -0.00006   0.00081  -0.00007   0.00073   1.90459
   A205       1.94875  -0.00012  -0.00015   0.00013  -0.00001   1.94874
   A206       1.95209   0.00001  -0.00052  -0.00025  -0.00077   1.95133
   A207       1.88619   0.00003   0.00061  -0.00023   0.00039   1.88657
   A208       1.91128  -0.00004   0.00042  -0.00029   0.00013   1.91141
   A209       1.93240   0.00012  -0.00091   0.00056  -0.00034   1.93206
   A210       1.93091   0.00001   0.00043  -0.00006   0.00036   1.93128
   A211       1.89912  -0.00002  -0.00057   0.00012  -0.00045   1.89868
   A212       1.88780   0.00001   0.00006   0.00004   0.00010   1.88790
   A213       1.90149  -0.00008   0.00057  -0.00038   0.00019   1.90168
   A214       2.19956  -0.00086  -0.00227  -0.00441  -0.00668   2.19287
    D1       -0.00176  -0.00000  -0.00042   0.00021  -0.00021  -0.00197
    D2        3.11538  -0.00000  -0.00060   0.00059  -0.00001   3.11537
    D3        3.13226   0.00000  -0.00071   0.00041  -0.00030   3.13196
    D4       -0.03378   0.00001  -0.00090   0.00079  -0.00011  -0.03389
    D5       -0.03723  -0.00000   0.00046  -0.00027   0.00019  -0.03704
    D6        3.10775   0.00001   0.00006   0.00001   0.00006   3.10781
    D7        3.11196  -0.00001   0.00076  -0.00047   0.00029   3.11225
    D8       -0.02624  -0.00000   0.00035  -0.00019   0.00016  -0.02608
    D9        2.26422  -0.00002   0.00270  -0.00066   0.00204   2.26626
   D10       -0.87369  -0.00002   0.00212  -0.00068   0.00145  -0.87224
   D11       -0.88499  -0.00001   0.00241  -0.00047   0.00194  -0.88305
   D12        2.26028  -0.00001   0.00183  -0.00048   0.00135   2.26163
   D13        0.05525   0.00000  -0.00018   0.00015  -0.00003   0.05522
   D14       -2.99121  -0.00002  -0.00013   0.00007  -0.00007  -2.99127
   D15       -3.06144  -0.00000   0.00001  -0.00024  -0.00023  -3.06167
   D16        0.17530  -0.00002   0.00005  -0.00032  -0.00027   0.17503
   D17       -0.07016   0.00000   0.00072  -0.00044   0.00028  -0.06988
   D18        3.04090  -0.00001   0.00024   0.00007   0.00031   3.04121
   D19        2.98067   0.00002   0.00068  -0.00037   0.00032   2.98099
   D20       -0.19145   0.00001   0.00020   0.00014   0.00035  -0.19111
   D21       -2.92000   0.00003  -0.00013   0.00008  -0.00004  -2.92005
   D22        0.34055   0.00003  -0.00041   0.00021  -0.00020   0.34035
   D23        0.31599   0.00001  -0.00008  -0.00000  -0.00008   0.31591
   D24       -2.70664   0.00001  -0.00036   0.00013  -0.00024  -2.70688
   D25        0.03224  -0.00001  -0.00068   0.00038  -0.00030   0.03195
   D26       -3.11247  -0.00000  -0.00040   0.00025  -0.00015  -3.11262
   D27       -3.07879   0.00001  -0.00020  -0.00013  -0.00033  -3.07912
   D28        0.05968   0.00001   0.00009  -0.00027  -0.00018   0.05950
   D29       -0.35486   0.00003  -0.00043  -0.00021  -0.00064  -0.35550
   D30        2.85719   0.00007  -0.00145   0.00007  -0.00138   2.85581
   D31        2.75609   0.00002  -0.00091   0.00030  -0.00061   2.75548
   D32       -0.31505   0.00005  -0.00193   0.00058  -0.00135  -0.31640
   D33        0.02189   0.00000   0.00009  -0.00003   0.00006   0.02195
   D34       -3.12312  -0.00000   0.00050  -0.00031   0.00019  -3.12293
   D35       -3.11651   0.00000  -0.00020   0.00012  -0.00009  -3.11659
   D36        0.02167  -0.00001   0.00020  -0.00016   0.00004   0.02171
   D37        0.12367  -0.00003   0.00018  -0.00004   0.00014   0.12381
   D38       -2.91786  -0.00002   0.00008   0.00025   0.00033  -2.91753
   D39       -3.13534  -0.00003   0.00047  -0.00018   0.00029  -3.13505
   D40        0.10632  -0.00001   0.00037   0.00011   0.00048   0.10680
   D41        2.97463   0.00001   0.00033  -0.00050  -0.00017   2.97446
   D42       -0.13013   0.00001   0.00035  -0.00037  -0.00003  -0.13016
   D43       -0.04914   0.00000   0.00004  -0.00036  -0.00032  -0.04946
   D44        3.12929   0.00001   0.00006  -0.00024  -0.00017   3.12911
   D45       -0.64018   0.00003  -0.00037   0.00000  -0.00037  -0.64055
   D46       -3.03391  -0.00000  -0.00059   0.00034  -0.00025  -3.03416
   D47        2.39716   0.00002  -0.00027  -0.00030  -0.00057   2.39659
   D48        0.00344  -0.00002  -0.00049   0.00003  -0.00046   0.00298
   D49       -0.08488   0.00001  -0.00030   0.00002  -0.00028  -0.08516
   D50        2.99703   0.00000  -0.00037  -0.00017  -0.00054   2.99649
   D51       -3.12226   0.00002  -0.00039   0.00031  -0.00008  -3.12234
   D52       -0.04034   0.00002  -0.00046   0.00012  -0.00035  -0.04069
   D53        0.75055  -0.00003   0.00053   0.00008   0.00061   0.75116
   D54       -2.46535  -0.00008   0.00159  -0.00021   0.00138  -2.46397
   D55       -3.12169   0.00004   0.00089  -0.00028   0.00061  -3.12108
   D56       -0.05441  -0.00001   0.00194  -0.00056   0.00138  -0.05303
   D57        2.42782   0.00007   0.00002  -0.00063  -0.00061   2.42721
   D58       -1.09290   0.00000   0.00116  -0.00054   0.00062  -1.09228
   D59        0.06536  -0.00001  -0.00018  -0.00025  -0.00043   0.06494
   D60        2.82783  -0.00007   0.00096  -0.00016   0.00080   2.82863
   D61        3.09077  -0.00003  -0.00057   0.00045  -0.00012   3.09065
   D62        0.02571   0.00002  -0.00166   0.00075  -0.00092   0.02479
   D63       -0.03278   0.00001  -0.00054   0.00047  -0.00007  -0.03284
   D64       -3.13184   0.00000  -0.00032   0.00040   0.00008  -3.13176
   D65        3.07256   0.00000  -0.00056   0.00035  -0.00021   3.07235
   D66       -0.02650   0.00000  -0.00034   0.00028  -0.00006  -0.02656
   D67        0.05606  -0.00001   0.00062  -0.00034   0.00027   0.05634
   D68       -3.05555  -0.00000   0.00015   0.00010   0.00025  -3.05530
   D69       -3.12816  -0.00000   0.00039  -0.00027   0.00012  -3.12804
   D70        0.04341   0.00000  -0.00007   0.00017   0.00009   0.04350
   D71       -2.23744  -0.00000  -0.00179   0.00014  -0.00165  -2.23909
   D72        0.88918   0.00000  -0.00016   0.00006  -0.00010   0.88908
   D73        0.94725  -0.00000  -0.00156   0.00006  -0.00150   0.94575
   D74       -2.20932  -0.00000   0.00007  -0.00001   0.00005  -2.20927
   D75        0.00331  -0.00000  -0.00020   0.00010  -0.00010   0.00321
   D76       -3.07991   0.00001  -0.00012   0.00029   0.00017  -3.07974
   D77        3.11478  -0.00001   0.00026  -0.00034  -0.00007   3.11470
   D78        0.03156   0.00000   0.00034  -0.00015   0.00019   0.03175
   D79       -0.05324   0.00001  -0.00165   0.00082  -0.00083  -0.05407
   D80        3.13361   0.00002  -0.00041  -0.00024  -0.00065   3.13296
   D81       -2.80952   0.00007  -0.00280   0.00064  -0.00216  -2.81168
   D82        0.37733   0.00007  -0.00155  -0.00043  -0.00198   0.37535
   D83        0.16332  -0.00004  -0.00329   0.00136  -0.00193   0.16139
   D84       -2.09826   0.00030  -0.00265   0.00088  -0.00178  -2.10004
   D85        2.34855   0.00018  -0.00271   0.00119  -0.00152   2.34703
   D86        2.92516  -0.00007  -0.00224   0.00154  -0.00069   2.92447
   D87        0.66358   0.00028  -0.00160   0.00106  -0.00054   0.66304
   D88       -1.17279   0.00015  -0.00166   0.00138  -0.00028  -1.17307
   D89        0.02336  -0.00001   0.00207  -0.00068   0.00139   0.02475
   D90       -3.09844  -0.00001   0.00112  -0.00040   0.00072  -3.09773
   D91        3.12213  -0.00001   0.00089   0.00033   0.00122   3.12335
   D92        0.00032  -0.00001  -0.00006   0.00061   0.00055   0.00087
   D93        3.11849   0.00000  -0.00098   0.00016  -0.00081   3.11768
   D94       -0.02811   0.00000  -0.00197   0.00074  -0.00122  -0.02933
   D95        0.02168   0.00000   0.00025  -0.00088  -0.00063   0.02104
   D96       -3.12492   0.00001  -0.00074  -0.00030  -0.00105  -3.12597
   D97       -0.00941  -0.00001  -0.00039  -0.00012  -0.00050  -0.00991
   D98        3.11311  -0.00001   0.00053  -0.00039   0.00015   3.11325
   D99       -0.01996   0.00001   0.00007  -0.00006   0.00001  -0.01995
   D100       3.11427   0.00001  -0.00009   0.00003  -0.00006   3.11421
   D101       3.14027   0.00001  -0.00083   0.00020  -0.00063   3.13965
   D102      -0.00868   0.00001  -0.00098   0.00030  -0.00069  -0.00937
   D103      -0.02474   0.00000  -0.00044   0.00061   0.00017  -0.02458
   D104       3.11325   0.00001  -0.00077   0.00094   0.00017   3.11342
   D105       3.12175  -0.00000   0.00052   0.00004   0.00056   3.12231
   D106      -0.02345   0.00001   0.00020   0.00037   0.00057  -0.02288
   D107       0.00486  -0.00000   0.00044  -0.00004   0.00040   0.00527
   D108      -3.13744  -0.00001   0.00024  -0.00022   0.00002  -3.13742
   D109      -3.13312  -0.00001   0.00076  -0.00036   0.00040  -3.13273
   D110       0.00775  -0.00001   0.00056  -0.00055   0.00002   0.00777
   D111       0.01727   0.00000  -0.00025  -0.00023  -0.00048   0.01679
   D112      -3.11667  -0.00000  -0.00010  -0.00033  -0.00042  -3.11709
   D113      -3.12360   0.00000  -0.00005  -0.00005  -0.00010  -3.12370
   D114       0.02564  -0.00000   0.00010  -0.00014  -0.00004   0.02560
   D115      -2.17836   0.00001  -0.00135   0.00046  -0.00089  -2.17924
   D116       0.95475  -0.00000  -0.00358   0.00013  -0.00345   0.95131
   D117       0.96250   0.00001  -0.00155   0.00028  -0.00128   0.96122
   D118      -2.18757  -0.00000  -0.00378  -0.00005  -0.00384  -2.19141
   D119      -3.14082  -0.00000  -0.00037  -0.00009  -0.00046  -3.14128
   D120      -0.04158   0.00001  -0.00123   0.00012  -0.00111  -0.04269
   D121      -0.00237   0.00000   0.00012  -0.00008   0.00004  -0.00233
   D122       3.09687   0.00001  -0.00074   0.00013  -0.00061   3.09626
   D123      -3.14135   0.00000   0.00037   0.00005   0.00042  -3.14093
   D124      -0.03633   0.00000   0.00014   0.00006   0.00020  -0.03613
   D125       0.00338  -0.00000  -0.00012   0.00004  -0.00008   0.00330
   D126       3.10841   0.00000  -0.00036   0.00005  -0.00031   3.10810
   D127       3.12670   0.00000   0.00118  -0.00000   0.00117   3.12787
   D128       0.02317  -0.00000   0.00137  -0.00005   0.00132   0.02450
   D129      -0.00214  -0.00000  -0.00021   0.00006  -0.00014  -0.00229
   D130      -3.10567  -0.00000  -0.00001   0.00002   0.00001  -3.10566
   D131      -3.12792  -0.00000  -0.00118   0.00001  -0.00117  -3.12908
   D132       0.05762  -0.00000  -0.00110  -0.00008  -0.00118   0.05644
   D133       0.00084   0.00000   0.00021  -0.00005   0.00016   0.00100
   D134      -3.09681  -0.00000   0.00029  -0.00014   0.00015  -3.09666
   D135       3.13186  -0.00001  -0.00157  -0.00029  -0.00186   3.13000
   D136       0.01979  -0.00001  -0.00116  -0.00054  -0.00170   0.01809
   D137      -0.00248   0.00000   0.00034  -0.00001   0.00033  -0.00215
   D138      -3.11455   0.00000   0.00074  -0.00026   0.00049  -3.11406
   D139      -3.13297   0.00001   0.00156   0.00033   0.00189  -3.13109
   D140       0.03990   0.00001   0.00232   0.00021   0.00254   0.04244
   D141       0.00137  -0.00000  -0.00035   0.00005  -0.00030   0.00107
   D142      -3.10894  -0.00000   0.00042  -0.00007   0.00035  -3.10859
   D143       0.00258   0.00000   0.00012  -0.00005   0.00007   0.00265
   D144      -3.12812   0.00000   0.00009   0.00001   0.00010  -3.12802
   D145       3.10962   0.00000  -0.00006  -0.00001  -0.00007   3.10955
   D146      -0.02108   0.00000  -0.00009   0.00005  -0.00004  -0.02112
   D147       3.11971   0.00000  -0.00006  -0.00003  -0.00009   3.11963
   D148      -0.01112   0.00000   0.00003  -0.00008  -0.00005  -0.01117
   D149       0.02044  -0.00000   0.00016  -0.00008   0.00008   0.02052
   D150      -3.11040  -0.00000   0.00025  -0.00013   0.00012  -3.11028
   D151      -0.00203  -0.00000   0.00001   0.00002   0.00003  -0.00200
   D152       3.12381  -0.00000  -0.00016   0.00020   0.00004   3.12385
   D153       3.12648   0.00000   0.00004  -0.00005  -0.00001   3.12648
   D154      -0.03086  -0.00000  -0.00013   0.00013   0.00001  -0.03085
   D155       0.00637  -0.00000  -0.00002  -0.00005  -0.00007   0.00630
   D156      -3.14122  -0.00000   0.00008  -0.00020  -0.00012  -3.14134
   D157      -3.12084  -0.00000  -0.00006   0.00002  -0.00003  -3.12088
   D158       0.01475  -0.00000   0.00005  -0.00013  -0.00008   0.01467
   D159       0.00075  -0.00000  -0.00014   0.00002  -0.00012   0.00064
   D160       3.10262   0.00000  -0.00021   0.00010  -0.00011   3.10252
   D161      -3.12771   0.00000   0.00000  -0.00013  -0.00013  -3.12783
   D162      -0.02584   0.00000  -0.00007  -0.00005  -0.00012  -0.02595
   D163      -3.11612  -0.00000   0.00015  -0.00011   0.00003  -3.11609
   D164       0.01903   0.00000   0.00032  -0.00025   0.00008   0.01911
   D165       0.00815  -0.00000  -0.00004   0.00009   0.00005   0.00820
   D166      -3.13988   0.00000   0.00014  -0.00005   0.00009  -3.13979
   D167       3.11721  -0.00000   0.00016  -0.00004   0.00012   3.11733
   D168      -0.01001   0.00000  -0.00065   0.00077   0.00012  -0.00989
   D169       0.02440  -0.00000   0.00024  -0.00014   0.00010   0.02450
   D170      -3.10283   0.00000  -0.00056   0.00067   0.00011  -3.10272
   D171       0.00048  -0.00000  -0.00007   0.00008   0.00001   0.00049
   D172       3.12739   0.00000  -0.00041  -0.00008  -0.00049   3.12690
   D173      -3.10282  -0.00001   0.00071  -0.00011   0.00060  -3.10222
   D174       0.02410  -0.00000   0.00037  -0.00027   0.00010   0.02420
   D175      -3.11793  -0.00000   0.00046   0.00009   0.00056  -3.11738
   D176       0.01212  -0.00000   0.00029   0.00021   0.00051   0.01263
   D177      -0.02334   0.00000  -0.00049   0.00032  -0.00017  -0.02351
   D178       3.10672   0.00001  -0.00066   0.00045  -0.00022   3.10650
   D179       0.00157   0.00000  -0.00000  -0.00006  -0.00006   0.00151
   D180      -3.12962  -0.00000   0.00037  -0.00017   0.00020  -3.12942
   D181      -3.12245  -0.00000   0.00040   0.00014   0.00053  -3.12192
   D182       0.02955  -0.00001   0.00077   0.00002   0.00079   0.03034
   D183      -0.00724   0.00000   0.00001   0.00003   0.00003  -0.00720
   D184       3.14107  -0.00000   0.00007  -0.00002   0.00005   3.14112
   D185       3.11502   0.00001  -0.00043  -0.00019  -0.00062   3.11440
   D186      -0.01985   0.00000  -0.00037  -0.00024  -0.00060  -0.02045
   D187      -0.00305   0.00000   0.00008   0.00001   0.00009  -0.00296
   D188      -3.11166  -0.00000   0.00029   0.00000   0.00029  -3.11137
   D189       3.12985   0.00000  -0.00023   0.00011  -0.00013   3.12972
   D190       0.02124   0.00000  -0.00002   0.00010   0.00007   0.02131
   D191       3.12589   0.00000  -0.00032   0.00014  -0.00017   3.12572
   D192      -0.01264   0.00000  -0.00025   0.00002  -0.00023  -0.01287
   D193      -0.00425  -0.00000   0.00009   0.00002   0.00011  -0.00414
   D194       3.14040  -0.00000   0.00016  -0.00011   0.00005   3.14046
   D195      -3.12429  -0.00000   0.00026  -0.00020   0.00006  -3.12422
   D196       0.01029  -0.00000  -0.00015   0.00013  -0.00002   0.01027
   D197      -0.02323  -0.00000   0.00000  -0.00019  -0.00019  -0.02341
   D198       3.11135   0.00000  -0.00041   0.00014  -0.00027   3.11108
   D199       0.00259  -0.00000  -0.00020  -0.00004  -0.00023   0.00235
   D200      -3.13011  -0.00000   0.00001   0.00007   0.00007  -3.13004
   D201       3.11741  -0.00000  -0.00056   0.00019  -0.00037   3.11704
   D202      -0.01529  -0.00000  -0.00036   0.00029  -0.00006  -0.01535
   D203       3.12318   0.00000  -0.00020   0.00021   0.00001   3.12319
   D204      -0.01476   0.00000   0.00003   0.00006   0.00009  -0.01467
   D205       0.01438  -0.00000   0.00024  -0.00006   0.00018   0.01457
   D206      -3.12355   0.00000   0.00048  -0.00022   0.00026  -3.12329
   D207      -0.00172   0.00000  -0.00001   0.00006   0.00005  -0.00167
   D208       3.12738   0.00000  -0.00026  -0.00012  -0.00038   3.12699
   D209       3.12919   0.00000  -0.00026  -0.00006  -0.00032   3.12887
   D210      -0.02491   0.00000  -0.00050  -0.00025  -0.00075  -0.02566
   D211       0.00504   0.00000   0.00022  -0.00038  -0.00016   0.00488
   D212      -3.14061   0.00000   0.00005  -0.00009  -0.00004  -3.14065
   D213      -3.12480   0.00000   0.00049  -0.00024   0.00025  -3.12456
   D214       0.01273   0.00000   0.00032   0.00005   0.00037   0.01310
   D215       0.00023   0.00000   0.00022  -0.00007   0.00015   0.00039
   D216       3.11347   0.00000  -0.00047   0.00003  -0.00044   3.11304
   D217      -3.13096  -0.00000   0.00043   0.00008   0.00051  -3.13045
   D218      -0.01772  -0.00000  -0.00026   0.00019  -0.00008  -0.01780
   D219      -3.12248  -0.00000   0.00028   0.00017   0.00045  -3.12203
   D220       0.01388  -0.00000   0.00011   0.00042   0.00053   0.01441
   D221       0.00537   0.00000   0.00001  -0.00003  -0.00002   0.00535
   D222      -3.14146   0.00000  -0.00016   0.00021   0.00006  -3.14140
   D223       3.12400   0.00000  -0.00052  -0.00006  -0.00058   3.12342
   D224      -0.00904   0.00000  -0.00044  -0.00013  -0.00058  -0.00961
   D225       0.01715  -0.00000   0.00033  -0.00019   0.00014   0.01729
   D226      -3.11589   0.00000   0.00041  -0.00026   0.00015  -3.11574
   D227       0.00981   0.00000  -0.00004   0.00006   0.00003   0.00984
   D228      -3.14051  -0.00000   0.00027  -0.00025   0.00002  -3.14049
   D229      -3.12533  -0.00000  -0.00021   0.00020  -0.00001  -3.12535
   D230       0.00754  -0.00000   0.00009  -0.00012  -0.00002   0.00751
   D231      -0.01107   0.00000   0.00022  -0.00026  -0.00004  -0.01111
   D232       3.12162   0.00000   0.00025  -0.00030  -0.00005   3.12157
   D233       3.13922   0.00000  -0.00008   0.00005  -0.00003   3.13919
   D234      -0.01127   0.00000  -0.00006   0.00002  -0.00004  -0.01131
   D235      -0.00604   0.00000  -0.00032   0.00030  -0.00002  -0.00606
   D236       3.12128  -0.00000   0.00048  -0.00051  -0.00003   3.12124
   D237      -3.13877  -0.00000  -0.00034   0.00033  -0.00001  -3.13878
   D238      -0.01146  -0.00000   0.00046  -0.00048  -0.00002  -0.01148
   D239      -0.00575  -0.00000  -0.00012   0.00011  -0.00001  -0.00576
   D240       3.14123   0.00000  -0.00007   0.00013   0.00007   3.14129
   D241       3.12513  -0.00000  -0.00021   0.00017  -0.00005   3.12509
   D242      -0.01107   0.00000  -0.00016   0.00019   0.00003  -0.01104
   D243      -0.00841   0.00000   0.00001  -0.00011  -0.00011  -0.00852
   D244       3.14049   0.00000   0.00012  -0.00009   0.00003   3.14051
   D245       3.12777   0.00000  -0.00004  -0.00014  -0.00018   3.12759
   D246      -0.00652  -0.00000   0.00007  -0.00011  -0.00005  -0.00656
   D247       0.00795  -0.00000   0.00006   0.00008   0.00014   0.00810
   D248      -3.12763   0.00000  -0.00004   0.00023   0.00019  -3.12744
   D249      -3.14096   0.00000  -0.00005   0.00006   0.00001  -3.14095
   D250       0.00664   0.00000  -0.00015   0.00021   0.00006   0.00669
   D251      -0.00978   0.00000  -0.00014  -0.00004  -0.00018  -0.00996
   D252       3.13588  -0.00000   0.00010  -0.00014  -0.00004   3.13584
   D253       3.12874   0.00000  -0.00021   0.00009  -0.00012   3.12862
   D254      -0.00878  -0.00000   0.00003  -0.00002   0.00002  -0.00877
   D255       0.00754  -0.00000   0.00012  -0.00006   0.00006   0.00760
   D256      -3.13712   0.00000   0.00008   0.00014   0.00021  -3.13691
   D257      -3.13811   0.00000  -0.00012   0.00005  -0.00007  -3.13818
   D258       0.00041   0.00000  -0.00016   0.00024   0.00008   0.00049
   D259       0.00892  -0.00000  -0.00005   0.00017   0.00012   0.00905
   D260      -3.12571  -0.00000   0.00036  -0.00015   0.00021  -3.12551
   D261      -3.12962  -0.00000  -0.00001  -0.00002  -0.00003  -3.12965
   D262       0.01893  -0.00001   0.00040  -0.00034   0.00005   0.01898
   D263       0.00647  -0.00000   0.00025  -0.00015   0.00010   0.00657
   D264      -3.14020  -0.00000   0.00009  -0.00005   0.00004  -3.14016
   D265      -3.12366  -0.00000   0.00042  -0.00027   0.00015  -3.12351
   D266       0.01285  -0.00000   0.00026  -0.00017   0.00009   0.01294
   D267       0.00983  -0.00000   0.00012  -0.00008   0.00003   0.00986
   D268      -3.13966  -0.00000   0.00016  -0.00018  -0.00002  -3.13968
   D269      -3.12667  -0.00000   0.00028  -0.00018   0.00010  -3.12657
   D270       0.00704  -0.00000   0.00032  -0.00028   0.00004   0.00708
   D271      -0.00927   0.00000  -0.00025   0.00014  -0.00010  -0.00937
   D272       3.12559   0.00000  -0.00031   0.00019  -0.00012   3.12548
   D273       3.14024   0.00000  -0.00029   0.00024  -0.00005   3.14019
   D274      -0.00808   0.00000  -0.00035   0.00029  -0.00007  -0.00815
   D275       0.00673  -0.00000   0.00016  -0.00011   0.00005   0.00678
   D276      -3.14078   0.00000   0.00005   0.00008   0.00012  -3.14066
   D277      -3.12962  -0.00000   0.00033  -0.00036  -0.00003  -3.12965
   D278       0.00605   0.00000   0.00022  -0.00017   0.00005   0.00610
   D279      -0.00717   0.00000  -0.00009   0.00011   0.00002  -0.00715
   D280       3.13013  -0.00000  -0.00012   0.00018   0.00005   3.13019
   D281       3.14033  -0.00000   0.00002  -0.00008  -0.00005   3.14027
   D282      -0.00555  -0.00000  -0.00001  -0.00001  -0.00002  -0.00557
   D283      -0.00475   0.00000  -0.00016   0.00004  -0.00011  -0.00487
   D284       3.12832  -0.00000  -0.00023   0.00011  -0.00012   3.12820
   D285       3.14111   0.00000  -0.00012  -0.00003  -0.00015   3.14096
   D286      -0.00900   0.00000  -0.00020   0.00005  -0.00015  -0.00916
   D287      -0.00370   0.00000  -0.00001  -0.00007  -0.00008  -0.00378
   D288       3.13935   0.00000  -0.00005   0.00008   0.00004   3.13939
   D289       3.13425  -0.00000  -0.00024   0.00008  -0.00016   3.13409
   D290      -0.00588   0.00000  -0.00028   0.00024  -0.00004  -0.00592
   D291      -0.00618  -0.00000  -0.00012  -0.00002  -0.00014  -0.00632
   D292       3.13890  -0.00000   0.00004  -0.00007  -0.00003   3.13887
   D293       3.13395  -0.00000  -0.00008  -0.00018  -0.00026   3.13369
   D294      -0.00415  -0.00000   0.00008  -0.00023  -0.00015  -0.00430
   D295       0.00539  -0.00000   0.00001   0.00025   0.00026   0.00565
   D296      -3.13214  -0.00000   0.00018  -0.00004   0.00014  -3.13200
   D297      -3.13970   0.00000  -0.00015   0.00031   0.00015  -3.13955
   D298       0.00595   0.00000   0.00001   0.00002   0.00003   0.00598
   D299       1.79561  -0.00036  -0.00619   0.00064  -0.00554   1.79007
   D300      -0.45963   0.00007  -0.00519  -0.00008  -0.00526  -0.46489
   D301      -2.70075  -0.00025  -0.00620   0.00098  -0.00523  -2.70598
   D302       3.10347  -0.00014   0.00275   0.00028   0.00303   3.10650
   D303      -1.01293  -0.00009   0.00237   0.00083   0.00320  -1.00974
   D304       1.21856   0.00016   0.00292   0.00014   0.00306   1.22162
   D305      -2.28421   0.00014   0.00892   0.00487   0.01380  -2.27041
   D306      -0.14942   0.00026   0.00914   0.00515   0.01429  -0.13513
   D307       1.89769   0.00007   0.00869   0.00496   0.01365   1.91135
   D308       1.50484   0.00019   0.01743  -0.00056   0.01687   1.52171
   D309      -2.67211   0.00012   0.01691  -0.00008   0.01682  -2.65529
   D310      -0.65981   0.00013   0.01799   0.00002   0.01801  -0.64179
   D311      -3.06847  -0.00021   0.00193   0.00058   0.00251  -3.06596
   D312      -0.98104  -0.00021   0.00182   0.00049   0.00230  -0.97874
   D313       1.13577  -0.00022   0.00199   0.00054   0.00252   1.13829
   D314       1.10864   0.00020   0.00155   0.00076   0.00231   1.11095
   D315      -3.08711   0.00020   0.00143   0.00067   0.00210  -3.08501
   D316      -0.97030   0.00019   0.00160   0.00072   0.00232  -0.96798
   D317      -1.03509   0.00003   0.00202   0.00058   0.00260  -1.03249
   D318       1.05234   0.00004   0.00190   0.00049   0.00240   1.05474
   D319      -3.11403   0.00003   0.00207   0.00054   0.00261  -3.11142
   D320      -0.95529   0.00015  -0.00750  -0.00373  -0.01123  -0.96652
   D321       1.14755   0.00017  -0.00657  -0.00355  -0.01012   1.13743
   D322      -2.96455   0.00027  -0.00694  -0.00348  -0.01042  -2.97497
   D323       3.09825  -0.00002   0.00201  -0.00019   0.00183   3.10007
   D324      -1.09083   0.00000   0.00101   0.00013   0.00114  -1.08969
   D325       1.01906  -0.00001   0.00141  -0.00002   0.00139   1.02046
   D326       1.06841  -0.00004   0.00250  -0.00105   0.00144   1.06986
   D327      -3.12066  -0.00002   0.00150  -0.00074   0.00076  -3.11991
   D328      -1.01077  -0.00003   0.00190  -0.00089   0.00101  -1.00976
   D329      -1.04776  -0.00000   0.00218  -0.00068   0.00149  -1.04627
   D330       1.04634   0.00002   0.00118  -0.00037   0.00081   1.04715
   D331      -3.12695   0.00001   0.00158  -0.00052   0.00106  -3.12589
         Item               Value     Threshold  Converged?
 Maximum Force            0.000912     0.000450     NO 
 RMS     Force            0.000076     0.000300     YES
 Maximum Displacement     0.074504     0.001800     NO 
 RMS     Displacement     0.007628     0.001200     NO 
 Predicted change in Energy=-6.832923D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.591212    3.246869    0.121608
      2          6           0       -2.751524    1.866418    0.261720
      3          6           0       -1.648876    1.004983    0.209038
      4          6           0       -0.357551    1.556444    0.078910
      5          6           0       -0.204495    2.940398   -0.079641
      6          6           0       -1.306889    3.781832   -0.072653
      7          6           0       -1.785595   -0.463153    0.166276
      8          6           0       -0.654495   -1.288626    0.383683
      9          6           0        0.630360   -0.647296    0.812944
     10          6           0        0.825918    0.685549    0.148159
     11          6           0       -2.993258   -1.051701   -0.227199
     12          6           0       -3.089840   -2.423538   -0.465472
     13          6           0       -1.944917   -3.219509   -0.345624
     14          6           0       -0.749226   -2.651116    0.071644
     15          7           0        1.787897   -1.469986    0.897177
     16          6           0        3.038962   -0.961605    0.434861
     17          6           0        3.079911    0.322905   -0.155563
     18          7           0        1.959568    1.124201   -0.279637
     19          6           0        4.234130   -1.696846    0.487738
     20          6           0        5.422078   -1.167989   -0.001200
     21          6           0        5.461372    0.104933   -0.589823
     22          6           0        4.282027    0.834328   -0.669224
     23          7           0       -3.720848    4.098679    0.166342
     24          7           0       -4.320105   -2.991607   -0.873931
     25          7           0        6.679224    0.631815   -1.089788
     26          6           0       -4.949973   -4.091157   -0.272711
     27          6           0       -6.167241   -4.349916   -0.950910
     28          6           0       -6.277350   -3.367652   -2.009724
     29          6           0       -5.123753   -2.546896   -1.933484
     30          6           0       -3.851533    5.248774    0.959764
     31          6           0       -5.124183    5.826618    0.724519
     32          6           0       -5.793245    4.991898   -0.251612
     33          6           0       -4.903180    3.936282   -0.572113
     34          6           0        7.252674    1.857695   -0.727656
     35          6           0        8.473092    2.019761   -1.431275
     36          6           0        8.642604    0.841942   -2.256606
     37          6           0        7.519506    0.008794   -2.020685
     38          6           0       -7.229688   -3.128762   -3.006937
     39          6           0       -7.019186   -2.093086   -3.912418
     40          6           0       -5.860110   -1.302838   -3.836411
     41          6           0       -4.896814   -1.518569   -2.852697
     42          6           0       -4.554557   -4.842384    0.837190
     43          6           0       -5.389885   -5.879926    1.245696
     44          6           0       -6.591764   -6.161851    0.574663
     45          6           0       -6.987596   -5.398576   -0.519483
     46          6           0       -7.043669    5.055869   -0.876719
     47          6           0       -7.387621    4.080606   -1.807942
     48          6           0       -6.487812    3.050378   -2.127264
     49          6           0       -5.236027    2.965967   -1.521446
     50          6           0       -2.964862    5.790618    1.894368
     51          6           0       -3.361211    6.941340    2.572560
     52          6           0       -4.610924    7.538032    2.336639
     53          6           0       -5.497542    6.982658    1.419177
     54          6           0        9.623669    0.434664   -3.167922
     55          6           0        9.472294   -0.780096   -3.829903
     56          6           0        8.345786   -1.586407   -3.594933
     57          6           0        7.354621   -1.205256   -2.693072
     58          6           0        6.802067    2.813337    0.186878
     59          6           0        7.586289    3.949211    0.375495
     60          6           0        8.791998    4.132210   -0.322648
     61          6           0        9.241313    3.171123   -1.223067
     62          8           0        0.465756   -3.067641    2.693149
     63         15           0        1.769476   -2.799352    2.058871
     64          8           0        2.990995   -2.516162    3.054626
     65          8           0        2.367367   -3.950371    1.107231
     66          6           0        2.777046   -1.962081    4.396831
     67          6           0        3.709164   -0.784682    4.595756
     68          6           0        2.591677   -5.286046    1.653956
     69          6           0        1.343770   -6.144894    1.551035
     70          1           0       -3.746300    1.475075    0.435347
     71          1           0        0.795857    3.338107   -0.205054
     72          1           0       -1.185973    4.850071   -0.212860
     73          1           0       -3.870221   -0.437082   -0.386362
     74          1           0       -1.989541   -4.270920   -0.605817
     75          1           0        0.129581   -3.278622    0.098214
     76          1           0        4.252928   -2.686557    0.914629
     77          1           0        6.334803   -1.748505    0.076924
     78          1           0        4.252581    1.812741   -1.134222
     79          1           0       -8.118819   -3.748856   -3.075687
     80          1           0       -7.751398   -1.897617   -4.689630
     81          1           0       -5.703895   -0.510998   -4.563154
     82          1           0       -3.996886   -0.915046   -2.814386
     83          1           0       -3.636476   -4.622564    1.370456
     84          1           0       -5.104748   -6.478796    2.105537
     85          1           0       -7.218883   -6.978417    0.918787
     86          1           0       -7.923270   -5.609013   -1.029457
     87          1           0       -7.734815    5.859287   -0.638731
     88          1           0       -8.356838    4.116494   -2.295523
     89          1           0       -6.769183    2.299187   -2.859225
     90          1           0       -4.545419    2.174225   -1.787978
     91          1           0       -2.004960    5.329431    2.096711
     92          1           0       -2.688002    7.380968    3.302482
     93          1           0       -4.887994    8.435430    2.881044
     94          1           0       -6.469814    7.435591    1.247735
     95          1           0       10.489504    1.062256   -3.358698
     96          1           0       10.227045   -1.107074   -4.538377
     97          1           0        8.240445   -2.526022   -4.129263
     98          1           0        6.482390   -1.827813   -2.526956
     99          1           0        5.876510    2.677209    0.735051
    100          1           0        7.256111    4.707290    1.079540
    101          1           0        9.377926    5.030382   -0.153929
    102          1           0       10.177930    3.309498   -1.755571
    103          1           0        1.730338   -1.673421    4.501569
    104          1           0        2.995298   -2.777397    5.092233
    105          1           0        3.610505   -0.414500    5.621560
    106          1           0        4.751062   -1.073815    4.432219
    107          1           0        3.453694    0.028570    3.912301
    108          1           0        3.410296   -5.690977    1.054516
    109          1           0        2.939474   -5.196552    2.687977
    110          1           0        1.558884   -7.149652    1.929886
    111          1           0        0.529471   -5.714540    2.138031
    112          1           0        1.022097   -6.234743    0.509531
    113         17           0        0.310890    0.110573    2.770818
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351616           0.0181647           0.0142625
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10695.0808001637 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000312    0.000054   -0.000139 Ang=   0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48649401     A.U. after   10 cycles
            NFock= 10  Conv=0.36D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000036839    0.000011205   -0.000016242
      2        6           0.000047639   -0.000027214    0.000056547
      3        6          -0.000033595    0.000033128    0.000023010
      4        6          -0.000033400    0.000065957   -0.000008567
      5        6           0.000018511   -0.000039310   -0.000009608
      6        6          -0.000050578   -0.000009678   -0.000022540
      7        6          -0.000006051   -0.000054062    0.000008286
      8        6           0.000023964    0.000027719    0.000095647
      9        6           0.000068420   -0.000203159   -0.000025771
     10        6           0.000108846    0.000008202   -0.000108657
     11        6           0.000026500    0.000011929   -0.000018007
     12        6          -0.000008387   -0.000016462   -0.000004944
     13        6          -0.000057393    0.000006076    0.000005864
     14        6           0.000019325    0.000042438    0.000034210
     15        7          -0.000231714    0.000165281    0.000170507
     16        6          -0.000000231   -0.000078976   -0.000071322
     17        6           0.000086499   -0.000039572    0.000071938
     18        7          -0.000119364    0.000042245    0.000143279
     19        6           0.000047088   -0.000004520   -0.000067823
     20        6          -0.000040926    0.000013742    0.000035152
     21        6           0.000057544    0.000069567   -0.000031109
     22        6           0.000010588   -0.000019370   -0.000036664
     23        7          -0.000050678    0.000045205    0.000015735
     24        7           0.000012374   -0.000012543   -0.000030612
     25        7          -0.000033072   -0.000023412    0.000017950
     26        6           0.000004207    0.000022889    0.000003971
     27        6          -0.000002918   -0.000001340    0.000004691
     28        6          -0.000002956   -0.000000006    0.000011756
     29        6           0.000024024   -0.000011644   -0.000006426
     30        6          -0.000017802   -0.000078790    0.000030369
     31        6          -0.000025981   -0.000037598    0.000026677
     32        6           0.000018355    0.000043449   -0.000024102
     33        6           0.000050489    0.000042345   -0.000011258
     34        6           0.000025221   -0.000019511    0.000013100
     35        6           0.000007363   -0.000028619    0.000034977
     36        6          -0.000017315    0.000020006   -0.000027410
     37        6          -0.000015655    0.000022577   -0.000025421
     38        6           0.000007965    0.000001896   -0.000008270
     39        6           0.000000316    0.000003190    0.000011886
     40        6           0.000000973   -0.000018101    0.000001741
     41        6          -0.000006439    0.000003619    0.000017176
     42        6          -0.000035170   -0.000013712   -0.000023091
     43        6          -0.000001921   -0.000000741   -0.000008071
     44        6          -0.000010203    0.000013879    0.000003226
     45        6           0.000009381    0.000001117   -0.000004435
     46        6           0.000006611   -0.000031925    0.000005931
     47        6           0.000003644    0.000012368   -0.000004021
     48        6           0.000026164   -0.000003059    0.000011454
     49        6          -0.000019617   -0.000000958   -0.000014981
     50        6          -0.000001050    0.000004608   -0.000018385
     51        6           0.000009046   -0.000006538   -0.000009790
     52        6           0.000000366    0.000002930   -0.000006537
     53        6           0.000012279    0.000015988   -0.000008799
     54        6           0.000000326   -0.000011318    0.000018663
     55        6          -0.000000521    0.000001150    0.000007988
     56        6           0.000009590   -0.000004035    0.000001864
     57        6          -0.000000593   -0.000007476    0.000013352
     58        6          -0.000000957    0.000001351   -0.000012617
     59        6           0.000002244    0.000004281   -0.000001227
     60        6           0.000004153   -0.000010364    0.000014614
     61        6          -0.000016517    0.000012487   -0.000020246
     62        8           0.000003115    0.000081455   -0.000068237
     63       15          -0.000041330   -0.000049022    0.000136575
     64        8          -0.000065993   -0.000083038    0.000204777
     65        8           0.000001062    0.000018840   -0.000322691
     66        6           0.000145578    0.000329297   -0.000259913
     67        6          -0.000030113    0.000050643    0.000058089
     68        6          -0.000049973    0.000077252    0.000111224
     69        6           0.000082236    0.000005189    0.000037320
     70        1           0.000002391    0.000018061   -0.000003900
     71        1          -0.000005995    0.000001212   -0.000009990
     72        1           0.000002806    0.000000914    0.000004579
     73        1           0.000014039   -0.000007073    0.000004642
     74        1           0.000010390   -0.000003622    0.000001239
     75        1           0.000006187   -0.000028398    0.000011089
     76        1          -0.000028629   -0.000080213    0.000000504
     77        1          -0.000013876   -0.000018882   -0.000005067
     78        1          -0.000017822   -0.000008197    0.000015650
     79        1          -0.000001868    0.000005434   -0.000001559
     80        1           0.000001455   -0.000005659   -0.000004323
     81        1          -0.000004620    0.000008613   -0.000004837
     82        1          -0.000009323   -0.000011550   -0.000010466
     83        1           0.000030006    0.000009893    0.000014691
     84        1           0.000003164    0.000002188   -0.000002459
     85        1           0.000002431   -0.000000762   -0.000001895
     86        1          -0.000000457    0.000000038    0.000002976
     87        1          -0.000015089    0.000011858    0.000004831
     88        1          -0.000001995   -0.000001651    0.000005939
     89        1          -0.000002591    0.000004211   -0.000000033
     90        1          -0.000002238    0.000000100    0.000010099
     91        1           0.000000849    0.000002772   -0.000004644
     92        1          -0.000006167    0.000002222    0.000000335
     93        1          -0.000003375   -0.000001370    0.000000609
     94        1           0.000000571    0.000000982    0.000003282
     95        1           0.000001581   -0.000001194   -0.000008352
     96        1          -0.000000008    0.000000003    0.000000687
     97        1          -0.000003168    0.000002854   -0.000005021
     98        1           0.000008353    0.000010105   -0.000004208
     99        1           0.000009552    0.000003144   -0.000002844
    100        1           0.000003963    0.000001598   -0.000001181
    101        1          -0.000001637    0.000002550   -0.000001042
    102        1           0.000001175    0.000003175    0.000003117
    103        1          -0.000086397   -0.000365530    0.000176465
    104        1           0.000011538   -0.000009778    0.000002705
    105        1           0.000006253    0.000002311   -0.000012484
    106        1           0.000016540   -0.000008802   -0.000009588
    107        1          -0.000000372   -0.000009175   -0.000005263
    108        1           0.000079085   -0.000045760    0.000028461
    109        1          -0.000010218    0.000020076   -0.000000254
    110        1           0.000017266    0.000004601   -0.000029917
    111        1          -0.000031138   -0.000019960   -0.000023547
    112        1          -0.000045463    0.000037709   -0.000002737
    113       17           0.000072423    0.000081529   -0.000258038
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000365530 RMS     0.000055794

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001231762 RMS     0.000079431
 Search for a local minimum.
 Step number  38 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
                                                     34   35   36   37   38
 DE= -1.17D-05 DEPred=-6.83D-06 R= 1.71D+00
 TightC=F SS=  1.41D+00  RLast= 4.77D-02 DXNew= 1.0744D+00 1.4323D-01
 Trust test= 1.71D+00 RLast= 4.77D-02 DXMaxT set to 6.39D-01
 ITU=  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1
 ITU=  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00158   0.00365   0.00427   0.00636   0.00764
     Eigenvalues ---    0.01019   0.01450   0.01654   0.01968   0.02441
     Eigenvalues ---    0.02486   0.02541   0.02554   0.02580   0.02590
     Eigenvalues ---    0.02602   0.02636   0.02672   0.02681   0.02693
     Eigenvalues ---    0.02698   0.02707   0.02712   0.02716   0.02741
     Eigenvalues ---    0.02756   0.02769   0.02772   0.02794   0.02799
     Eigenvalues ---    0.02802   0.02805   0.02812   0.02815   0.02826
     Eigenvalues ---    0.02835   0.02848   0.02860   0.02866   0.02870
     Eigenvalues ---    0.02875   0.02884   0.02886   0.02895   0.02900
     Eigenvalues ---    0.02905   0.02906   0.02909   0.02913   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02937   0.02944   0.02946
     Eigenvalues ---    0.02950   0.02950   0.02952   0.02955   0.02959
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02973   0.02976
     Eigenvalues ---    0.02989   0.02992   0.02995   0.02999   0.03005
     Eigenvalues ---    0.03019   0.03026   0.03029   0.03048   0.03058
     Eigenvalues ---    0.03059   0.03065   0.03071   0.03079   0.03095
     Eigenvalues ---    0.03099   0.03110   0.03125   0.03136   0.03142
     Eigenvalues ---    0.03161   0.03175   0.03177   0.03187   0.03190
     Eigenvalues ---    0.03226   0.03243   0.03258   0.03276   0.03317
     Eigenvalues ---    0.03502   0.03536   0.03946   0.04936   0.05112
     Eigenvalues ---    0.05389   0.05734   0.05780   0.05903   0.05941
     Eigenvalues ---    0.06149   0.06214   0.06421   0.07930   0.09997
     Eigenvalues ---    0.11834   0.12043   0.13592   0.13830   0.14175
     Eigenvalues ---    0.15121   0.15894   0.15922   0.15974   0.15988
     Eigenvalues ---    0.15994   0.15994   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16003
     Eigenvalues ---    0.16007   0.16008   0.16013   0.16027   0.16047
     Eigenvalues ---    0.16076   0.16114   0.16172   0.16338   0.17998
     Eigenvalues ---    0.19555   0.20553   0.21526   0.21995   0.21999
     Eigenvalues ---    0.21999   0.22000   0.22004   0.22229   0.22259
     Eigenvalues ---    0.22348   0.22454   0.22539   0.22590   0.22599
     Eigenvalues ---    0.22614   0.22616   0.22660   0.22724   0.23111
     Eigenvalues ---    0.23297   0.23469   0.23546   0.23764   0.24232
     Eigenvalues ---    0.24429   0.24449   0.24480   0.24489   0.24525
     Eigenvalues ---    0.24541   0.24595   0.24744   0.24815   0.24910
     Eigenvalues ---    0.24930   0.24967   0.24978   0.24981   0.24983
     Eigenvalues ---    0.24988   0.24991   0.25013   0.25045   0.25152
     Eigenvalues ---    0.25421   0.25683   0.25954   0.26582   0.27161
     Eigenvalues ---    0.27368   0.28197   0.28744   0.28848   0.29178
     Eigenvalues ---    0.29332   0.29604   0.29839   0.30162   0.30438
     Eigenvalues ---    0.30582   0.30661   0.30761   0.30909   0.31007
     Eigenvalues ---    0.31129   0.31245   0.31270   0.31426   0.31531
     Eigenvalues ---    0.31687   0.31834   0.32136   0.32234   0.32537
     Eigenvalues ---    0.33133   0.33384   0.33521   0.33966   0.34058
     Eigenvalues ---    0.34219   0.34496   0.34669   0.34937   0.35152
     Eigenvalues ---    0.35263   0.35458   0.35547   0.35827   0.36391
     Eigenvalues ---    0.36779   0.37145   0.37309   0.38585   0.39177
     Eigenvalues ---    0.39903   0.41515   0.41855   0.42125   0.42759
     Eigenvalues ---    0.43329   0.43779   0.43929   0.45275   0.45869
     Eigenvalues ---    0.47074   0.47100   0.47128   0.47243   0.47672
     Eigenvalues ---    0.47839   0.49626   0.49789   0.50158   0.50503
     Eigenvalues ---    0.50663   0.51137   0.51696   0.52013   0.52111
     Eigenvalues ---    0.52237   0.52618   0.53103   0.53184   0.53245
     Eigenvalues ---    0.53399   0.53797   0.54293   0.54349   0.55030
     Eigenvalues ---    0.55306   0.55625   0.55696   0.55824   0.56027
     Eigenvalues ---    0.56181   0.56267   0.56462   0.56688   0.56857
     Eigenvalues ---    0.56979   0.57189   0.57377   0.57980   0.58232
     Eigenvalues ---    0.58287   0.58315   0.58386   0.58503   0.58664
     Eigenvalues ---    0.58926   0.59226   0.59542   0.59758   0.59842
     Eigenvalues ---    0.60052   0.60691   0.60883   0.61578   0.62019
     Eigenvalues ---    0.63248   0.63523   0.64176   0.65095   0.65605
     Eigenvalues ---    0.65937   0.66771   0.67812   0.68864   0.72075
     Eigenvalues ---    0.73096   0.74574   0.76338   0.80625   0.80911
     Eigenvalues ---    0.85535   1.05398   4.83582
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    38   37   36   35   34   33   32   31   30   29
 RFO step:  Lambda=-2.21059785D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.14885   -2.00000    0.59386    0.59399   -0.42475
                  RFO-DIIS coefs:   -0.05342    0.14146    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01010432 RMS(Int)=  0.00009038
 Iteration  2 RMS(Cart)=  0.00018488 RMS(Int)=  0.00000092
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000091
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63952   0.00002  -0.00005   0.00003  -0.00002   2.63950
    R2        2.65465  -0.00004   0.00001   0.00005   0.00006   2.65471
    R3        2.67492   0.00003   0.00005  -0.00010  -0.00005   2.67487
    R4        2.64607  -0.00001   0.00008   0.00003   0.00011   2.64618
    R5        2.04656  -0.00001  -0.00002  -0.00003  -0.00005   2.04651
    R6        2.66483   0.00003   0.00002   0.00003   0.00005   2.66488
    R7        2.78755   0.00007  -0.00024  -0.00003  -0.00028   2.78727
    R8        2.64824  -0.00003   0.00000  -0.00003  -0.00003   2.64821
    R9        2.77979   0.00004   0.00022   0.00003   0.00025   2.78005
   R10        2.62075   0.00001   0.00004  -0.00002   0.00002   2.62077
   R11        2.04807  -0.00000  -0.00001   0.00003   0.00003   2.04810
   R12        2.04878   0.00000  -0.00003   0.00001  -0.00002   2.04876
   R13        2.67785  -0.00001   0.00004   0.00000   0.00005   2.67790
   R14        2.64539   0.00001   0.00007   0.00003   0.00010   2.64549
   R15        2.83233  -0.00010  -0.00060  -0.00025  -0.00085   2.83148
   R16        2.64745  -0.00003   0.00018   0.00001   0.00019   2.64765
   R17        2.83878   0.00002   0.00003  -0.00004  -0.00001   2.83877
   R18        2.68833  -0.00021  -0.00024  -0.00003  -0.00027   2.68806
   R19        2.43517  -0.00005   0.00002   0.00001   0.00002   2.43520
   R20        2.63753   0.00003  -0.00008   0.00000  -0.00008   2.63745
   R21        2.04593  -0.00002   0.00002  -0.00003  -0.00001   2.04592
   R22        2.64479  -0.00004   0.00011   0.00008   0.00019   2.64498
   R23        2.67454  -0.00001   0.00000  -0.00009  -0.00008   2.67446
   R24        2.62316   0.00001  -0.00007  -0.00004  -0.00011   2.62304
   R25        2.04855   0.00000  -0.00002   0.00002  -0.00001   2.04854
   R26        2.04123   0.00002  -0.00004   0.00005   0.00001   2.04124
   R27        2.69732  -0.00007   0.00025  -0.00011   0.00014   2.69746
   R28        3.33636  -0.00023   0.00043  -0.00043   0.00000   3.33637
   R29        2.67264  -0.00006  -0.00008  -0.00006  -0.00014   2.67250
   R30        2.65357   0.00000   0.00002  -0.00004  -0.00002   2.65355
   R31        2.61346   0.00010   0.00035   0.00018   0.00053   2.61399
   R32        2.65268   0.00001  -0.00015  -0.00006  -0.00021   2.65247
   R33        2.62527  -0.00001   0.00009   0.00003   0.00012   2.62539
   R34        2.03715   0.00007  -0.00013   0.00001  -0.00012   2.03703
   R35        2.65125   0.00005  -0.00007   0.00005  -0.00002   2.65123
   R36        2.04943  -0.00000   0.00001  -0.00003  -0.00003   2.04941
   R37        2.62473   0.00002   0.00003   0.00007   0.00010   2.62483
   R38        2.67964  -0.00003   0.00009  -0.00007   0.00001   2.67965
   R39        2.04788  -0.00001   0.00000  -0.00003  -0.00003   2.04785
   R40        2.65190  -0.00004   0.00000   0.00008   0.00009   2.65198
   R41        2.65209  -0.00004  -0.00005   0.00009   0.00004   2.65213
   R42        2.65048  -0.00002  -0.00003  -0.00001  -0.00004   2.65044
   R43        2.64985  -0.00000   0.00010   0.00011   0.00021   2.65006
   R44        2.64748   0.00000  -0.00006   0.00007   0.00001   2.64749
   R45        2.64615   0.00000   0.00006   0.00008   0.00013   2.64629
   R46        2.67825  -0.00001   0.00004  -0.00001   0.00004   2.67829
   R47        2.64060  -0.00001   0.00000   0.00001   0.00001   2.64061
   R48        2.73720  -0.00002   0.00007  -0.00000   0.00007   2.73727
   R49        2.64481  -0.00001   0.00001  -0.00001   0.00000   2.64481
   R50        2.67931   0.00000   0.00000  -0.00002  -0.00002   2.67929
   R51        2.64457  -0.00000   0.00002   0.00000   0.00003   2.64460
   R52        2.64150  -0.00001  -0.00001  -0.00001  -0.00002   2.64149
   R53        2.67840  -0.00000   0.00002  -0.00004  -0.00002   2.67838
   R54        2.64107  -0.00002  -0.00000   0.00002   0.00001   2.64108
   R55        2.73667  -0.00002   0.00006  -0.00001   0.00004   2.73671
   R56        2.64452  -0.00000   0.00002  -0.00001   0.00001   2.64453
   R57        2.67866   0.00000   0.00004  -0.00001   0.00003   2.67869
   R58        2.64454  -0.00000   0.00001  -0.00002  -0.00001   2.64453
   R59        2.64125  -0.00000   0.00001   0.00002   0.00003   2.64127
   R60        2.67966  -0.00001   0.00008   0.00001   0.00008   2.67974
   R61        2.64067  -0.00000   0.00002   0.00002   0.00004   2.64071
   R62        2.73662  -0.00001   0.00005  -0.00003   0.00002   2.73664
   R63        2.64504   0.00001   0.00001  -0.00001   0.00000   2.64504
   R64        2.67991  -0.00000   0.00001  -0.00002  -0.00000   2.67991
   R65        2.64485  -0.00001   0.00002  -0.00000   0.00002   2.64486
   R66        2.64103  -0.00000  -0.00002   0.00004   0.00002   2.64105
   R67        2.62993  -0.00002   0.00005  -0.00000   0.00004   2.62998
   R68        2.05259  -0.00000  -0.00001  -0.00000  -0.00001   2.05258
   R69        2.65486  -0.00001   0.00002  -0.00001   0.00001   2.65487
   R70        2.05138   0.00000  -0.00000   0.00002   0.00001   2.05139
   R71        2.63356   0.00000   0.00003   0.00002   0.00004   2.63360
   R72        2.05239   0.00001  -0.00006   0.00001  -0.00005   2.05234
   R73        2.04892  -0.00002   0.00003  -0.00001   0.00002   2.04894
   R74        2.63286  -0.00001   0.00001  -0.00001   0.00001   2.63287
   R75        2.04891   0.00003  -0.00008   0.00012   0.00003   2.04894
   R76        2.65524  -0.00000   0.00001  -0.00001   0.00001   2.65524
   R77        2.05214  -0.00000  -0.00001   0.00000  -0.00001   2.05213
   R78        2.62966  -0.00001   0.00004   0.00000   0.00004   2.62970
   R79        2.05145  -0.00000  -0.00000   0.00000   0.00000   2.05145
   R80        2.05263  -0.00000  -0.00000   0.00000  -0.00000   2.05263
   R81        2.62979  -0.00001   0.00002   0.00001   0.00003   2.62981
   R82        2.05259   0.00002  -0.00006   0.00003  -0.00003   2.05256
   R83        2.65437   0.00000   0.00002  -0.00002  -0.00000   2.65437
   R84        2.05138  -0.00000  -0.00002   0.00000  -0.00002   2.05136
   R85        2.63283  -0.00002   0.00002  -0.00001   0.00002   2.63285
   R86        2.05209  -0.00000  -0.00002   0.00000  -0.00002   2.05208
   R87        2.04827  -0.00001  -0.00001  -0.00001  -0.00002   2.04826
   R88        2.63290  -0.00001   0.00000  -0.00000   0.00000   2.63290
   R89        2.04846  -0.00000  -0.00002   0.00001  -0.00000   2.04845
   R90        2.65470   0.00000   0.00003  -0.00001   0.00002   2.65472
   R91        2.05213  -0.00000   0.00000  -0.00000  -0.00000   2.05213
   R92        2.62955  -0.00001   0.00004  -0.00000   0.00004   2.62959
   R93        2.05143   0.00000   0.00000  -0.00000  -0.00000   2.05143
   R94        2.05264  -0.00000  -0.00000  -0.00000  -0.00000   2.05264
   R95        2.62990  -0.00001   0.00002  -0.00002   0.00000   2.62990
   R96        2.05271   0.00000  -0.00001   0.00001   0.00000   2.05272
   R97        2.65530  -0.00001   0.00003  -0.00001   0.00001   2.65531
   R98        2.05146  -0.00000  -0.00001   0.00001  -0.00001   2.05145
   R99        2.63279   0.00000   0.00001  -0.00000   0.00001   2.63280
   R100       2.05232   0.00000  -0.00002   0.00000  -0.00001   2.05230
   R101       2.04925  -0.00001   0.00001  -0.00002  -0.00001   2.04924
   R102       2.63262   0.00000   0.00002   0.00002   0.00004   2.63266
   R103       2.04901  -0.00001   0.00002  -0.00003  -0.00001   2.04900
   R104       2.65547  -0.00001   0.00001  -0.00003  -0.00002   2.65545
   R105       2.05223  -0.00000  -0.00001  -0.00000  -0.00001   2.05222
   R106       2.62959  -0.00000   0.00002  -0.00000   0.00002   2.62961
   R107       2.05145   0.00000   0.00001   0.00000   0.00002   2.05147
   R108       2.05273   0.00000  -0.00003   0.00001  -0.00002   2.05271
   R109       2.78629  -0.00006   0.00002   0.00002   0.00004   2.78633
   R110       3.02582  -0.00001  -0.00011   0.00008  -0.00003   3.02579
   R111       3.04002   0.00009  -0.00029   0.00014  -0.00015   3.03987
   R112       2.77365  -0.00029  -0.00123  -0.00078  -0.00201   2.77164
   R113       2.76007  -0.00003  -0.00052  -0.00030  -0.00082   2.75925
   R114       2.86260   0.00003   0.00026   0.00028   0.00054   2.86313
   R115       2.06135  -0.00004   0.00011   0.00012   0.00023   2.06158
   R116       2.06660   0.00001   0.00003  -0.00001   0.00002   2.06662
   R117       2.06926  -0.00001   0.00003   0.00002   0.00006   2.06932
   R118       2.06655   0.00002  -0.00007   0.00003  -0.00004   2.06651
   R119       2.06470  -0.00000  -0.00005  -0.00006  -0.00011   2.06459
   R120       2.86933  -0.00003   0.00016  -0.00006   0.00010   2.86943
   R121       2.06442   0.00005   0.00000   0.00001   0.00002   2.06444
   R122       2.06851  -0.00000   0.00002  -0.00007  -0.00005   2.06846
   R123       2.06952  -0.00001  -0.00001   0.00001  -0.00000   2.06952
   R124       2.06392   0.00000   0.00004   0.00003   0.00008   2.06399
   R125       2.06688   0.00002  -0.00006   0.00001  -0.00005   2.06682
   R126       5.40903   0.00014   0.01782   0.02325   0.04107   5.45010
    A1        2.08883  -0.00000   0.00011  -0.00008   0.00002   2.08885
    A2        2.09437   0.00002  -0.00007   0.00005  -0.00002   2.09435
    A3        2.09997  -0.00002  -0.00004   0.00003  -0.00000   2.09997
    A4        2.11048   0.00001  -0.00010   0.00011   0.00001   2.11049
    A5        2.06990  -0.00002   0.00019  -0.00004   0.00015   2.07005
    A6        2.10255   0.00001  -0.00008  -0.00008  -0.00016   2.10240
    A7        2.07601  -0.00003  -0.00001  -0.00009  -0.00010   2.07591
    A8        2.14171   0.00003   0.00005   0.00008   0.00013   2.14184
    A9        2.06169   0.00000  -0.00002   0.00003   0.00001   2.06169
   A10        2.09053   0.00001   0.00012   0.00004   0.00016   2.09069
   A11        2.09539  -0.00001  -0.00018  -0.00008  -0.00026   2.09514
   A12        2.09686  -0.00001   0.00004   0.00005   0.00009   2.09695
   A13        2.10807   0.00000  -0.00012   0.00003  -0.00009   2.10797
   A14        2.06723   0.00000   0.00008   0.00004   0.00012   2.06735
   A15        2.10788  -0.00001   0.00004  -0.00007  -0.00003   2.10786
   A16        2.09022   0.00000   0.00002   0.00002   0.00003   2.09025
   A17        2.08871   0.00000  -0.00012   0.00004  -0.00008   2.08864
   A18        2.10425  -0.00000   0.00010  -0.00006   0.00005   2.10429
   A19        2.09595  -0.00002   0.00008  -0.00009  -0.00001   2.09594
   A20        2.10197   0.00004  -0.00012   0.00021   0.00008   2.10205
   A21        2.07924  -0.00002   0.00008  -0.00011  -0.00004   2.07920
   A22        2.07025   0.00000   0.00020   0.00002   0.00022   2.07047
   A23        2.06961   0.00002  -0.00019   0.00009  -0.00010   2.06950
   A24        2.13874  -0.00003  -0.00006  -0.00008  -0.00015   2.13859
   A25        1.94389   0.00007   0.00009  -0.00015  -0.00006   1.94384
   A26        2.05673   0.00002   0.00034  -0.00009   0.00025   2.05698
   A27        2.01903  -0.00006  -0.00003  -0.00033  -0.00036   2.01867
   A28        2.02794  -0.00004   0.00015  -0.00020  -0.00005   2.02789
   A29        2.08359   0.00002  -0.00036  -0.00004  -0.00039   2.08319
   A30        2.16936   0.00001   0.00021   0.00025   0.00047   2.16983
   A31        2.11872   0.00001   0.00005   0.00009   0.00014   2.11886
   A32        2.09605  -0.00001  -0.00019  -0.00004  -0.00023   2.09582
   A33        2.06784  -0.00000   0.00013  -0.00004   0.00009   2.06793
   A34        2.08033  -0.00001  -0.00006  -0.00003  -0.00010   2.08023
   A35        2.09894   0.00005   0.00001   0.00003   0.00004   2.09898
   A36        2.10313  -0.00004   0.00005   0.00001   0.00006   2.10318
   A37        2.09153   0.00001   0.00001  -0.00001  -0.00000   2.09153
   A38        2.09137   0.00001  -0.00013  -0.00000  -0.00013   2.09124
   A39        2.09989  -0.00001   0.00012   0.00001   0.00013   2.10002
   A40        2.12166  -0.00000   0.00011  -0.00000   0.00010   2.12176
   A41        2.09958   0.00002  -0.00007  -0.00010  -0.00017   2.09941
   A42        2.06045  -0.00002  -0.00005   0.00010   0.00005   2.06050
   A43        2.08062   0.00014   0.00000   0.00030   0.00031   2.08094
   A44        2.05545  -0.00015   0.00053   0.00016   0.00069   2.05614
   A45        2.08340  -0.00001  -0.00029  -0.00001  -0.00031   2.08309
   A46        2.07611  -0.00004   0.00007  -0.00003   0.00004   2.07615
   A47        2.14996   0.00000   0.00012   0.00010   0.00021   2.15017
   A48        2.05627   0.00004  -0.00019  -0.00006  -0.00025   2.05601
   A49        2.14150  -0.00004  -0.00005  -0.00010  -0.00015   2.14135
   A50        2.10418   0.00000   0.00025   0.00008   0.00034   2.10452
   A51        2.03736   0.00004  -0.00020   0.00002  -0.00018   2.03717
   A52        2.07790  -0.00001  -0.00020  -0.00008  -0.00027   2.07763
   A53        2.11208  -0.00004   0.00008   0.00001   0.00009   2.11217
   A54        2.10652  -0.00002   0.00033   0.00011   0.00044   2.10696
   A55        2.06458   0.00005  -0.00041  -0.00012  -0.00053   2.06404
   A56        2.11414   0.00003  -0.00006   0.00006   0.00000   2.11414
   A57        2.08350  -0.00003   0.00008  -0.00015  -0.00007   2.08343
   A58        2.08554   0.00001  -0.00002   0.00009   0.00007   2.08561
   A59        2.06765  -0.00003   0.00006  -0.00013  -0.00007   2.06758
   A60        2.10494   0.00000   0.00004   0.00012   0.00016   2.10510
   A61        2.11059   0.00003  -0.00010   0.00000  -0.00009   2.11050
   A62        2.11168  -0.00000  -0.00013   0.00003  -0.00010   2.11158
   A63        2.05181  -0.00002   0.00034  -0.00003   0.00031   2.05213
   A64        2.11967   0.00002  -0.00022   0.00000  -0.00021   2.11946
   A65        2.19613  -0.00002   0.00003   0.00002   0.00005   2.19618
   A66        2.19698   0.00002  -0.00009   0.00003  -0.00006   2.19692
   A67        1.89007  -0.00000   0.00006  -0.00005   0.00001   1.89008
   A68        2.19114  -0.00004   0.00009   0.00004   0.00013   2.19127
   A69        2.20057   0.00004  -0.00012   0.00000  -0.00012   2.20046
   A70        1.89141  -0.00000   0.00003  -0.00002   0.00000   1.89141
   A71        2.19633   0.00001  -0.00002  -0.00000  -0.00002   2.19631
   A72        2.19500   0.00000  -0.00003   0.00003   0.00001   2.19501
   A73        1.89181  -0.00001   0.00004  -0.00005  -0.00002   1.89179
   A74        1.90045   0.00001  -0.00002   0.00002  -0.00000   1.90045
   A75        2.25862  -0.00000  -0.00002   0.00001  -0.00000   2.25862
   A76        2.12348  -0.00001   0.00004  -0.00004   0.00000   2.12349
   A77        1.86636  -0.00000   0.00002   0.00000   0.00002   1.86638
   A78        2.08601   0.00001  -0.00004   0.00003  -0.00001   2.08600
   A79        2.33075  -0.00000   0.00002  -0.00003  -0.00001   2.33074
   A80        1.86649   0.00000  -0.00001   0.00002   0.00000   1.86650
   A81        2.33005  -0.00001   0.00003  -0.00004  -0.00001   2.33004
   A82        2.08655   0.00001  -0.00002   0.00003   0.00000   2.08655
   A83        1.90007  -0.00000  -0.00002  -0.00002  -0.00003   1.90004
   A84        2.26160   0.00002  -0.00002   0.00005   0.00003   2.26163
   A85        2.12069  -0.00001   0.00004  -0.00004   0.00000   2.12069
   A86        1.90065   0.00001  -0.00004   0.00002  -0.00002   1.90063
   A87        2.26107  -0.00001  -0.00008   0.00002  -0.00005   2.26101
   A88        2.12068   0.00000   0.00010  -0.00006   0.00004   2.12072
   A89        1.86682  -0.00001   0.00001   0.00001   0.00002   1.86684
   A90        2.08743  -0.00000  -0.00007   0.00005  -0.00002   2.08741
   A91        2.32880   0.00001   0.00007  -0.00007  -0.00001   2.32879
   A92        1.86664  -0.00001  -0.00001   0.00002   0.00001   1.86666
   A93        2.32890   0.00001   0.00004  -0.00009  -0.00004   2.32885
   A94        2.08760   0.00000  -0.00003   0.00006   0.00003   2.08763
   A95        1.90059   0.00001  -0.00002  -0.00000  -0.00003   1.90057
   A96        2.26315  -0.00000  -0.00000   0.00009   0.00008   2.26323
   A97        2.11887  -0.00000   0.00002  -0.00009  -0.00007   2.11880
   A98        1.90078   0.00001   0.00000   0.00001   0.00002   1.90080
   A99        2.25956   0.00001  -0.00001   0.00010   0.00010   2.25965
   A100       2.12247  -0.00001   0.00000  -0.00012  -0.00012   2.12235
   A101       1.86563   0.00000  -0.00003   0.00001  -0.00002   1.86561
   A102       2.08584   0.00000  -0.00000   0.00009   0.00009   2.08593
   A103       2.33167  -0.00001   0.00003  -0.00010  -0.00007   2.33160
   A104       1.86535  -0.00000   0.00002   0.00002   0.00004   1.86539
   A105       2.33203   0.00000   0.00001  -0.00008  -0.00007   2.33196
   A106       2.08574  -0.00000  -0.00003   0.00005   0.00002   2.08577
   A107       1.90121   0.00000  -0.00003   0.00001  -0.00002   1.90119
   A108       2.25950  -0.00000  -0.00002   0.00006   0.00004   2.25954
   A109       2.12203  -0.00000   0.00005  -0.00009  -0.00005   2.12199
   A110       2.08028   0.00000  -0.00001  -0.00000  -0.00002   2.08026
   A111       2.09983   0.00000   0.00003   0.00002   0.00005   2.09988
   A112       2.10305  -0.00001  -0.00001  -0.00001  -0.00003   2.10302
   A113       2.10388  -0.00000   0.00003   0.00000   0.00003   2.10390
   A114       2.09186  -0.00000  -0.00002  -0.00001  -0.00003   2.09183
   A115       2.08741   0.00000  -0.00000   0.00001   0.00001   2.08742
   A116       2.11928   0.00000  -0.00003  -0.00002  -0.00005   2.11923
   A117       2.08584  -0.00001   0.00002   0.00001   0.00003   2.08587
   A118       2.07804   0.00000   0.00001   0.00001   0.00002   2.07806
   A119       2.05538   0.00000  -0.00000   0.00004   0.00004   2.05542
   A120       2.11883   0.00000  -0.00001   0.00003   0.00002   2.11886
   A121       2.10888  -0.00001   0.00001  -0.00007  -0.00006   2.10882
   A122       2.05283   0.00000  -0.00000   0.00002   0.00002   2.05285
   A123       2.11914  -0.00000  -0.00004  -0.00001  -0.00005   2.11909
   A124       2.11116   0.00000   0.00004  -0.00001   0.00003   2.11119
   A125       2.12027   0.00000  -0.00002  -0.00001  -0.00003   2.12024
   A126       2.07763  -0.00000   0.00000  -0.00002  -0.00002   2.07760
   A127       2.08528   0.00000   0.00002   0.00003   0.00005   2.08533
   A128       2.10454  -0.00000   0.00002  -0.00000   0.00002   2.10456
   A129       2.08710   0.00000  -0.00000  -0.00000  -0.00001   2.08710
   A130       2.09152   0.00000  -0.00002   0.00001  -0.00001   2.09150
   A131       2.07902  -0.00000   0.00001  -0.00001  -0.00000   2.07901
   A132       2.10058   0.00000   0.00002   0.00002   0.00004   2.10063
   A133       2.10357  -0.00000  -0.00003  -0.00001  -0.00004   2.10352
   A134       2.08026  -0.00000   0.00002   0.00000   0.00002   2.08028
   A135       2.09959   0.00000  -0.00001  -0.00001  -0.00002   2.09957
   A136       2.10333  -0.00000  -0.00001   0.00000  -0.00000   2.10332
   A137       2.10343   0.00000   0.00001  -0.00004  -0.00003   2.10340
   A138       2.09216  -0.00000  -0.00001  -0.00000  -0.00001   2.09215
   A139       2.08759   0.00000   0.00000   0.00004   0.00004   2.08763
   A140       2.11899   0.00000  -0.00001   0.00001   0.00000   2.11900
   A141       2.08819  -0.00001   0.00001   0.00004   0.00005   2.08824
   A142       2.07600   0.00000   0.00000  -0.00005  -0.00005   2.07595
   A143       2.05697   0.00000  -0.00001   0.00005   0.00004   2.05701
   A144       2.12045  -0.00001   0.00001   0.00006   0.00007   2.12052
   A145       2.10574   0.00000   0.00000  -0.00011  -0.00011   2.10563
   A146       2.05470  -0.00000  -0.00004   0.00003  -0.00001   2.05469
   A147       2.11962  -0.00000  -0.00003   0.00006   0.00002   2.11964
   A148       2.10881   0.00000   0.00007  -0.00008  -0.00001   2.10880
   A149       2.12014   0.00000  -0.00003   0.00001  -0.00002   2.12012
   A150       2.07737   0.00001   0.00003   0.00001   0.00004   2.07742
   A151       2.08566  -0.00001  -0.00000  -0.00002  -0.00002   2.08564
   A152       2.10369  -0.00000   0.00005  -0.00002   0.00002   2.10371
   A153       2.08743   0.00000  -0.00001   0.00003   0.00001   2.08744
   A154       2.09204  -0.00000  -0.00003  -0.00000  -0.00004   2.09201
   A155       2.07945  -0.00000  -0.00001  -0.00001  -0.00001   2.07943
   A156       2.10009   0.00000   0.00001  -0.00000   0.00001   2.10010
   A157       2.10362  -0.00000  -0.00001   0.00001   0.00000   2.10363
   A158       2.08000   0.00000  -0.00000   0.00002   0.00001   2.08001
   A159       2.10013   0.00001  -0.00000   0.00001   0.00001   2.10014
   A160       2.10304  -0.00001   0.00001  -0.00003  -0.00002   2.10302
   A161       2.10429   0.00000   0.00001  -0.00003  -0.00003   2.10427
   A162       2.09176  -0.00000   0.00001   0.00003   0.00004   2.09180
   A163       2.08712  -0.00000  -0.00001   0.00000  -0.00001   2.08711
   A164       2.11955  -0.00000  -0.00000   0.00000   0.00000   2.11955
   A165       2.08513   0.00000   0.00003   0.00002   0.00004   2.08518
   A166       2.07850   0.00000  -0.00003  -0.00002  -0.00004   2.07845
   A167       2.05460   0.00000  -0.00002   0.00005   0.00003   2.05464
   A168       2.11753  -0.00000   0.00000   0.00003   0.00003   2.11757
   A169       2.11101  -0.00000   0.00002  -0.00008  -0.00007   2.11095
   A170       2.05407   0.00001  -0.00001   0.00006   0.00005   2.05412
   A171       2.11796  -0.00000   0.00002   0.00006   0.00008   2.11804
   A172       2.11114  -0.00001  -0.00001  -0.00012  -0.00013   2.11102
   A173       2.11990  -0.00000   0.00000   0.00001   0.00001   2.11991
   A174       2.07805   0.00001  -0.00000  -0.00001  -0.00001   2.07803
   A175       2.08524  -0.00000   0.00000   0.00000   0.00000   2.08524
   A176       2.10434  -0.00000   0.00002  -0.00002   0.00000   2.10434
   A177       2.08706   0.00000  -0.00001   0.00001  -0.00000   2.08706
   A178       2.09177   0.00000  -0.00001   0.00001  -0.00000   2.09177
   A179       2.07964   0.00000  -0.00001  -0.00002  -0.00003   2.07961
   A180       2.10030   0.00000   0.00002   0.00002   0.00004   2.10034
   A181       2.10324  -0.00001  -0.00000  -0.00000  -0.00001   2.10323
   A182       2.01450  -0.00017   0.00042  -0.00057  -0.00016   2.01434
   A183       1.84218  -0.00019  -0.00077   0.00046  -0.00031   1.84187
   A184       1.71694   0.00015   0.00025   0.00015   0.00040   1.71734
   A185       2.02551   0.00003   0.00007   0.00016   0.00023   2.02575
   A186       2.04082   0.00011   0.00013   0.00021   0.00034   2.04116
   A187       1.78328   0.00009  -0.00019  -0.00037  -0.00056   1.78272
   A188       2.12263  -0.00090   0.00110   0.00146   0.00256   2.12519
   A189       2.08284  -0.00031   0.00135   0.00075   0.00210   2.08494
   A190       1.90055   0.00020   0.00089   0.00165   0.00254   1.90308
   A191       1.90453  -0.00052  -0.00006   0.00007   0.00000   1.90453
   A192       1.84519   0.00013  -0.00014  -0.00120  -0.00133   1.84385
   A193       1.95213   0.00015  -0.00009   0.00009   0.00000   1.95213
   A194       1.95321  -0.00010  -0.00024  -0.00040  -0.00064   1.95257
   A195       1.90470   0.00012  -0.00035  -0.00026  -0.00061   1.90409
   A196       1.90746   0.00002   0.00001  -0.00006  -0.00005   1.90741
   A197       1.94026  -0.00001  -0.00024  -0.00026  -0.00050   1.93976
   A198       1.93105  -0.00001   0.00000   0.00009   0.00009   1.93114
   A199       1.89159   0.00000   0.00000  -0.00006  -0.00006   1.89153
   A200       1.88947   0.00000   0.00007  -0.00004   0.00003   1.88949
   A201       1.90289   0.00001   0.00017   0.00034   0.00050   1.90340
   A202       1.94515  -0.00002  -0.00007  -0.00038  -0.00046   1.94470
   A203       1.82209   0.00003   0.00007   0.00043   0.00050   1.82258
   A204       1.90459  -0.00001   0.00010   0.00079   0.00089   1.90549
   A205       1.94874  -0.00002   0.00015  -0.00028  -0.00013   1.94861
   A206       1.95133   0.00004  -0.00022  -0.00067  -0.00089   1.95043
   A207       1.88657  -0.00002  -0.00001   0.00023   0.00023   1.88680
   A208       1.91141  -0.00002   0.00017   0.00005   0.00022   1.91163
   A209       1.93206   0.00006  -0.00048  -0.00010  -0.00059   1.93147
   A210       1.93128  -0.00001   0.00013   0.00025   0.00039   1.93166
   A211       1.89868   0.00000  -0.00018  -0.00032  -0.00050   1.89818
   A212       1.88790   0.00001  -0.00005   0.00021   0.00016   1.88806
   A213       1.90168  -0.00004   0.00041  -0.00009   0.00031   1.90199
   A214       2.19287  -0.00123  -0.00974  -0.01592  -0.02566   2.16721
    D1       -0.00197   0.00000  -0.00022  -0.00006  -0.00028  -0.00225
    D2        3.11537  -0.00000   0.00026  -0.00028  -0.00002   3.11535
    D3        3.13196   0.00001  -0.00031   0.00002  -0.00029   3.13167
    D4       -0.03389   0.00000   0.00017  -0.00020  -0.00003  -0.03392
    D5       -0.03704  -0.00000   0.00018   0.00016   0.00035  -0.03669
    D6        3.10781   0.00000   0.00024  -0.00002   0.00022   3.10804
    D7        3.11225  -0.00001   0.00028   0.00008   0.00036   3.11261
    D8       -0.02608  -0.00001   0.00033  -0.00010   0.00024  -0.02585
    D9        2.26626  -0.00004   0.00018   0.00170   0.00188   2.26814
   D10       -0.87224  -0.00004   0.00002   0.00108   0.00110  -0.87114
   D11       -0.88305  -0.00003   0.00009   0.00178   0.00187  -0.88118
   D12        2.26163  -0.00003  -0.00007   0.00116   0.00109   2.26272
   D13        0.05522   0.00000  -0.00002  -0.00012  -0.00014   0.05507
   D14       -2.99127  -0.00002  -0.00026  -0.00028  -0.00054  -2.99181
   D15       -3.06167   0.00001  -0.00051   0.00010  -0.00041  -3.06208
   D16        0.17503  -0.00001  -0.00076  -0.00006  -0.00081   0.17422
   D17       -0.06988  -0.00000   0.00029   0.00020   0.00049  -0.06939
   D18        3.04121  -0.00001  -0.00019   0.00046   0.00027   3.04147
   D19        2.98099   0.00002   0.00052   0.00035   0.00087   2.98186
   D20       -0.19111   0.00001   0.00004   0.00061   0.00065  -0.19046
   D21       -2.92005   0.00003   0.00070  -0.00002   0.00067  -2.91937
   D22        0.34035   0.00003   0.00035  -0.00006   0.00029   0.34064
   D23        0.31591   0.00001   0.00046  -0.00017   0.00029   0.31619
   D24       -2.70688   0.00001   0.00011  -0.00020  -0.00010  -2.70698
   D25        0.03195   0.00000  -0.00033  -0.00010  -0.00042   0.03152
   D26       -3.11262   0.00000  -0.00026   0.00003  -0.00023  -3.11285
   D27       -3.07912   0.00001   0.00015  -0.00035  -0.00019  -3.07931
   D28        0.05950   0.00001   0.00022  -0.00023  -0.00000   0.05950
   D29       -0.35550   0.00003  -0.00000  -0.00097  -0.00097  -0.35647
   D30        2.85581   0.00006  -0.00012  -0.00120  -0.00132   2.85449
   D31        2.75548   0.00002  -0.00048  -0.00071  -0.00119   2.75429
   D32       -0.31640   0.00005  -0.00060  -0.00095  -0.00155  -0.31794
   D33        0.02195   0.00000   0.00009  -0.00008   0.00000   0.02196
   D34       -3.12293  -0.00001   0.00003   0.00010   0.00013  -3.12280
   D35       -3.11659   0.00000   0.00002  -0.00021  -0.00019  -3.11679
   D36        0.02171  -0.00001  -0.00004  -0.00003  -0.00007   0.02164
   D37        0.12381  -0.00004  -0.00088   0.00015  -0.00073   0.12307
   D38       -2.91753  -0.00003  -0.00034  -0.00013  -0.00046  -2.91799
   D39       -3.13505  -0.00003  -0.00055   0.00020  -0.00035  -3.13540
   D40        0.10680  -0.00002  -0.00001  -0.00007  -0.00008   0.10672
   D41        2.97446   0.00001   0.00048  -0.00004   0.00043   2.97489
   D42       -0.13016   0.00001   0.00058  -0.00010   0.00048  -0.12968
   D43       -0.04946   0.00001   0.00013  -0.00008   0.00005  -0.04940
   D44        3.12911   0.00001   0.00023  -0.00013   0.00010   3.12921
   D45       -0.64055   0.00002   0.00088  -0.00052   0.00036  -0.64019
   D46       -3.03416   0.00002   0.00042   0.00030   0.00072  -3.03345
   D47        2.39659   0.00002   0.00030  -0.00022   0.00009   2.39667
   D48        0.00298   0.00001  -0.00016   0.00060   0.00044   0.00342
   D49       -0.08516   0.00002  -0.00011   0.00015   0.00004  -0.08512
   D50        2.99649   0.00001  -0.00027  -0.00005  -0.00032   2.99617
   D51       -3.12234   0.00002   0.00045  -0.00015   0.00030  -3.12204
   D52       -0.04069   0.00002   0.00028  -0.00035  -0.00007  -0.04075
   D53        0.75116  -0.00002  -0.00041   0.00089   0.00048   0.75164
   D54       -2.46397  -0.00006  -0.00031   0.00112   0.00082  -2.46316
   D55       -3.12108   0.00002   0.00021   0.00020   0.00041  -3.12067
   D56       -0.05303  -0.00001   0.00031   0.00043   0.00075  -0.05228
   D57        2.42721   0.00004  -0.00034  -0.00101  -0.00134   2.42587
   D58       -1.09228  -0.00001   0.00031   0.00025   0.00056  -1.09172
   D59        0.06494  -0.00003  -0.00087  -0.00024  -0.00111   0.06382
   D60        2.82863  -0.00008  -0.00023   0.00102   0.00079   2.82942
   D61        3.09065   0.00000   0.00057   0.00012   0.00068   3.09133
   D62        0.02479   0.00004   0.00044  -0.00011   0.00033   0.02511
   D63       -0.03284   0.00001  -0.00017   0.00016  -0.00001  -0.03285
   D64       -3.13176   0.00000  -0.00015   0.00010  -0.00005  -3.13180
   D65        3.07235   0.00001  -0.00027   0.00022  -0.00005   3.07230
   D66       -0.02656   0.00001  -0.00025   0.00016  -0.00010  -0.02665
   D67        0.05634  -0.00002   0.00005  -0.00008  -0.00003   0.05631
   D68       -3.05530  -0.00001  -0.00006   0.00007   0.00001  -3.05529
   D69       -3.12804  -0.00001   0.00004  -0.00003   0.00001  -3.12803
   D70        0.04350   0.00000  -0.00007   0.00013   0.00006   0.04356
   D71       -2.23909   0.00002  -0.00047  -0.00149  -0.00197  -2.24105
   D72        0.88908   0.00001  -0.00034  -0.00009  -0.00043   0.88865
   D73        0.94575   0.00001  -0.00046  -0.00155  -0.00201   0.94374
   D74       -2.20927   0.00001  -0.00032  -0.00015  -0.00047  -2.20974
   D75        0.00321   0.00000   0.00009  -0.00007   0.00001   0.00322
   D76       -3.07974   0.00000   0.00025   0.00013   0.00037  -3.07936
   D77        3.11470  -0.00000   0.00020  -0.00023  -0.00004   3.11466
   D78        0.03175  -0.00000   0.00035  -0.00003   0.00033   0.03208
   D79       -0.05407   0.00005   0.00070  -0.00022   0.00048  -0.05360
   D80        3.13296   0.00004   0.00086  -0.00041   0.00045   3.13341
   D81       -2.81168   0.00013  -0.00013  -0.00154  -0.00167  -2.81335
   D82        0.37535   0.00012   0.00003  -0.00172  -0.00170   0.37366
   D83        0.16139  -0.00001  -0.00117  -0.00205  -0.00322   0.15816
   D84       -2.10004   0.00024  -0.00092  -0.00223  -0.00316  -2.10320
   D85        2.34703   0.00013  -0.00063  -0.00199  -0.00262   2.34441
   D86        2.92447  -0.00003  -0.00046  -0.00072  -0.00118   2.92328
   D87        0.66304   0.00022  -0.00022  -0.00090  -0.00112   0.66192
   D88       -1.17307   0.00012   0.00008  -0.00066  -0.00058  -1.17365
   D89        0.02475  -0.00003   0.00008   0.00055   0.00063   0.02538
   D90       -3.09773  -0.00002  -0.00001   0.00027   0.00026  -3.09747
   D91        3.12335  -0.00003  -0.00007   0.00074   0.00067   3.12402
   D92        0.00087  -0.00002  -0.00015   0.00045   0.00030   0.00117
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   D94       -0.02933   0.00002  -0.00081  -0.00062  -0.00143  -0.03076
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   D97       -0.00991  -0.00002  -0.00065  -0.00039  -0.00104  -0.01095
   D98        3.11325  -0.00003  -0.00056  -0.00011  -0.00067   3.11258
   D99       -0.01995   0.00001   0.00035  -0.00027   0.00007  -0.01988
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   D185       3.11440   0.00001  -0.00016  -0.00041  -0.00057   3.11383
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   D303      -1.00974  -0.00011   0.00232   0.00364   0.00596  -1.00377
   D304       1.22162   0.00007   0.00235   0.00369   0.00604   1.22766
   D305      -2.27041  -0.00002   0.01085   0.02074   0.03159  -2.23882
   D306      -0.13513  -0.00004   0.01125   0.02193   0.03319  -0.10195
   D307       1.91135  -0.00008   0.01074   0.02102   0.03176   1.94310
   D308       1.52171   0.00007  -0.00078   0.00995   0.00917   1.53088
   D309      -2.65529   0.00006  -0.00060   0.00968   0.00908  -2.64620
   D310      -0.64179   0.00005  -0.00052   0.01051   0.00999  -0.63180
   D311      -3.06596  -0.00021   0.00229   0.00392   0.00621  -3.05975
   D312      -0.97874  -0.00021   0.00215   0.00364   0.00579  -0.97294
   D313       1.13829  -0.00022   0.00220   0.00396   0.00616   1.14445
   D314       1.11095   0.00021   0.00183   0.00268   0.00451   1.11546
   D315      -3.08501   0.00021   0.00169   0.00240   0.00409  -3.08092
   D316      -0.96798   0.00020   0.00174   0.00271   0.00445  -0.96352
   D317      -1.03249   0.00001   0.00253   0.00324   0.00578  -1.02671
   D318       1.05474   0.00001   0.00239   0.00297   0.00536   1.06009
   D319      -3.11142   0.00000   0.00244   0.00328   0.00572  -3.10570
   D320      -0.96652   0.00010  -0.00941  -0.01730  -0.02672  -0.99324
   D321       1.13743   0.00010  -0.00840  -0.01513  -0.02354   1.11390
   D322      -2.97497   0.00017  -0.00903  -0.01577  -0.02480  -2.99976
   D323       3.10007  -0.00002   0.00183   0.00140   0.00323   3.10331
   D324      -1.08969   0.00001   0.00141   0.00098   0.00239  -1.08730
   D325       1.02046  -0.00002   0.00169   0.00096   0.00265   1.02311
   D326       1.06986  -0.00003   0.00170   0.00129   0.00299   1.07284
   D327      -3.11991  -0.00001   0.00128   0.00086   0.00215  -3.11776
   D328      -1.00976  -0.00003   0.00156   0.00084   0.00241  -1.00736
   D329      -1.04627  -0.00002   0.00176   0.00166   0.00342  -1.04285
   D330       1.04715   0.00001   0.00134   0.00124   0.00258   1.04973
   D331      -3.12589  -0.00002   0.00162   0.00121   0.00284  -3.12305
         Item               Value     Threshold  Converged?
 Maximum Force            0.001232     0.000450     NO 
 RMS     Force            0.000079     0.000300     YES
 Maximum Displacement     0.099935     0.001800     NO 
 RMS     Displacement     0.010087     0.001200     NO 
 Predicted change in Energy=-1.055327D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.592270    3.246879    0.121088
      2          6           0       -2.752296    1.866448    0.261607
      3          6           0       -1.649328    1.005260    0.210135
      4          6           0       -0.358096    1.557163    0.080638
      5          6           0       -0.205212    2.941121   -0.077909
      6          6           0       -1.307892    3.782208   -0.072030
      7          6           0       -1.785394   -0.462822    0.168506
      8          6           0       -0.654185   -1.287653    0.387927
      9          6           0        0.629938   -0.645809    0.817042
     10          6           0        0.825529    0.686331    0.150869
     11          6           0       -2.992516   -1.052327   -0.225388
     12          6           0       -3.088550   -2.424432   -0.462086
     13          6           0       -1.943396   -3.219931   -0.340189
     14          6           0       -0.748325   -2.650643    0.077440
     15          7           0        1.787752   -1.467735    0.902458
     16          6           0        3.038693   -0.960047    0.438817
     17          6           0        3.079456    0.323458   -0.153619
     18          7           0        1.958889    1.124911   -0.277808
     19          6           0        4.234028   -1.694953    0.492278
     20          6           0        5.421682   -1.166831    0.001659
     21          6           0        5.460487    0.105005   -0.589310
     22          6           0        4.281009    0.834260   -0.668911
     23          7           0       -3.722218    4.098312    0.164246
     24          7           0       -4.318256   -2.993330   -0.870922
     25          7           0        6.677918    0.631378   -1.090854
     26          6           0       -4.947364   -4.093686   -0.270430
     27          6           0       -6.163656   -4.353883   -0.949873
     28          6           0       -6.273843   -3.371788   -2.008884
     29          6           0       -5.121293   -2.549684   -1.931533
     30          6           0       -3.853383    5.249925    0.955465
     31          6           0       -5.126029    5.827103    0.718632
     32          6           0       -5.794562    4.990479   -0.256266
     33          6           0       -4.904170    3.934442   -0.574535
     34          6           0        7.250630    1.858562   -0.731964
     35          6           0        8.472495    2.018156   -1.433726
     36          6           0        8.643898    0.837170   -2.254142
     37          6           0        7.520444    0.004741   -2.017391
     38          6           0       -7.225422   -3.134133   -3.007135
     39          6           0       -7.015177   -2.098275   -3.912504
     40          6           0       -5.857111   -1.306647   -3.835383
     41          6           0       -4.894575   -1.521226   -2.850640
     42          6           0       -4.552198   -4.844435    0.839892
     43          6           0       -5.386650   -5.883036    1.247514
     44          6           0       -6.587517   -6.166372    0.575257
     45          6           0       -6.983200   -5.403514   -0.519262
     46          6           0       -7.044657    5.053278   -0.882136
     47          6           0       -7.388032    4.076451   -1.811951
     48          6           0       -6.487872    3.045889   -2.129198
     49          6           0       -5.236377    2.962647   -1.522599
     50          6           0       -2.967437    5.793188    1.889945
     51          6           0       -3.364413    6.944828    2.566215
     52          6           0       -4.614127    7.540898    2.328673
     53          6           0       -5.500118    6.983984    1.411506
     54          6           0        9.626731    0.426811   -3.162178
     55          6           0        9.476788   -0.790310   -3.820140
     56          6           0        8.349881   -1.595882   -3.584511
     57          6           0        7.356920   -1.211617   -2.685948
     58          6           0        6.798437    2.817419    0.178447
     59          6           0        7.582381    3.953921    0.364591
     60          6           0        8.789373    4.134476   -0.331949
     61          6           0        9.240387    3.170205   -1.228123
     62          8           0        0.467525   -3.063622    2.701229
     63         15           0        1.770320   -2.796973    2.064316
     64          8           0        2.994257   -2.514545    3.057286
     65          8           0        2.365795   -3.948864    1.112349
     66          6           0        2.788223   -1.953682    4.396747
     67          6           0        3.694163   -0.752302    4.574232
     68          6           0        2.584122   -5.286895    1.654554
     69          6           0        1.336827   -6.144448    1.534096
     70          1           0       -3.747047    1.474726    0.434351
     71          1           0        0.795116    3.339154   -0.202609
     72          1           0       -1.187250    4.850455   -0.212336
     73          1           0       -3.869412   -0.438027   -0.386115
     74          1           0       -1.987565   -4.271655   -0.599178
     75          1           0        0.130773   -3.277697    0.105279
     76          1           0        4.253958   -2.683447    0.921773
     77          1           0        6.334449   -1.747191    0.080253
     78          1           0        4.251416    1.811991   -1.135301
     79          1           0       -8.113823   -3.755171   -3.076708
     80          1           0       -7.746829   -1.903753   -4.690489
     81          1           0       -5.701114   -0.514629   -4.561935
     82          1           0       -3.995408   -0.916608   -2.811454
     83          1           0       -3.634989   -4.623370    1.374176
     84          1           0       -5.101667   -6.481504    2.107678
     85          1           0       -7.213993   -6.983714    0.918712
     86          1           0       -7.918197   -5.614997   -1.030042
     87          1           0       -7.735992    5.857007   -0.645836
     88          1           0       -8.357020    4.111417   -2.300033
     89          1           0       -6.768600    2.293607   -2.860272
     90          1           0       -4.545488    2.170707   -1.787777
     91          1           0       -2.007598    5.332453    2.093595
     92          1           0       -2.691784    7.385651    3.295949
     93          1           0       -4.891730    8.439036    2.871581
     94          1           0       -6.472413    7.436416    1.238893
     95          1           0       10.492868    1.053819   -3.353512
     96          1           0       10.232962   -1.119765   -4.525937
     97          1           0        8.245596   -2.537378   -4.115714
     98          1           0        6.484358   -1.833612   -2.519512
     99          1           0        5.872027    2.683214    0.725644
    100          1           0        7.250998    4.714366    1.065504
    101          1           0        9.374970    5.033267   -0.165330
    102          1           0       10.178052    3.306656   -1.759253
    103          1           0        1.736328   -1.690095    4.515884
    104          1           0        3.036771   -2.758067    5.094724
    105          1           0        3.605518   -0.380951    5.600558
    106          1           0        4.739623   -1.016403    4.392255
    107          1           0        3.405603    0.051740    3.893145
    108          1           0        3.408776   -5.689519    1.061854
    109          1           0        2.920411   -5.203627    2.692865
    110          1           0        1.546179   -7.150383    1.913048
    111          1           0        0.516286   -5.714793    2.112931
    112          1           0        1.027324   -6.231220    0.488682
    113         17           0        0.311075    0.113842    2.774526
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351649           0.0181716           0.0142630
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10696.0667508725 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000508    0.000081   -0.000109 Ang=   0.06 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48651191     A.U. after   10 cycles
            NFock= 10  Conv=0.32D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000039265    0.000029329   -0.000012965
      2        6           0.000094108   -0.000080065    0.000026568
      3        6          -0.000039526    0.000190679    0.000051425
      4        6           0.000011630   -0.000040521    0.000054044
      5        6          -0.000010753   -0.000038422   -0.000031515
      6        6          -0.000059524   -0.000029322   -0.000031011
      7        6          -0.000013227   -0.000158839    0.000009606
      8        6          -0.000143415   -0.000131747    0.000049386
      9        6           0.000297487   -0.000026314    0.000038895
     10        6           0.000015972    0.000173517   -0.000118925
     11        6           0.000038074    0.000079676   -0.000003079
     12        6           0.000038035   -0.000052788    0.000014758
     13        6          -0.000128329    0.000016166    0.000004658
     14        6           0.000035636    0.000087520    0.000052251
     15        7          -0.000029764    0.000019383    0.000068688
     16        6          -0.000028598   -0.000092011   -0.000084662
     17        6          -0.000138758    0.000104211    0.000108030
     18        7           0.000010456   -0.000135186    0.000141995
     19        6           0.000134101    0.000026053   -0.000077336
     20        6          -0.000091700    0.000002895    0.000029251
     21        6           0.000063585    0.000131066   -0.000040983
     22        6           0.000117357   -0.000038896   -0.000062687
     23        7          -0.000043501    0.000062088   -0.000000602
     24        7           0.000007608    0.000024545   -0.000106573
     25        7          -0.000013578   -0.000113407    0.000040101
     26        6          -0.000017016    0.000016410    0.000004307
     27        6           0.000001910    0.000001846    0.000000729
     28        6          -0.000003476   -0.000014357    0.000018063
     29        6           0.000044241   -0.000031639    0.000032590
     30        6          -0.000023674   -0.000143005    0.000047451
     31        6          -0.000040506   -0.000059914    0.000051697
     32        6           0.000037872    0.000058251   -0.000035100
     33        6           0.000041337    0.000066546   -0.000013228
     34        6           0.000062794    0.000022033    0.000025033
     35        6           0.000004985   -0.000061841    0.000056184
     36        6          -0.000033372    0.000035828   -0.000053613
     37        6          -0.000061325    0.000071701   -0.000040126
     38        6           0.000017970    0.000027163   -0.000003706
     39        6          -0.000001427   -0.000004200    0.000016161
     40        6           0.000002826   -0.000054115    0.000029607
     41        6          -0.000010338    0.000024221    0.000010820
     42        6          -0.000031070   -0.000006077   -0.000020046
     43        6          -0.000010804    0.000012931   -0.000013011
     44        6          -0.000009149    0.000018360   -0.000002990
     45        6           0.000017256   -0.000001834    0.000012912
     46        6           0.000008130   -0.000048714    0.000002532
     47        6           0.000015703    0.000014893    0.000007852
     48        6           0.000032409    0.000014090    0.000014105
     49        6          -0.000024753    0.000003506   -0.000015646
     50        6          -0.000003569    0.000026310   -0.000028695
     51        6          -0.000007326   -0.000003886   -0.000012631
     52        6          -0.000004948   -0.000001253   -0.000020190
     53        6           0.000034254    0.000030126   -0.000016738
     54        6           0.000006454   -0.000018872    0.000027725
     55        6          -0.000007566   -0.000009714    0.000020446
     56        6           0.000011576    0.000005978    0.000009440
     57        6           0.000009703   -0.000013522    0.000017641
     58        6           0.000009067    0.000007176   -0.000005339
     59        6           0.000005103   -0.000015109   -0.000011334
     60        6           0.000005294   -0.000001325    0.000006530
     61        6          -0.000043955    0.000012288   -0.000010310
     62        8           0.000050505    0.000027108   -0.000122249
     63       15          -0.000059867   -0.000003791    0.000298960
     64        8           0.000052578   -0.000239614   -0.000146458
     65        8          -0.000054944    0.000228405   -0.000503606
     66        6          -0.000008629    0.000442496    0.000148178
     67        6          -0.000049761   -0.000014229    0.000018822
     68        6          -0.000090211   -0.000075385    0.000245379
     69        6           0.000064656    0.000062378    0.000088362
     70        1          -0.000014552    0.000024575    0.000016790
     71        1          -0.000012460   -0.000011346   -0.000008631
     72        1           0.000012205    0.000003246   -0.000001788
     73        1           0.000006140   -0.000019208    0.000013987
     74        1           0.000026238   -0.000002411   -0.000000625
     75        1          -0.000013440   -0.000031700    0.000007051
     76        1          -0.000070753   -0.000146117   -0.000024415
     77        1          -0.000011725   -0.000019364    0.000009343
     78        1          -0.000054739   -0.000015397    0.000012087
     79        1           0.000001122   -0.000001965   -0.000003454
     80        1           0.000004188   -0.000004003   -0.000000387
     81        1          -0.000000899    0.000019047   -0.000020284
     82        1          -0.000015663   -0.000021178   -0.000015560
     83        1           0.000018681   -0.000000784    0.000009940
     84        1           0.000002439   -0.000004252   -0.000002540
     85        1           0.000001332    0.000000949   -0.000000784
     86        1           0.000003375    0.000000204   -0.000003919
     87        1          -0.000023872    0.000019226    0.000007804
     88        1          -0.000005854   -0.000001808    0.000000358
     89        1          -0.000009598   -0.000003590    0.000001587
     90        1           0.000000704    0.000000258    0.000015749
     91        1          -0.000004468    0.000001041    0.000000384
     92        1          -0.000004025    0.000000299   -0.000001385
     93        1          -0.000002371   -0.000002973    0.000004399
     94        1          -0.000000619   -0.000000112    0.000005731
     95        1          -0.000002672    0.000001422   -0.000009524
     96        1           0.000000998    0.000003778   -0.000002748
     97        1          -0.000000276    0.000000718   -0.000010578
     98        1           0.000007570    0.000010592   -0.000004223
     99        1           0.000011389    0.000003829   -0.000009659
    100        1          -0.000000762    0.000004719   -0.000002159
    101        1          -0.000001565   -0.000005327    0.000000492
    102        1           0.000006630    0.000001276   -0.000001892
    103        1          -0.000076165   -0.000338045    0.000157029
    104        1           0.000034621   -0.000021021   -0.000023022
    105        1          -0.000017104    0.000006268   -0.000026022
    106        1           0.000034428   -0.000018986    0.000003137
    107        1           0.000000219    0.000001963   -0.000012262
    108        1           0.000101116   -0.000033196    0.000051166
    109        1           0.000031536    0.000071598    0.000000861
    110        1           0.000033102    0.000010082   -0.000054129
    111        1          -0.000035618   -0.000014071   -0.000015801
    112        1          -0.000054111    0.000049587   -0.000017465
    113       17          -0.000006296    0.000064920   -0.000300462
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000503606 RMS     0.000071910

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001554832 RMS     0.000101555
 Search for a local minimum.
 Step number  39 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
 DE= -1.79D-05 DEPred=-1.06D-05 R= 1.70D+00
 TightC=F SS=  1.41D+00  RLast= 9.14D-02 DXNew= 1.0744D+00 2.7408D-01
 Trust test= 1.70D+00 RLast= 9.14D-02 DXMaxT set to 6.39D-01
 ITU=  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1
 ITU=  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00097   0.00350   0.00428   0.00642   0.00697
     Eigenvalues ---    0.01006   0.01427   0.01663   0.01969   0.02429
     Eigenvalues ---    0.02485   0.02512   0.02542   0.02554   0.02586
     Eigenvalues ---    0.02602   0.02636   0.02671   0.02681   0.02694
     Eigenvalues ---    0.02698   0.02705   0.02712   0.02723   0.02743
     Eigenvalues ---    0.02757   0.02768   0.02772   0.02794   0.02797
     Eigenvalues ---    0.02802   0.02807   0.02812   0.02814   0.02827
     Eigenvalues ---    0.02833   0.02848   0.02861   0.02867   0.02874
     Eigenvalues ---    0.02875   0.02883   0.02886   0.02896   0.02900
     Eigenvalues ---    0.02903   0.02905   0.02909   0.02914   0.02917
     Eigenvalues ---    0.02920   0.02927   0.02938   0.02944   0.02947
     Eigenvalues ---    0.02950   0.02950   0.02952   0.02955   0.02960
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02973   0.02976
     Eigenvalues ---    0.02989   0.02992   0.02995   0.02999   0.03005
     Eigenvalues ---    0.03017   0.03026   0.03028   0.03047   0.03055
     Eigenvalues ---    0.03058   0.03060   0.03065   0.03079   0.03094
     Eigenvalues ---    0.03100   0.03107   0.03123   0.03133   0.03141
     Eigenvalues ---    0.03162   0.03175   0.03176   0.03189   0.03192
     Eigenvalues ---    0.03226   0.03243   0.03257   0.03276   0.03324
     Eigenvalues ---    0.03497   0.03551   0.03893   0.04870   0.05117
     Eigenvalues ---    0.05381   0.05716   0.05759   0.05884   0.05943
     Eigenvalues ---    0.05966   0.06159   0.06477   0.07922   0.09945
     Eigenvalues ---    0.11847   0.12057   0.13536   0.13899   0.14189
     Eigenvalues ---    0.15172   0.15901   0.15929   0.15979   0.15989
     Eigenvalues ---    0.15994   0.15994   0.15997   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16007   0.16008   0.16013   0.16028   0.16047
     Eigenvalues ---    0.16079   0.16118   0.16174   0.16374   0.18020
     Eigenvalues ---    0.19684   0.20644   0.21517   0.21995   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22004   0.22225   0.22306
     Eigenvalues ---    0.22353   0.22454   0.22542   0.22588   0.22600
     Eigenvalues ---    0.22614   0.22616   0.22662   0.22749   0.23114
     Eigenvalues ---    0.23293   0.23469   0.23571   0.23787   0.24218
     Eigenvalues ---    0.24409   0.24436   0.24480   0.24489   0.24525
     Eigenvalues ---    0.24542   0.24618   0.24750   0.24812   0.24905
     Eigenvalues ---    0.24929   0.24969   0.24978   0.24979   0.24983
     Eigenvalues ---    0.24989   0.24993   0.25012   0.25043   0.25147
     Eigenvalues ---    0.25392   0.25808   0.25971   0.26606   0.27164
     Eigenvalues ---    0.27484   0.28303   0.28744   0.28847   0.29197
     Eigenvalues ---    0.29332   0.29616   0.29869   0.30159   0.30440
     Eigenvalues ---    0.30605   0.30661   0.30768   0.30926   0.31003
     Eigenvalues ---    0.31130   0.31232   0.31272   0.31425   0.31529
     Eigenvalues ---    0.31699   0.31739   0.32136   0.32234   0.32544
     Eigenvalues ---    0.33135   0.33396   0.33510   0.33965   0.34052
     Eigenvalues ---    0.34227   0.34496   0.34669   0.34937   0.35152
     Eigenvalues ---    0.35274   0.35468   0.35555   0.35808   0.36390
     Eigenvalues ---    0.36779   0.37156   0.37309   0.39016   0.39807
     Eigenvalues ---    0.40131   0.41535   0.42039   0.42718   0.42855
     Eigenvalues ---    0.43380   0.43792   0.45265   0.45492   0.46839
     Eigenvalues ---    0.47088   0.47109   0.47230   0.47459   0.47824
     Eigenvalues ---    0.47833   0.49654   0.50049   0.50309   0.50568
     Eigenvalues ---    0.51068   0.51287   0.51747   0.51915   0.52158
     Eigenvalues ---    0.52284   0.52472   0.52749   0.53107   0.53304
     Eigenvalues ---    0.53465   0.53790   0.54303   0.54351   0.55029
     Eigenvalues ---    0.55307   0.55613   0.55697   0.55859   0.56091
     Eigenvalues ---    0.56188   0.56309   0.56462   0.56681   0.56852
     Eigenvalues ---    0.56950   0.57158   0.57528   0.58147   0.58232
     Eigenvalues ---    0.58287   0.58315   0.58462   0.58585   0.58653
     Eigenvalues ---    0.58921   0.59145   0.59481   0.59752   0.59834
     Eigenvalues ---    0.60052   0.60673   0.60884   0.61645   0.62069
     Eigenvalues ---    0.63249   0.63535   0.64331   0.65120   0.65850
     Eigenvalues ---    0.66705   0.67693   0.68094   0.68923   0.72104
     Eigenvalues ---    0.73106   0.74621   0.76930   0.80764   0.80918
     Eigenvalues ---    0.85618   1.06315   4.84901
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    39   38   37   36   35   34   33   32   31   30
 RFO step:  Lambda=-2.75200830D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 RFO-DIIS uses    6 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.37808   -0.47579   -0.43449   -0.99454    0.25894
                  RFO-DIIS coefs:    0.26781    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01605421 RMS(Int)=  0.00029704
 Iteration  2 RMS(Cart)=  0.00059428 RMS(Int)=  0.00000077
 Iteration  3 RMS(Cart)=  0.00000039 RMS(Int)=  0.00000067
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63950   0.00003  -0.00006   0.00003  -0.00003   2.63947
    R2        2.65471  -0.00006   0.00010  -0.00005   0.00005   2.65476
    R3        2.67487   0.00004  -0.00001  -0.00001  -0.00002   2.67485
    R4        2.64618  -0.00004   0.00021  -0.00013   0.00008   2.64626
    R5        2.04651   0.00000  -0.00010   0.00008  -0.00002   2.04649
    R6        2.66488  -0.00001   0.00011  -0.00013  -0.00002   2.66486
    R7        2.78727   0.00013  -0.00053   0.00017  -0.00037   2.78691
    R8        2.64821  -0.00004  -0.00001  -0.00007  -0.00008   2.64813
    R9        2.78005  -0.00002   0.00054  -0.00012   0.00042   2.78047
   R10        2.62077  -0.00000   0.00007  -0.00003   0.00005   2.62082
   R11        2.04810  -0.00002   0.00005  -0.00005   0.00000   2.04810
   R12        2.04876   0.00000  -0.00004  -0.00000  -0.00004   2.04872
   R13        2.67790  -0.00002   0.00008  -0.00003   0.00005   2.67795
   R14        2.64549  -0.00003   0.00020  -0.00014   0.00006   2.64555
   R15        2.83148   0.00012  -0.00163   0.00077  -0.00086   2.83062
   R16        2.64765  -0.00006   0.00042  -0.00021   0.00022   2.64786
   R17        2.83877   0.00003   0.00005   0.00024   0.00029   2.83906
   R18        2.68806  -0.00018  -0.00060   0.00040  -0.00020   2.68786
   R19        2.43520  -0.00007   0.00002  -0.00013  -0.00011   2.43509
   R20        2.63745   0.00004  -0.00015   0.00003  -0.00012   2.63733
   R21        2.04592  -0.00002  -0.00000   0.00003   0.00003   2.04595
   R22        2.64498  -0.00008   0.00036  -0.00018   0.00018   2.64516
   R23        2.67446  -0.00000  -0.00009  -0.00002  -0.00011   2.67435
   R24        2.62304   0.00002  -0.00020   0.00011  -0.00009   2.62296
   R25        2.04854   0.00000  -0.00002  -0.00001  -0.00003   2.04851
   R26        2.04124   0.00000   0.00002  -0.00006  -0.00005   2.04120
   R27        2.69746  -0.00014   0.00040  -0.00014   0.00026   2.69772
   R28        3.33637  -0.00030   0.00014  -0.00007   0.00007   3.33644
   R29        2.67250  -0.00003  -0.00025   0.00003  -0.00022   2.67228
   R30        2.65355   0.00001  -0.00001   0.00001  -0.00000   2.65355
   R31        2.61399  -0.00003   0.00103  -0.00025   0.00078   2.61477
   R32        2.65247   0.00006  -0.00039   0.00014  -0.00025   2.65222
   R33        2.62539  -0.00005   0.00025  -0.00016   0.00009   2.62547
   R34        2.03703   0.00012  -0.00030   0.00014  -0.00016   2.03687
   R35        2.65123   0.00007  -0.00008   0.00004  -0.00004   2.65119
   R36        2.04941  -0.00000  -0.00003   0.00002  -0.00001   2.04940
   R37        2.62483   0.00002   0.00015  -0.00005   0.00011   2.62493
   R38        2.67965  -0.00006   0.00010  -0.00016  -0.00006   2.67959
   R39        2.04785  -0.00001  -0.00003   0.00001  -0.00002   2.04783
   R40        2.65198  -0.00005   0.00012  -0.00005   0.00007   2.65206
   R41        2.65213  -0.00004   0.00001  -0.00001  -0.00000   2.65213
   R42        2.65044   0.00000  -0.00006   0.00002  -0.00004   2.65039
   R43        2.65006  -0.00004   0.00038  -0.00012   0.00026   2.65032
   R44        2.64749   0.00003  -0.00003   0.00004   0.00002   2.64751
   R45        2.64629  -0.00002   0.00024  -0.00008   0.00016   2.64645
   R46        2.67829  -0.00003   0.00010  -0.00007   0.00004   2.67833
   R47        2.64061  -0.00001   0.00003  -0.00001   0.00002   2.64063
   R48        2.73727  -0.00005   0.00016  -0.00010   0.00006   2.73733
   R49        2.64481  -0.00002   0.00003  -0.00003  -0.00000   2.64481
   R50        2.67929   0.00000  -0.00001  -0.00002  -0.00003   2.67926
   R51        2.64460  -0.00002   0.00007  -0.00006   0.00001   2.64461
   R52        2.64149  -0.00001  -0.00001  -0.00002  -0.00004   2.64145
   R53        2.67838  -0.00000   0.00001  -0.00002  -0.00001   2.67838
   R54        2.64108  -0.00002   0.00003  -0.00002   0.00001   2.64109
   R55        2.73671  -0.00004   0.00013  -0.00010   0.00003   2.73674
   R56        2.64453  -0.00001   0.00004  -0.00003   0.00001   2.64454
   R57        2.67869  -0.00001   0.00008  -0.00005   0.00003   2.67872
   R58        2.64453  -0.00000  -0.00000  -0.00001  -0.00001   2.64452
   R59        2.64127  -0.00001   0.00005  -0.00003   0.00002   2.64130
   R60        2.67974  -0.00004   0.00019  -0.00011   0.00008   2.67983
   R61        2.64071  -0.00001   0.00008  -0.00006   0.00003   2.64073
   R62        2.73664  -0.00002   0.00008  -0.00006   0.00002   2.73666
   R63        2.64504  -0.00001   0.00002  -0.00004  -0.00002   2.64502
   R64        2.67991  -0.00001   0.00003  -0.00006  -0.00003   2.67988
   R65        2.64486  -0.00001   0.00005  -0.00004   0.00001   2.64487
   R66        2.64105  -0.00000   0.00002  -0.00002   0.00001   2.64105
   R67        2.62998  -0.00004   0.00012  -0.00007   0.00005   2.63003
   R68        2.05258   0.00000  -0.00002   0.00001  -0.00001   2.05257
   R69        2.65487  -0.00002   0.00003  -0.00004  -0.00001   2.65487
   R70        2.05139  -0.00000   0.00003  -0.00003  -0.00001   2.05138
   R71        2.63360  -0.00001   0.00009  -0.00005   0.00004   2.63364
   R72        2.05234   0.00003  -0.00013   0.00005  -0.00008   2.05226
   R73        2.04894  -0.00003   0.00005  -0.00004   0.00002   2.04895
   R74        2.63287  -0.00001   0.00003  -0.00003   0.00000   2.63287
   R75        2.04894   0.00002   0.00003  -0.00013  -0.00010   2.04884
   R76        2.65524  -0.00002   0.00003  -0.00003   0.00000   2.65524
   R77        2.05213   0.00000  -0.00003   0.00001  -0.00002   2.05211
   R78        2.62970  -0.00003   0.00011  -0.00007   0.00003   2.62974
   R79        2.05145  -0.00000   0.00000  -0.00001  -0.00000   2.05144
   R80        2.05263  -0.00000  -0.00000  -0.00000  -0.00000   2.05263
   R81        2.62981  -0.00002   0.00007  -0.00005   0.00001   2.62983
   R82        2.05256   0.00003  -0.00009   0.00001  -0.00008   2.05249
   R83        2.65437  -0.00001   0.00003  -0.00002   0.00001   2.65438
   R84        2.05136   0.00001  -0.00004   0.00002  -0.00002   2.05134
   R85        2.63285  -0.00003   0.00005  -0.00004   0.00001   2.63286
   R86        2.05208   0.00000  -0.00003   0.00001  -0.00002   2.05205
   R87        2.04826  -0.00001  -0.00001  -0.00000  -0.00001   2.04824
   R88        2.63290  -0.00001   0.00001  -0.00001   0.00000   2.63290
   R89        2.04845  -0.00000   0.00000  -0.00004  -0.00004   2.04841
   R90        2.65472  -0.00001   0.00007  -0.00006   0.00001   2.65473
   R91        2.05213  -0.00000   0.00000  -0.00001  -0.00000   2.05213
   R92        2.62959  -0.00003   0.00010  -0.00007   0.00003   2.62962
   R93        2.05143   0.00000  -0.00000   0.00000   0.00000   2.05143
   R94        2.05264   0.00000  -0.00000   0.00000  -0.00000   2.05263
   R95        2.62990  -0.00001   0.00003  -0.00003   0.00000   2.62990
   R96        2.05272   0.00000   0.00000  -0.00002  -0.00002   2.05270
   R97        2.65531  -0.00002   0.00005  -0.00004   0.00001   2.65531
   R98        2.05145   0.00000  -0.00002   0.00000  -0.00002   2.05144
   R99        2.63280  -0.00000   0.00002  -0.00002   0.00001   2.63280
   R100       2.05230   0.00001  -0.00004   0.00001  -0.00003   2.05228
   R101       2.04924  -0.00001  -0.00001   0.00000  -0.00001   2.04922
   R102       2.63266  -0.00001   0.00009  -0.00006   0.00003   2.63270
   R103       2.04900  -0.00002   0.00001  -0.00001  -0.00000   2.04900
   R104       2.65545  -0.00002  -0.00000  -0.00002  -0.00003   2.65542
   R105       2.05222   0.00000  -0.00002   0.00001  -0.00001   2.05221
   R106       2.62961  -0.00002   0.00005  -0.00004   0.00002   2.62963
   R107       2.05147  -0.00001   0.00004  -0.00003   0.00001   2.05149
   R108       2.05271   0.00001  -0.00005   0.00002  -0.00003   2.05268
   R109       2.78633  -0.00011   0.00014  -0.00015  -0.00001   2.78632
   R110       3.02579  -0.00016  -0.00001  -0.00009  -0.00010   3.02569
   R111       3.03987  -0.00005  -0.00028  -0.00014  -0.00041   3.03945
   R112       2.77164   0.00001  -0.00380   0.00118  -0.00262   2.76901
   R113       2.75925   0.00003  -0.00152   0.00039  -0.00113   2.75812
   R114       2.86313  -0.00004   0.00092  -0.00021   0.00071   2.86385
   R115       2.06158   0.00002   0.00037   0.00001   0.00038   2.06196
   R116       2.06662   0.00002   0.00008  -0.00004   0.00005   2.06667
   R117       2.06932  -0.00002   0.00012  -0.00004   0.00008   2.06940
   R118       2.06651   0.00003  -0.00013   0.00002  -0.00011   2.06640
   R119       2.06459   0.00001  -0.00018   0.00003  -0.00015   2.06444
   R120       2.86943  -0.00008   0.00032  -0.00011   0.00021   2.86964
   R121       2.06444   0.00005   0.00000  -0.00001  -0.00001   2.06442
   R122       2.06846   0.00001  -0.00006   0.00006   0.00000   2.06847
   R123       2.06952  -0.00001   0.00002  -0.00004  -0.00003   2.06949
   R124       2.06399   0.00001   0.00011  -0.00000   0.00010   2.06410
   R125       2.06682   0.00003  -0.00006   0.00004  -0.00003   2.06679
   R126       5.45010   0.00020   0.07169   0.00412   0.07581   5.52592
    A1        2.08885  -0.00002   0.00015  -0.00009   0.00005   2.08890
    A2        2.09435   0.00003  -0.00010   0.00005  -0.00005   2.09429
    A3        2.09997  -0.00001  -0.00005   0.00005  -0.00000   2.09996
    A4        2.11049   0.00001  -0.00006  -0.00003  -0.00009   2.11040
    A5        2.07005  -0.00004   0.00034  -0.00009   0.00025   2.07030
    A6        2.10240   0.00002  -0.00027   0.00011  -0.00015   2.10224
    A7        2.07591   0.00000  -0.00019   0.00018  -0.00000   2.07590
    A8        2.14184  -0.00000   0.00024  -0.00017   0.00007   2.14191
    A9        2.06169   0.00000   0.00001  -0.00004  -0.00003   2.06167
   A10        2.09069  -0.00002   0.00034  -0.00020   0.00014   2.09083
   A11        2.09514   0.00005  -0.00054   0.00023  -0.00031   2.09482
   A12        2.09695  -0.00003   0.00019  -0.00002   0.00017   2.09712
   A13        2.10797   0.00003  -0.00023   0.00011  -0.00013   2.10785
   A14        2.06735  -0.00002   0.00024  -0.00014   0.00010   2.06746
   A15        2.10786  -0.00001  -0.00001   0.00003   0.00002   2.10788
   A16        2.09025   0.00000   0.00003   0.00001   0.00004   2.09029
   A17        2.08864   0.00001  -0.00020   0.00008  -0.00012   2.08852
   A18        2.10429  -0.00001   0.00016  -0.00009   0.00008   2.10437
   A19        2.09594  -0.00001   0.00002   0.00004   0.00006   2.09600
   A20        2.10205   0.00001   0.00007  -0.00024  -0.00017   2.10189
   A21        2.07920  -0.00000  -0.00002   0.00016   0.00015   2.07935
   A22        2.07047  -0.00003   0.00039  -0.00009   0.00030   2.07077
   A23        2.06950   0.00001  -0.00023  -0.00010  -0.00032   2.06918
   A24        2.13859   0.00002  -0.00022   0.00019  -0.00003   2.13856
   A25        1.94384   0.00007  -0.00001  -0.00022  -0.00023   1.94361
   A26        2.05698   0.00005   0.00040  -0.00005   0.00035   2.05733
   A27        2.01867  -0.00005  -0.00056   0.00015  -0.00041   2.01827
   A28        2.02789  -0.00004  -0.00005  -0.00001  -0.00005   2.02783
   A29        2.08319   0.00009  -0.00080   0.00037  -0.00043   2.08276
   A30        2.16983  -0.00005   0.00087  -0.00037   0.00050   2.17033
   A31        2.11886  -0.00001   0.00023  -0.00012   0.00011   2.11897
   A32        2.09582   0.00001  -0.00044   0.00015  -0.00029   2.09553
   A33        2.06793  -0.00001   0.00020  -0.00002   0.00018   2.06811
   A34        2.08023  -0.00001  -0.00018   0.00003  -0.00014   2.08009
   A35        2.09898   0.00005   0.00004  -0.00008  -0.00004   2.09894
   A36        2.10318  -0.00004   0.00014   0.00004   0.00018   2.10336
   A37        2.09153   0.00001   0.00001   0.00000   0.00001   2.09154
   A38        2.09124   0.00002  -0.00028   0.00014  -0.00014   2.09110
   A39        2.10002  -0.00003   0.00027  -0.00015   0.00012   2.10015
   A40        2.12176  -0.00000   0.00019   0.00002   0.00021   2.12198
   A41        2.09941   0.00003  -0.00029   0.00012  -0.00017   2.09924
   A42        2.06050  -0.00003   0.00006  -0.00013  -0.00007   2.06043
   A43        2.08094   0.00014   0.00046  -0.00013   0.00033   2.08127
   A44        2.05614  -0.00036   0.00122  -0.00033   0.00089   2.05702
   A45        2.08309   0.00018  -0.00064   0.00025  -0.00039   2.08270
   A46        2.07615  -0.00006   0.00011  -0.00003   0.00009   2.07624
   A47        2.15017  -0.00002   0.00037  -0.00009   0.00028   2.15045
   A48        2.05601   0.00008  -0.00049   0.00013  -0.00036   2.05566
   A49        2.14135  -0.00002  -0.00023   0.00009  -0.00014   2.14121
   A50        2.10452  -0.00005   0.00066  -0.00021   0.00045   2.10497
   A51        2.03717   0.00008  -0.00043   0.00012  -0.00031   2.03687
   A52        2.07763   0.00005  -0.00058   0.00029  -0.00029   2.07734
   A53        2.11217  -0.00005   0.00017  -0.00003   0.00013   2.11230
   A54        2.10696  -0.00005   0.00086  -0.00037   0.00049   2.10745
   A55        2.06404   0.00010  -0.00104   0.00041  -0.00063   2.06341
   A56        2.11414   0.00004  -0.00003   0.00006   0.00003   2.11418
   A57        2.08343  -0.00004  -0.00002  -0.00009  -0.00011   2.08332
   A58        2.08561   0.00001   0.00005   0.00003   0.00008   2.08569
   A59        2.06758  -0.00003  -0.00005  -0.00007  -0.00012   2.06746
   A60        2.10510  -0.00001   0.00026  -0.00006   0.00020   2.10530
   A61        2.11050   0.00004  -0.00021   0.00013  -0.00008   2.11042
   A62        2.11158   0.00001  -0.00024   0.00012  -0.00012   2.11145
   A63        2.05213  -0.00006   0.00069  -0.00045   0.00024   2.05237
   A64        2.11946   0.00005  -0.00045   0.00033  -0.00012   2.11934
   A65        2.19618  -0.00002   0.00009  -0.00002   0.00007   2.19625
   A66        2.19692   0.00003  -0.00018   0.00008  -0.00010   2.19682
   A67        1.89008  -0.00001   0.00010  -0.00006   0.00003   1.89012
   A68        2.19127  -0.00005   0.00029  -0.00006   0.00024   2.19151
   A69        2.20046   0.00006  -0.00030   0.00009  -0.00022   2.20024
   A70        1.89141  -0.00001   0.00002  -0.00003  -0.00001   1.89140
   A71        2.19631   0.00001  -0.00005   0.00001  -0.00004   2.19627
   A72        2.19501   0.00000   0.00000   0.00000  -0.00000   2.19501
   A73        1.89179  -0.00002   0.00000  -0.00001  -0.00001   1.89178
   A74        1.90045   0.00001  -0.00002   0.00003   0.00001   1.90046
   A75        2.25862   0.00000  -0.00001   0.00002   0.00001   2.25863
   A76        2.12349  -0.00002   0.00003  -0.00005  -0.00002   2.12347
   A77        1.86638  -0.00001   0.00006  -0.00003   0.00003   1.86641
   A78        2.08600   0.00002  -0.00006   0.00005  -0.00001   2.08599
   A79        2.33074  -0.00001   0.00000  -0.00002  -0.00002   2.33072
   A80        1.86650   0.00001  -0.00001   0.00003   0.00001   1.86651
   A81        2.33004  -0.00002   0.00003  -0.00003  -0.00000   2.33003
   A82        2.08655   0.00001  -0.00002   0.00001  -0.00001   2.08654
   A83        1.90004   0.00000  -0.00004   0.00001  -0.00004   1.90000
   A84        2.26163   0.00002   0.00001  -0.00000   0.00001   2.26164
   A85        2.12069  -0.00002   0.00004  -0.00000   0.00003   2.12073
   A86        1.90063   0.00002  -0.00008   0.00004  -0.00004   1.90059
   A87        2.26101  -0.00000  -0.00013   0.00007  -0.00006   2.26096
   A88        2.12072  -0.00002   0.00017  -0.00010   0.00007   2.12079
   A89        1.86684  -0.00001   0.00003  -0.00001   0.00002   1.86686
   A90        2.08741   0.00001  -0.00010   0.00005  -0.00005   2.08736
   A91        2.32879   0.00000   0.00005  -0.00004   0.00002   2.32881
   A92        1.86666  -0.00001   0.00001   0.00000   0.00001   1.86666
   A93        2.32885   0.00000  -0.00000  -0.00002  -0.00003   2.32883
   A94        2.08763   0.00001  -0.00001   0.00002   0.00002   2.08765
   A95        1.90057   0.00001  -0.00006   0.00004  -0.00002   1.90054
   A96        2.26323  -0.00001   0.00009  -0.00003   0.00006   2.26329
   A97        2.11880  -0.00001  -0.00004  -0.00001  -0.00004   2.11876
   A98        1.90080  -0.00000   0.00004  -0.00004  -0.00000   1.90079
   A99        2.25965   0.00001   0.00011  -0.00000   0.00011   2.25976
   A100       2.12235  -0.00001  -0.00016   0.00005  -0.00011   2.12224
   A101       1.86561   0.00001  -0.00006   0.00006  -0.00000   1.86560
   A102       2.08593  -0.00000   0.00012  -0.00005   0.00008   2.08601
   A103       2.33160  -0.00001  -0.00007  -0.00001  -0.00008   2.33152
   A104       1.86539  -0.00000   0.00007  -0.00004   0.00004   1.86542
   A105       2.33196   0.00000  -0.00009   0.00002  -0.00007   2.33190
   A106       2.08577   0.00000   0.00001   0.00002   0.00002   2.08579
   A107       1.90119   0.00001  -0.00005   0.00003  -0.00002   1.90118
   A108       2.25954  -0.00000   0.00005  -0.00004   0.00001   2.25955
   A109       2.12199  -0.00001  -0.00003   0.00001  -0.00002   2.12197
   A110       2.08026   0.00001  -0.00003   0.00002  -0.00002   2.08024
   A111       2.09988  -0.00000   0.00009  -0.00004   0.00005   2.09993
   A112       2.10302  -0.00000  -0.00005   0.00002  -0.00003   2.10300
   A113       2.10390  -0.00001   0.00006  -0.00004   0.00002   2.10392
   A114       2.09183   0.00000  -0.00006   0.00003  -0.00004   2.09179
   A115       2.08742   0.00001   0.00000   0.00002   0.00002   2.08744
   A116       2.11923   0.00001  -0.00010   0.00007  -0.00003   2.11920
   A117       2.08587  -0.00001   0.00006  -0.00003   0.00003   2.08590
   A118       2.07806  -0.00000   0.00004  -0.00004  -0.00000   2.07805
   A119       2.05542  -0.00000   0.00005  -0.00005   0.00000   2.05542
   A120       2.11886   0.00001   0.00002   0.00000   0.00002   2.11888
   A121       2.10882  -0.00001  -0.00006   0.00004  -0.00002   2.10880
   A122       2.05285   0.00000   0.00003   0.00000   0.00003   2.05288
   A123       2.11909   0.00000  -0.00009   0.00005  -0.00004   2.11905
   A124       2.11119  -0.00001   0.00006  -0.00005   0.00001   2.11120
   A125       2.12024   0.00001  -0.00006   0.00003  -0.00002   2.12022
   A126       2.07760  -0.00000  -0.00003   0.00003  -0.00000   2.07760
   A127       2.08533  -0.00000   0.00008  -0.00006   0.00002   2.08535
   A128       2.10456  -0.00001   0.00005  -0.00004   0.00001   2.10457
   A129       2.08710   0.00000  -0.00001   0.00002   0.00001   2.08711
   A130       2.09150   0.00000  -0.00003   0.00002  -0.00002   2.09149
   A131       2.07901   0.00000   0.00000   0.00001   0.00001   2.07902
   A132       2.10063  -0.00000   0.00008  -0.00005   0.00003   2.10066
   A133       2.10352   0.00000  -0.00008   0.00004  -0.00004   2.10349
   A134       2.08028  -0.00001   0.00004  -0.00002   0.00001   2.08030
   A135       2.09957   0.00001  -0.00004   0.00001  -0.00003   2.09955
   A136       2.10332   0.00000  -0.00000   0.00002   0.00001   2.10334
   A137       2.10340   0.00000  -0.00003   0.00001  -0.00002   2.10338
   A138       2.09215  -0.00000  -0.00002   0.00002   0.00000   2.09215
   A139       2.08763  -0.00000   0.00005  -0.00003   0.00002   2.08765
   A140       2.11900   0.00001  -0.00000   0.00001   0.00000   2.11900
   A141       2.08824  -0.00001   0.00007  -0.00003   0.00004   2.08827
   A142       2.07595   0.00001  -0.00007   0.00003  -0.00004   2.07591
   A143       2.05701   0.00000   0.00003  -0.00001   0.00002   2.05703
   A144       2.12052  -0.00001   0.00009  -0.00004   0.00006   2.12058
   A145       2.10563   0.00001  -0.00013   0.00005  -0.00008   2.10555
   A146       2.05469   0.00000  -0.00007   0.00005  -0.00002   2.05467
   A147       2.11964  -0.00000   0.00001  -0.00002  -0.00001   2.11963
   A148       2.10880  -0.00000   0.00006  -0.00003   0.00003   2.10883
   A149       2.12012   0.00001  -0.00005   0.00002  -0.00003   2.12009
   A150       2.07742  -0.00000   0.00007  -0.00004   0.00003   2.07745
   A151       2.08564  -0.00001  -0.00002   0.00002   0.00000   2.08564
   A152       2.10371  -0.00001   0.00008  -0.00004   0.00003   2.10374
   A153       2.08744   0.00000   0.00000   0.00001   0.00001   2.08745
   A154       2.09201   0.00000  -0.00008   0.00003  -0.00005   2.09196
   A155       2.07943   0.00000  -0.00003   0.00003  -0.00000   2.07943
   A156       2.10010   0.00000   0.00002  -0.00000   0.00002   2.10012
   A157       2.10363  -0.00000   0.00001  -0.00002  -0.00002   2.10361
   A158       2.08001   0.00000   0.00002  -0.00002  -0.00000   2.08001
   A159       2.10014   0.00000   0.00001  -0.00000   0.00000   2.10014
   A160       2.10302  -0.00001  -0.00003   0.00003   0.00000   2.10302
   A161       2.10427   0.00000  -0.00003   0.00002  -0.00001   2.10425
   A162       2.09180  -0.00000   0.00006  -0.00005   0.00001   2.09180
   A163       2.08711   0.00000  -0.00002   0.00003   0.00000   2.08711
   A164       2.11955  -0.00000   0.00000  -0.00000  -0.00000   2.11954
   A165       2.08518  -0.00000   0.00008  -0.00003   0.00004   2.08522
   A166       2.07845   0.00001  -0.00008   0.00004  -0.00004   2.07841
   A167       2.05464   0.00000   0.00003  -0.00002   0.00001   2.05465
   A168       2.11757  -0.00000   0.00005  -0.00001   0.00003   2.11760
   A169       2.11095  -0.00000  -0.00008   0.00004  -0.00004   2.11091
   A170       2.05412   0.00001   0.00005  -0.00002   0.00004   2.05416
   A171       2.11804  -0.00001   0.00011  -0.00003   0.00008   2.11813
   A172       2.11102  -0.00000  -0.00017   0.00005  -0.00012   2.11090
   A173       2.11991  -0.00000   0.00002   0.00001   0.00003   2.11994
   A174       2.07803   0.00000  -0.00002  -0.00001  -0.00003   2.07800
   A175       2.08524  -0.00000   0.00001  -0.00000   0.00001   2.08525
   A176       2.10434  -0.00001   0.00003  -0.00005  -0.00002   2.10432
   A177       2.08706   0.00000  -0.00001   0.00002   0.00001   2.08708
   A178       2.09177   0.00001  -0.00001   0.00002   0.00001   2.09178
   A179       2.07961   0.00001  -0.00006   0.00005  -0.00001   2.07960
   A180       2.10034  -0.00000   0.00007  -0.00006   0.00001   2.10035
   A181       2.10323  -0.00000  -0.00001   0.00001   0.00000   2.10323
   A182       2.01434  -0.00011  -0.00042   0.00059   0.00017   2.01451
   A183       1.84187  -0.00024  -0.00120   0.00105  -0.00014   1.84172
   A184       1.71734   0.00016   0.00083  -0.00018   0.00066   1.71800
   A185       2.02575  -0.00005   0.00031  -0.00005   0.00026   2.02601
   A186       2.04116   0.00006   0.00101  -0.00113  -0.00012   2.04104
   A187       1.78272   0.00022  -0.00064  -0.00024  -0.00088   1.78184
   A188       2.12519  -0.00155   0.00436  -0.00123   0.00313   2.12832
   A189       2.08494  -0.00079   0.00372  -0.00141   0.00231   2.08724
   A190       1.90308   0.00014   0.00446  -0.00030   0.00416   1.90724
   A191       1.90453  -0.00057  -0.00112   0.00106  -0.00007   1.90446
   A192       1.84385   0.00018  -0.00176  -0.00078  -0.00254   1.84131
   A193       1.95213   0.00025   0.00043  -0.00030   0.00013   1.95226
   A194       1.95257  -0.00010  -0.00092  -0.00007  -0.00099   1.95159
   A195       1.90409   0.00009  -0.00120   0.00039  -0.00082   1.90327
   A196       1.90741   0.00000  -0.00002  -0.00012  -0.00014   1.90726
   A197       1.93976  -0.00001  -0.00093  -0.00002  -0.00095   1.93881
   A198       1.93114  -0.00000   0.00009   0.00011   0.00020   1.93134
   A199       1.89153   0.00001  -0.00008   0.00002  -0.00006   1.89147
   A200       1.88949  -0.00000   0.00007  -0.00009  -0.00001   1.88948
   A201       1.90340   0.00001   0.00088   0.00010   0.00098   1.90438
   A202       1.94470  -0.00011  -0.00020  -0.00015  -0.00036   1.94434
   A203       1.82258   0.00005   0.00024   0.00017   0.00041   1.82300
   A204       1.90549  -0.00001   0.00110  -0.00026   0.00084   1.90633
   A205       1.94861   0.00004  -0.00018   0.00008  -0.00010   1.94851
   A206       1.95043   0.00009  -0.00108   0.00029  -0.00079   1.94965
   A207       1.88680  -0.00006   0.00025  -0.00014   0.00011   1.88691
   A208       1.91163  -0.00003   0.00042  -0.00020   0.00021   1.91185
   A209       1.93147   0.00006  -0.00127   0.00061  -0.00066   1.93081
   A210       1.93166  -0.00002   0.00067  -0.00021   0.00046   1.93212
   A211       1.89818   0.00002  -0.00064   0.00019  -0.00046   1.89772
   A212       1.88806   0.00002   0.00011  -0.00001   0.00009   1.88815
   A213       1.90199  -0.00004   0.00073  -0.00038   0.00035   1.90234
   A214       2.16721  -0.00101  -0.04564  -0.00202  -0.04766   2.11956
    D1       -0.00225   0.00001  -0.00056   0.00040  -0.00016  -0.00241
    D2        3.11535  -0.00001   0.00022   0.00016   0.00038   3.11573
    D3        3.13167   0.00002  -0.00066   0.00047  -0.00019   3.13148
    D4       -0.03392   0.00000   0.00011   0.00024   0.00036  -0.03356
    D5       -0.03669  -0.00001   0.00049  -0.00024   0.00025  -0.03644
    D6        3.10804   0.00000   0.00047  -0.00032   0.00015   3.10819
    D7        3.11261  -0.00002   0.00060  -0.00032   0.00027   3.11288
    D8       -0.02585  -0.00001   0.00057  -0.00040   0.00017  -0.02567
    D9        2.26814  -0.00006   0.00263  -0.00120   0.00144   2.26958
   D10       -0.87114  -0.00006   0.00157  -0.00113   0.00044  -0.87070
   D11       -0.88118  -0.00005   0.00253  -0.00112   0.00141  -0.87977
   D12        2.26272  -0.00004   0.00147  -0.00105   0.00041   2.26314
   D13        0.05507   0.00000  -0.00004  -0.00009  -0.00013   0.05495
   D14       -2.99181  -0.00002  -0.00081   0.00022  -0.00060  -2.99241
   D15       -3.06208   0.00002  -0.00084   0.00015  -0.00068  -3.06276
   D16        0.17422  -0.00000  -0.00161   0.00046  -0.00116   0.17306
   D17       -0.06939  -0.00001   0.00067  -0.00035   0.00031  -0.06908
   D18        3.04147  -0.00002   0.00002   0.00014   0.00016   3.04164
   D19        2.98186   0.00001   0.00142  -0.00065   0.00077   2.98263
   D20       -0.19046  -0.00000   0.00078  -0.00016   0.00062  -0.18984
   D21       -2.91937   0.00002   0.00172  -0.00055   0.00118  -2.91819
   D22        0.34064   0.00002   0.00096  -0.00020   0.00076   0.34140
   D23        0.31619  -0.00000   0.00096  -0.00025   0.00071   0.31690
   D24       -2.70698  -0.00000   0.00020   0.00009   0.00029  -2.70669
   D25        0.03152   0.00001  -0.00073   0.00050  -0.00023   0.03130
   D26       -3.11285   0.00000  -0.00041   0.00032  -0.00009  -3.11294
   D27       -3.07931   0.00002  -0.00007   0.00000  -0.00007  -3.07938
   D28        0.05950   0.00002   0.00025  -0.00018   0.00007   0.05957
   D29       -0.35647   0.00004  -0.00143   0.00019  -0.00123  -0.35770
   D30        2.85449   0.00009  -0.00177   0.00032  -0.00145   2.85304
   D31        2.75429   0.00002  -0.00207   0.00069  -0.00138   2.75291
   D32       -0.31794   0.00008  -0.00241   0.00081  -0.00160  -0.31954
   D33        0.02196   0.00000   0.00015  -0.00020  -0.00005   0.02190
   D34       -3.12280  -0.00001   0.00017  -0.00013   0.00005  -3.12275
   D35       -3.11679   0.00000  -0.00018  -0.00002  -0.00020  -3.11699
   D36        0.02164  -0.00000  -0.00015   0.00005  -0.00010   0.02154
   D37        0.12307  -0.00003  -0.00169   0.00053  -0.00116   0.12192
   D38       -2.91799  -0.00004  -0.00103   0.00046  -0.00057  -2.91857
   D39       -3.13540  -0.00003  -0.00093   0.00017  -0.00076  -3.13616
   D40        0.10672  -0.00003  -0.00027   0.00010  -0.00018   0.10655
   D41        2.97489   0.00002   0.00102  -0.00054   0.00047   2.97537
   D42       -0.12968   0.00001   0.00127  -0.00078   0.00048  -0.12920
   D43       -0.04940   0.00002   0.00026  -0.00020   0.00006  -0.04934
   D44        3.12921   0.00001   0.00051  -0.00044   0.00007   3.12928
   D45       -0.64019   0.00004   0.00091  -0.00036   0.00055  -0.63964
   D46       -3.03345  -0.00003   0.00136  -0.00028   0.00107  -3.03237
   D47        2.39667   0.00004   0.00023  -0.00031  -0.00008   2.39660
   D48        0.00342  -0.00003   0.00068  -0.00023   0.00045   0.00387
   D49       -0.08512   0.00002   0.00012  -0.00002   0.00010  -0.08502
   D50        2.99617   0.00002  -0.00050   0.00013  -0.00037   2.99580
   D51       -3.12204   0.00002   0.00077  -0.00008   0.00069  -3.12135
   D52       -0.04075   0.00002   0.00015   0.00007   0.00022  -0.04053
   D53        0.75164  -0.00004   0.00067  -0.00002   0.00064   0.75229
   D54       -2.46316  -0.00009   0.00095  -0.00012   0.00083  -2.46232
   D55       -3.12067   0.00007   0.00066  -0.00019   0.00048  -3.12019
   D56       -0.05228   0.00002   0.00095  -0.00028   0.00067  -0.05161
   D57        2.42587   0.00009  -0.00236  -0.00011  -0.00248   2.42339
   D58       -1.09172   0.00002   0.00045  -0.00065  -0.00019  -1.09191
   D59        0.06382  -0.00003  -0.00215   0.00013  -0.00202   0.06180
   D60        2.82942  -0.00009   0.00067  -0.00041   0.00026   2.82969
   D61        3.09133  -0.00005   0.00140  -0.00010   0.00129   3.09262
   D62        0.02511   0.00001   0.00107   0.00001   0.00108   0.02620
   D63       -0.03285   0.00001  -0.00010   0.00021   0.00011  -0.03274
   D64       -3.13180   0.00000  -0.00007   0.00023   0.00016  -3.13165
   D65        3.07230   0.00002  -0.00037   0.00046   0.00009   3.07239
   D66       -0.02665   0.00002  -0.00033   0.00047   0.00014  -0.02652
   D67        0.05631  -0.00002  -0.00005  -0.00014  -0.00019   0.05612
   D68       -3.05529  -0.00001  -0.00009   0.00010   0.00001  -3.05528
   D69       -3.12803  -0.00001  -0.00009  -0.00016  -0.00024  -3.12827
   D70        0.04356   0.00000  -0.00013   0.00008  -0.00004   0.04352
   D71       -2.24105   0.00003  -0.00298   0.00061  -0.00236  -2.24342
   D72        0.88865   0.00002  -0.00096   0.00043  -0.00054   0.88811
   D73        0.94374   0.00002  -0.00293   0.00063  -0.00231   0.94144
   D74       -2.20974   0.00001  -0.00092   0.00044  -0.00048  -2.21022
   D75        0.00322   0.00001   0.00004   0.00005   0.00009   0.00331
   D76       -3.07936   0.00001   0.00066  -0.00010   0.00055  -3.07881
   D77        3.11466  -0.00001   0.00007  -0.00019  -0.00011   3.11455
   D78        0.03208  -0.00001   0.00069  -0.00034   0.00035   0.03243
   D79       -0.05360   0.00003   0.00141   0.00028   0.00169  -0.05191
   D80        3.13341   0.00004   0.00162  -0.00026   0.00136   3.13477
   D81       -2.81335   0.00022  -0.00186   0.00095  -0.00091  -2.81426
   D82        0.37366   0.00023  -0.00165   0.00041  -0.00124   0.37242
   D83        0.15816   0.00011  -0.00560   0.00276  -0.00284   0.15532
   D84       -2.10320   0.00047  -0.00469   0.00149  -0.00320  -2.10639
   D85        2.34441   0.00024  -0.00401   0.00157  -0.00244   2.34197
   D86        2.92328   0.00004  -0.00254   0.00215  -0.00039   2.92289
   D87        0.66192   0.00039  -0.00163   0.00088  -0.00075   0.66118
   D88       -1.17365   0.00016  -0.00095   0.00095   0.00001  -1.17365
   D89        0.02538  -0.00002   0.00066  -0.00058   0.00008   0.02546
   D90       -3.09747  -0.00001   0.00022  -0.00027  -0.00005  -3.09752
   D91        3.12402  -0.00003   0.00048  -0.00007   0.00041   3.12443
   D92        0.00117  -0.00003   0.00004   0.00023   0.00027   0.00144
   D93        3.11739   0.00001  -0.00044   0.00032  -0.00011   3.11728
   D94       -0.03076   0.00004  -0.00232   0.00121  -0.00111  -0.03187
   D95        0.02072   0.00002  -0.00024  -0.00020  -0.00045   0.02027
   D96       -3.12743   0.00005  -0.00213   0.00068  -0.00145  -3.12888
   D97       -0.01095  -0.00001  -0.00191   0.00043  -0.00148  -0.01242
   D98        3.11258  -0.00001  -0.00147   0.00013  -0.00134   3.11124
   D99       -0.01988   0.00001   0.00047  -0.00030   0.00017  -0.01971
   D100       3.11435   0.00000   0.00046  -0.00031   0.00015   3.11450
   D101       3.13937   0.00001   0.00006  -0.00002   0.00004   3.13941
   D102      -0.00959   0.00001   0.00005  -0.00002   0.00002  -0.00956
   D103      -0.02458   0.00000  -0.00006   0.00024   0.00019  -0.02440
   D104       3.11352   0.00000   0.00025   0.00016   0.00041   3.11394
   D105       3.12341  -0.00003   0.00178  -0.00062   0.00116   3.12456
   D106      -0.02167  -0.00003   0.00208  -0.00070   0.00138  -0.02029
   D107       0.00564  -0.00002   0.00056  -0.00030   0.00026   0.00590
   D108      -3.13757  -0.00000  -0.00028  -0.00001  -0.00029  -3.13786
   D109      -3.13246  -0.00002   0.00025  -0.00022   0.00003  -3.13243
   D110       0.00751  -0.00001  -0.00058   0.00007  -0.00052   0.00699
   D111       0.01638   0.00002  -0.00077   0.00033  -0.00044   0.01594
   D112      -3.11757   0.00002  -0.00076   0.00034  -0.00042  -3.11799
   D113      -3.12359   0.00000   0.00007   0.00004   0.00011  -3.12347
   D114       0.02565   0.00000   0.00008   0.00005   0.00013   0.02578
   D115      -2.18014   0.00003  -0.00129   0.00085  -0.00044  -2.18058
   D116       0.94693   0.00004  -0.00641   0.00102  -0.00539   0.94155
   D117       0.95979   0.00004  -0.00215   0.00114  -0.00101   0.95879
   D118      -2.19632   0.00005  -0.00726   0.00131  -0.00595  -2.20227
   D119       3.14141   0.00000  -0.00064  -0.00005  -0.00069   3.14072
   D120      -0.04393   0.00002  -0.00171   0.00032  -0.00140  -0.04533
   D121      -0.00215  -0.00000   0.00027  -0.00011   0.00016  -0.00199
   D122       3.09569   0.00002  -0.00080   0.00026  -0.00055   3.09514
   D123      -3.14047   0.00000   0.00060   0.00007   0.00067  -3.13980
   D124      -0.03593   0.00000   0.00040   0.00005   0.00044  -0.03549
   D125       0.00310   0.00000  -0.00031   0.00013  -0.00019   0.00291
   D126       3.10764   0.00000  -0.00051   0.00011  -0.00041   3.10723
   D127       3.12893  -0.00001   0.00139  -0.00005   0.00135   3.13028
   D128       0.02568  -0.00001   0.00144   0.00001   0.00145   0.02714
   D129      -0.00254  -0.00000  -0.00032   0.00011  -0.00020  -0.00274
   D130      -3.10579  -0.00000  -0.00027   0.00017  -0.00010  -3.10589
   D131      -3.13015   0.00001  -0.00141   0.00006  -0.00135  -3.13150
   D132       0.05531   0.00001  -0.00153   0.00005  -0.00148   0.05383
   D133       0.00125   0.00000   0.00031  -0.00009   0.00022   0.00147
   D134      -3.09648   0.00000   0.00020  -0.00011   0.00009  -3.09639
   D135       3.12752   0.00001  -0.00363   0.00004  -0.00359   3.12393
   D136       0.01589   0.00000  -0.00321  -0.00019  -0.00340   0.01249
   D137      -0.00166  -0.00000   0.00075  -0.00011   0.00064  -0.00102
   D138      -3.11329  -0.00000   0.00116  -0.00034   0.00083  -3.11246
   D139      -3.12856  -0.00001   0.00370  -0.00005   0.00365  -3.12491
   D140       0.04581  -0.00002   0.00495  -0.00028   0.00467   0.05048
   D141       0.00063   0.00000  -0.00067   0.00010  -0.00057   0.00006
   D142      -3.10819  -0.00001   0.00058  -0.00013   0.00044  -3.10774
   D143       0.00280   0.00000   0.00020  -0.00009   0.00011   0.00291
   D144      -3.12792   0.00000   0.00006  -0.00001   0.00006  -3.12787
   D145       3.10959   0.00000   0.00015  -0.00014   0.00002   3.10960
   D146      -0.02114   0.00000   0.00002  -0.00006  -0.00004  -0.02118
   D147       3.11958  -0.00000   0.00007  -0.00008  -0.00001   3.11958
   D148      -0.01111  -0.00000   0.00025  -0.00018   0.00007  -0.01104
   D149       0.02062  -0.00000   0.00012  -0.00001   0.00011   0.02073
   D150      -3.11007  -0.00000   0.00030  -0.00011   0.00019  -3.10989
   D151      -0.00200  -0.00000  -0.00000   0.00003   0.00002  -0.00198
   D152       3.12376  -0.00000  -0.00018   0.00018   0.00000   3.12376
   D153       3.12654  -0.00000   0.00016  -0.00007   0.00009   3.12663
   D154      -0.03088  -0.00000  -0.00002   0.00009   0.00007  -0.03081
   D155       0.00623   0.00000  -0.00017   0.00009  -0.00008   0.00615
   D156      -3.14151   0.00000  -0.00036   0.00007  -0.00028   3.14139
   D157      -3.12102   0.00000  -0.00035   0.00020  -0.00015  -3.12117
   D158       0.01442   0.00000  -0.00053   0.00017  -0.00036   0.01406
   D159       0.00048  -0.00000  -0.00019   0.00004  -0.00015   0.00034
   D160       3.10242  -0.00000  -0.00008   0.00005  -0.00003   3.10240
   D161      -3.12791   0.00000  -0.00005  -0.00009  -0.00013  -3.12804
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   D163      -3.11603   0.00000   0.00006  -0.00009  -0.00003  -3.11606
   D164       0.01933  -0.00000   0.00043  -0.00028   0.00014   0.01947
   D165       0.00816   0.00000  -0.00013   0.00008  -0.00005   0.00811
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   D167       3.11748  -0.00001   0.00023  -0.00003   0.00021   3.11769
   D168      -0.00986   0.00001  -0.00013   0.00045   0.00032  -0.00954
   D169       0.02458  -0.00000   0.00010  -0.00004   0.00006   0.02464
   D170      -3.10276   0.00001  -0.00026   0.00044   0.00017  -3.10258
   D171       0.00040  -0.00000  -0.00012   0.00005  -0.00008   0.00033
   D172       3.12629   0.00001  -0.00094   0.00023  -0.00072   3.12557
   D173      -3.10162  -0.00002   0.00085  -0.00029   0.00057  -3.10105
   D174       0.02426  -0.00000   0.00003  -0.00011  -0.00007   0.02419
   D175      -3.11676  -0.00002   0.00095  -0.00022   0.00073  -3.11604
   D176       0.01333  -0.00001   0.00108  -0.00022   0.00086   0.01419
   D177      -0.02372   0.00001  -0.00025   0.00019  -0.00006  -0.02378
   D178       3.10637   0.00001  -0.00012   0.00019   0.00007   3.10644
   D179       0.00147   0.00000  -0.00007   0.00003  -0.00004   0.00143
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   D181      -3.12132  -0.00002   0.00092  -0.00018   0.00073  -3.12059
   D182       0.03121  -0.00002   0.00127  -0.00034   0.00093   0.03214
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   D185       3.11383   0.00002  -0.00089   0.00020  -0.00069   3.11314
   D186      -0.02110   0.00002  -0.00099   0.00017  -0.00081  -0.02191
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   D189       3.12965   0.00000  -0.00006   0.00003  -0.00003   3.12962
   D190       0.02147   0.00000   0.00012   0.00005   0.00017   0.02164
   D191       3.12542   0.00000  -0.00030   0.00007  -0.00023   3.12519
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   D199       0.00201   0.00000  -0.00053   0.00008  -0.00045   0.00156
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   D209       3.12846   0.00001  -0.00066   0.00017  -0.00049   3.12797
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   D215       0.00061   0.00000   0.00034  -0.00005   0.00029   0.00090
   D216       3.11250   0.00001  -0.00079   0.00016  -0.00063   3.11187
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   D249      -3.14089   0.00000   0.00008   0.00000   0.00008  -3.14081
   D250       0.00686   0.00000   0.00027   0.00002   0.00029   0.00715
   D251      -0.01007   0.00000  -0.00021   0.00009  -0.00011  -0.01019
   D252       3.13577  -0.00000  -0.00008   0.00003  -0.00005   3.13572
   D253       3.12849   0.00000  -0.00016   0.00005  -0.00012   3.12837
   D254      -0.00885  -0.00000  -0.00004  -0.00002  -0.00005  -0.00891
   D255       0.00769  -0.00000   0.00011  -0.00003   0.00009   0.00777
   D256      -3.13660  -0.00001   0.00058  -0.00012   0.00045  -3.13615
   D257      -3.13814   0.00000  -0.00001   0.00004   0.00002  -3.13812
   D258       0.00076  -0.00000   0.00045  -0.00006   0.00039   0.00114
   D259       0.00911  -0.00000   0.00009  -0.00003   0.00007   0.00918
   D260      -3.12526  -0.00001   0.00033  -0.00016   0.00017  -3.12510
   D261      -3.12981   0.00000  -0.00037   0.00007  -0.00030  -3.13011
   D262       0.01900  -0.00000  -0.00013  -0.00007  -0.00020   0.01881
   D263       0.00675  -0.00000   0.00025  -0.00013   0.00012   0.00687
   D264      -3.14008  -0.00000   0.00011  -0.00005   0.00006  -3.14001
   D265      -3.12341  -0.00000   0.00012  -0.00013  -0.00001  -3.12343
   D266       0.01295  -0.00000  -0.00002  -0.00005  -0.00007   0.01287
   D267       0.00986  -0.00000  -0.00003  -0.00001  -0.00004   0.00982
   D268      -3.13968  -0.00000   0.00002  -0.00012  -0.00010  -3.13979
   D269      -3.12647  -0.00000   0.00011  -0.00009   0.00002  -3.12646
   D270       0.00717  -0.00000   0.00016  -0.00020  -0.00004   0.00712
   D271      -0.00953   0.00000  -0.00019   0.00010  -0.00010  -0.00963
   D272       3.12539   0.00000  -0.00010   0.00012   0.00002   3.12541
   D273       3.14004   0.00000  -0.00024   0.00020  -0.00004   3.14000
   D274      -0.00823   0.00000  -0.00014   0.00023   0.00008  -0.00814
   D275       0.00690   0.00000   0.00010   0.00002   0.00012   0.00702
   D276      -3.14051  -0.00000   0.00027  -0.00008   0.00020  -3.14031
   D277      -3.12961   0.00000  -0.00003  -0.00005  -0.00008  -3.12969
   D278       0.00617  -0.00000   0.00014  -0.00015  -0.00001   0.00616
   D279      -0.00717  -0.00000   0.00001   0.00000   0.00001  -0.00715
   D280       3.13012  -0.00000   0.00001  -0.00004  -0.00002   3.13010
   D281       3.14023   0.00000  -0.00016   0.00010  -0.00006   3.14017
   D282      -0.00567  -0.00000  -0.00016   0.00006  -0.00010  -0.00577
   D283      -0.00502   0.00000  -0.00021   0.00004  -0.00017  -0.00519
   D284       3.12800   0.00000  -0.00027   0.00007  -0.00020   3.12780
   D285       3.14086   0.00000  -0.00021   0.00008  -0.00014   3.14072
   D286      -0.00930   0.00000  -0.00027   0.00011  -0.00016  -0.00947
   D287      -0.00378   0.00000  -0.00006   0.00001  -0.00004  -0.00383
   D288       3.13952  -0.00000   0.00021  -0.00006   0.00015   3.13967
   D289       3.13380   0.00000  -0.00044   0.00014  -0.00030   3.13350
   D290      -0.00608  -0.00000  -0.00017   0.00007  -0.00010  -0.00619
   D291      -0.00645   0.00000  -0.00023   0.00006  -0.00016  -0.00661
   D292       3.13874  -0.00000  -0.00019   0.00002  -0.00017   3.13857
   D293       3.13343   0.00000  -0.00050   0.00014  -0.00036   3.13307
   D294      -0.00456   0.00000  -0.00046   0.00009  -0.00037  -0.00494
   D295       0.00574  -0.00001   0.00027  -0.00005   0.00023   0.00597
   D296      -3.13184  -0.00000   0.00025  -0.00007   0.00017  -3.13167
   D297      -3.13946  -0.00000   0.00024  -0.00000   0.00024  -3.13922
   D298       0.00614   0.00000   0.00021  -0.00003   0.00018   0.00632
   D299       1.78424  -0.00050  -0.00797   0.00088  -0.00709   1.77715
   D300      -0.47042  -0.00011  -0.00661  -0.00078  -0.00739  -0.47781
   D301      -2.71165  -0.00032  -0.00762   0.00091  -0.00671  -2.71836
   D302       3.11219  -0.00013   0.00842  -0.00196   0.00646   3.11865
   D303      -1.00377  -0.00012   0.00902  -0.00195   0.00708  -0.99670
   D304       1.22766   0.00003   0.00958  -0.00296   0.00663   1.23429
   D305      -2.23882   0.00005   0.05461   0.00150   0.05611  -2.18271
   D306      -0.10195   0.00009   0.05724   0.00162   0.05886  -0.04309
   D307       1.94310   0.00000   0.05434   0.00218   0.05652   1.99963
   D308       1.53088   0.00002   0.00580  -0.00041   0.00539   1.53627
   D309      -2.64620   0.00004   0.00562  -0.00029   0.00533  -2.64088
   D310      -0.63180  -0.00001   0.00654  -0.00049   0.00604  -0.62576
   D311      -3.05975  -0.00025   0.00982  -0.00036   0.00946  -3.05029
   D312      -0.97294  -0.00025   0.00913  -0.00042   0.00871  -0.96424
   D313       1.14445  -0.00025   0.00969  -0.00025   0.00944   1.15390
   D314       1.11546   0.00022   0.00796  -0.00130   0.00666   1.12212
   D315      -3.08092   0.00022   0.00727  -0.00137   0.00590  -3.07501
   D316      -0.96352   0.00022   0.00783  -0.00119   0.00664  -0.95688
   D317      -1.02671  -0.00001   0.00989  -0.00154   0.00835  -1.01837
   D318       1.06009  -0.00000   0.00920  -0.00161   0.00759   1.06769
   D319      -3.10570  -0.00000   0.00976  -0.00143   0.00833  -3.09737
   D320      -0.99324   0.00022  -0.04968   0.00173  -0.04795  -1.04118
   D321       1.11390   0.00016  -0.04457   0.00188  -0.04269   1.07120
   D322      -2.99976   0.00027  -0.04632   0.00187  -0.04445  -3.04422
   D323       3.10331  -0.00002   0.00594  -0.00277   0.00317   3.10648
   D324      -1.08730   0.00001   0.00462  -0.00229   0.00233  -1.08497
   D325       1.02311  -0.00001   0.00514  -0.00250   0.00264   1.02575
   D326       1.07284  -0.00004   0.00588  -0.00293   0.00295   1.07579
   D327      -3.11776  -0.00001   0.00456  -0.00245   0.00211  -3.11565
   D328      -1.00736  -0.00003   0.00508  -0.00266   0.00242  -1.00494
   D329      -1.04285  -0.00005   0.00645  -0.00301   0.00344  -1.03942
   D330       1.04973  -0.00002   0.00512  -0.00252   0.00260   1.05233
   D331      -3.12305  -0.00004   0.00564  -0.00274   0.00291  -3.12014
         Item               Value     Threshold  Converged?
 Maximum Force            0.001555     0.000450     NO 
 RMS     Force            0.000102     0.000300     YES
 Maximum Displacement     0.188312     0.001800     NO 
 RMS     Displacement     0.016014     0.001200     NO 
 Predicted change in Energy=-1.380198D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.593693    3.245975    0.119737
      2          6           0       -2.753137    1.865576    0.261070
      3          6           0       -1.649562    1.004999    0.211291
      4          6           0       -0.358561    1.557593    0.082537
      5          6           0       -0.206175    2.941495   -0.076594
      6          6           0       -1.309384    3.781938   -0.072286
      7          6           0       -1.784557   -0.463032    0.171294
      8          6           0       -0.653225   -1.286910    0.393794
      9          6           0        0.629946   -0.644179    0.822830
     10          6           0        0.825435    0.687024    0.154409
     11          6           0       -2.990855   -1.053646   -0.223576
     12          6           0       -3.086134   -2.426083   -0.458269
     13          6           0       -1.940796   -3.220982   -0.333153
     14          6           0       -0.746639   -2.650532    0.085355
     15          7           0        1.788258   -1.465026    0.910093
     16          6           0        3.038872   -0.958429    0.443954
     17          6           0        3.079318    0.323843   -0.150894
     18          7           0        1.958421    1.125540   -0.275146
     19          6           0        4.234376   -1.693048    0.497529
     20          6           0        5.421466   -1.165975    0.004293
     21          6           0        5.459614    0.104614   -0.589347
     22          6           0        4.280019    0.833822   -0.668617
     23          7           0       -3.724187    4.096759    0.160949
     24          7           0       -4.314966   -2.995861   -0.868302
     25          7           0        6.676353    0.630234   -1.093265
     26          6           0       -4.943783   -4.097034   -0.269059
     27          6           0       -6.158408   -4.358855   -0.950895
     28          6           0       -6.267786   -3.376999   -2.010253
     29          6           0       -5.116459   -2.553413   -1.930762
     30          6           0       -3.856431    5.249810    0.949957
     31          6           0       -5.129040    5.826126    0.710863
     32          6           0       -5.796371    4.987552   -0.263204
     33          6           0       -4.905307    3.931258   -0.578797
     34          6           0        7.248876    1.858523   -0.737833
     35          6           0        8.472434    2.014802   -1.437477
     36          6           0        8.645388    0.830276   -2.252468
     37          6           0        7.521124   -0.000795   -2.014895
     38          6           0       -7.217716   -3.140688   -3.010401
     39          6           0       -7.007030   -2.104608   -3.915456
     40          6           0       -5.850125   -1.311504   -3.836181
     41          6           0       -4.889224   -1.524797   -2.849533
     42          6           0       -4.549870   -4.847202    0.842114
     43          6           0       -5.383714   -5.886932    1.248101
     44          6           0       -6.582853   -6.171892    0.573451
     45          6           0       -6.977422   -5.409534   -0.521842
     46          6           0       -7.045823    5.048953   -0.890481
     47          6           0       -7.387949    4.070515   -1.819073
     48          6           0       -6.487085    3.039788   -2.133796
     49          6           0       -5.236184    2.957934   -1.525776
     50          6           0       -2.971783    5.794580    1.884794
     51          6           0       -3.369984    6.946946    2.559105
     52          6           0       -4.619700    7.542149    2.319373
     53          6           0       -5.504442    6.983675    1.401924
     54          6           0        9.629951    0.416115   -3.156905
     55          6           0        9.480953   -0.803478   -3.810494
     56          6           0        8.353220   -1.607698   -3.574182
     57          6           0        7.358471   -1.219569   -2.679258
     58          6           0        6.795339    2.821121    0.167972
     59          6           0        7.579496    3.957938    0.351397
     60          6           0        8.788038    4.135222   -0.343267
     61          6           0        9.240535    3.167189   -1.234636
     62          8           0        0.471118   -3.058591    2.713448
     63         15           0        1.772609   -2.793055    2.073416
     64          8           0        2.999086   -2.510276    3.063059
     65          8           0        2.365988   -3.946620    1.122540
     66          6           0        2.802176   -1.940303    4.398521
     67          6           0        3.655237   -0.695982    4.542183
     68          6           0        2.578092   -5.286426    1.661216
     69          6           0        1.329998   -6.141152    1.528208
     70          1           0       -3.747816    1.473161    0.432592
     71          1           0        0.794041    3.340027   -0.200616
     72          1           0       -1.189325    4.850166   -0.213069
     73          1           0       -3.867577   -0.439676   -0.386603
     74          1           0       -1.984248   -4.273102   -0.590574
     75          1           0        0.132698   -3.277120    0.115159
     76          1           0        4.255691   -2.680180    0.929860
     77          1           0        6.334203   -1.746387    0.082786
     78          1           0        4.249979    1.810752   -1.136632
     79          1           0       -8.105250   -3.762769   -3.081602
     80          1           0       -7.737418   -1.911131   -4.694883
     81          1           0       -5.693781   -0.519287   -4.562379
     82          1           0       -3.990827   -0.919126   -2.808756
     83          1           0       -3.634131   -4.624794    1.378256
     84          1           0       -5.099696   -6.484896    2.108925
     85          1           0       -7.208912   -6.990078    0.915647
     86          1           0       -7.911265   -5.622123   -1.034267
     87          1           0       -7.737599    5.852840   -0.656204
     88          1           0       -8.356447    4.104381   -2.308179
     89          1           0       -6.766611    2.286460   -2.864234
     90          1           0       -4.544739    2.165897   -1.789183
     91          1           0       -2.011993    5.334511    2.090070
     92          1           0       -2.698386    7.389008    3.289038
     93          1           0       -4.898356    8.440834    2.860837
     94          1           0       -6.476721    7.435498    1.227645
     95          1           0       10.496771    1.042010   -3.348725
     96          1           0       10.238543   -1.135976   -4.513325
     97          1           0        8.249653   -2.551181   -4.101959
     98          1           0        6.485237   -1.840515   -2.512469
     99          1           0        5.867869    2.689485    0.713995
    100          1           0        7.247104    4.721134    1.048826
    101          1           0        9.373667    5.034431   -0.178981
    102          1           0       10.179452    3.301041   -1.764181
    103          1           0        1.742216   -1.724981    4.542437
    104          1           0        3.105436   -2.724039    5.098398
    105          1           0        3.580588   -0.323034    5.569090
    106          1           0        4.705787   -0.912530    4.329640
    107          1           0        3.308140    0.089347    3.866731
    108          1           0        3.406372   -5.688631    1.073320
    109          1           0        2.906268   -5.208431    2.702530
    110          1           0        1.533403   -7.148031    1.907851
    111          1           0        0.505702   -5.710249    2.100851
    112          1           0        1.029301   -6.225884    0.480076
    113         17           0        0.308245    0.120432    2.784863
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351685           0.0181787           0.0142668
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.1996636418 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000764    0.000175   -0.000170 Ang=   0.09 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48652527     A.U. after   10 cycles
            NFock= 10  Conv=0.43D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000026618    0.000042697   -0.000000948
      2        6           0.000137176   -0.000116537   -0.000027436
      3        6          -0.000034995    0.000317893    0.000107818
      4        6           0.000106661   -0.000186534    0.000134956
      5        6          -0.000040063   -0.000027850   -0.000054454
      6        6          -0.000061561   -0.000058183   -0.000033629
      7        6          -0.000071463   -0.000193082    0.000033461
      8        6          -0.000175258   -0.000188153    0.000207289
      9        6           0.000554799    0.000108529   -0.000304872
     10        6          -0.000284838    0.000108401    0.000340002
     11        6           0.000059257    0.000157348    0.000012141
     12        6           0.000039583   -0.000095334    0.000038737
     13        6          -0.000154130    0.000036234    0.000014487
     14        6           0.000048068    0.000047025    0.000089913
     15        7          -0.000088710    0.000160524    0.000111362
     16        6          -0.000059210   -0.000097329   -0.000018339
     17        6          -0.000550373    0.000356350    0.000154645
     18        7           0.000409241   -0.000352276    0.000059146
     19        6           0.000241205    0.000037260   -0.000081173
     20        6          -0.000149904   -0.000053691    0.000030659
     21        6           0.000036582    0.000250678   -0.000067444
     22        6           0.000267586   -0.000046145   -0.000105915
     23        7          -0.000021232    0.000081315   -0.000024656
     24        7           0.000020719    0.000070404   -0.000186066
     25        7           0.000010538   -0.000231224    0.000076165
     26        6          -0.000032455   -0.000014857    0.000003626
     27        6           0.000011579    0.000004731    0.000002010
     28        6          -0.000004025   -0.000019375    0.000026163
     29        6           0.000064172   -0.000049190    0.000083901
     30        6          -0.000034448   -0.000201270    0.000058379
     31        6          -0.000049574   -0.000084862    0.000089029
     32        6           0.000052941    0.000071172   -0.000047498
     33        6           0.000030099    0.000087838   -0.000017019
     34        6           0.000102356    0.000086519    0.000030904
     35        6           0.000002728   -0.000103943    0.000094486
     36        6          -0.000058854    0.000058970   -0.000086646
     37        6          -0.000113713    0.000116950   -0.000057626
     38        6           0.000022280    0.000051715   -0.000001803
     39        6           0.000003559   -0.000019749    0.000025091
     40        6           0.000003620   -0.000082848    0.000058576
     41        6          -0.000010061    0.000030229   -0.000007954
     42        6          -0.000059807   -0.000002997   -0.000041791
     43        6          -0.000022220    0.000018454   -0.000018283
     44        6          -0.000008064    0.000026511   -0.000006034
     45        6           0.000018099    0.000001602    0.000028475
     46        6           0.000021930   -0.000072787   -0.000000855
     47        6           0.000029603    0.000013076    0.000013344
     48        6           0.000038112    0.000039831    0.000011553
     49        6          -0.000032496    0.000006890   -0.000011007
     50        6          -0.000013613    0.000049183   -0.000046890
     51        6          -0.000016884   -0.000002549   -0.000019008
     52        6          -0.000013035   -0.000003778   -0.000028785
     53        6           0.000052038    0.000048266   -0.000028462
     54        6           0.000010558   -0.000035217    0.000046569
     55        6          -0.000010878   -0.000019073    0.000035961
     56        6           0.000015369    0.000013989    0.000015005
     57        6           0.000023108   -0.000018015    0.000025028
     58        6           0.000014369    0.000004688   -0.000002479
     59        6           0.000010632   -0.000025185   -0.000010636
     60        6           0.000004064    0.000001106   -0.000000219
     61        6          -0.000072255    0.000023450   -0.000014307
     62        8           0.000034198    0.000052877   -0.000196204
     63       15          -0.000084813   -0.000065303    0.000640407
     64        8           0.000160540   -0.000400599   -0.000654514
     65        8          -0.000111679    0.000515683   -0.000820579
     66        6          -0.000177313    0.000638879    0.000764459
     67        6          -0.000035127   -0.000080666   -0.000035768
     68        6          -0.000123292   -0.000307096    0.000398345
     69        6           0.000055262    0.000112084    0.000162953
     70        1          -0.000018423    0.000048923    0.000053265
     71        1          -0.000015688   -0.000010907   -0.000005004
     72        1           0.000023809    0.000014911   -0.000005408
     73        1           0.000015519   -0.000047476    0.000018719
     74        1           0.000046574   -0.000009196   -0.000006537
     75        1           0.000008579   -0.000049082    0.000025278
     76        1          -0.000123303   -0.000230957   -0.000035118
     77        1          -0.000016051   -0.000014539    0.000031089
     78        1          -0.000083546   -0.000029015    0.000006700
     79        1           0.000004485   -0.000008855   -0.000005588
     80        1           0.000001736    0.000000195    0.000000357
     81        1           0.000003113    0.000035451   -0.000043636
     82        1          -0.000029299   -0.000024921   -0.000018756
     83        1           0.000046354    0.000002417    0.000029051
     84        1           0.000005780   -0.000010139   -0.000003497
     85        1          -0.000000191    0.000002791    0.000002859
     86        1           0.000009444   -0.000003240   -0.000014025
     87        1          -0.000044739    0.000035678    0.000014437
     88        1          -0.000011948   -0.000000895   -0.000005258
     89        1          -0.000019166   -0.000018512    0.000005147
     90        1           0.000004109    0.000001715    0.000018000
     91        1           0.000002143   -0.000006828    0.000012422
     92        1          -0.000003304   -0.000001178   -0.000001400
     93        1           0.000000419   -0.000002502    0.000004769
     94        1          -0.000003825   -0.000004344    0.000009519
     95        1          -0.000004811    0.000010155   -0.000016888
     96        1           0.000002121    0.000004768   -0.000009296
     97        1           0.000001992   -0.000004003   -0.000018838
     98        1           0.000008117    0.000010445   -0.000008969
     99        1           0.000016508    0.000007521   -0.000013520
    100        1          -0.000006192    0.000008937   -0.000006287
    101        1           0.000000778   -0.000014352    0.000004764
    102        1           0.000014872    0.000001693   -0.000006938
    103        1          -0.000066621   -0.000295495    0.000091650
    104        1           0.000059811   -0.000037285   -0.000081982
    105        1          -0.000048754    0.000012424   -0.000036719
    106        1           0.000095317   -0.000035893    0.000029703
    107        1          -0.000004455   -0.000016753   -0.000004926
    108        1           0.000124641   -0.000025839    0.000060595
    109        1           0.000048446    0.000126170   -0.000002960
    110        1           0.000056390    0.000007617   -0.000074345
    111        1          -0.000033397   -0.000021545   -0.000030812
    112        1          -0.000056652    0.000071599   -0.000025762
    113       17           0.000026400   -0.000073315   -0.000901600
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000901600 RMS     0.000143419

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005039776 RMS     0.000305215
 Search for a local minimum.
 Step number  40 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38   39   40
 DE= -1.34D-05 DEPred=-1.38D-05 R= 9.68D-01
 TightC=F SS=  1.41D+00  RLast= 1.59D-01 DXNew= 1.0744D+00 4.7678D-01
 Trust test= 9.68D-01 RLast= 1.59D-01 DXMaxT set to 6.39D-01
 ITU=  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1
 ITU=  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00131   0.00339   0.00445   0.00651   0.00716
     Eigenvalues ---    0.01008   0.01344   0.01686   0.01948   0.02393
     Eigenvalues ---    0.02478   0.02487   0.02542   0.02554   0.02586
     Eigenvalues ---    0.02602   0.02636   0.02669   0.02681   0.02691
     Eigenvalues ---    0.02698   0.02704   0.02712   0.02719   0.02742
     Eigenvalues ---    0.02756   0.02767   0.02772   0.02794   0.02797
     Eigenvalues ---    0.02802   0.02807   0.02812   0.02814   0.02827
     Eigenvalues ---    0.02833   0.02848   0.02862   0.02866   0.02872
     Eigenvalues ---    0.02875   0.02881   0.02886   0.02896   0.02899
     Eigenvalues ---    0.02902   0.02905   0.02909   0.02914   0.02917
     Eigenvalues ---    0.02920   0.02927   0.02937   0.02944   0.02946
     Eigenvalues ---    0.02950   0.02950   0.02951   0.02955   0.02960
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02972   0.02975
     Eigenvalues ---    0.02989   0.02992   0.02994   0.02999   0.03004
     Eigenvalues ---    0.03014   0.03025   0.03027   0.03043   0.03050
     Eigenvalues ---    0.03058   0.03059   0.03065   0.03079   0.03094
     Eigenvalues ---    0.03100   0.03106   0.03121   0.03131   0.03141
     Eigenvalues ---    0.03161   0.03175   0.03176   0.03187   0.03189
     Eigenvalues ---    0.03226   0.03242   0.03253   0.03276   0.03323
     Eigenvalues ---    0.03494   0.03553   0.03810   0.04847   0.05118
     Eigenvalues ---    0.05388   0.05683   0.05751   0.05867   0.05926
     Eigenvalues ---    0.05960   0.06162   0.06465   0.07992   0.09930
     Eigenvalues ---    0.11837   0.12044   0.13523   0.13897   0.14189
     Eigenvalues ---    0.15189   0.15902   0.15929   0.15981   0.15989
     Eigenvalues ---    0.15994   0.15994   0.15997   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16004
     Eigenvalues ---    0.16007   0.16008   0.16014   0.16029   0.16047
     Eigenvalues ---    0.16079   0.16121   0.16176   0.16329   0.18075
     Eigenvalues ---    0.19759   0.20645   0.21463   0.21995   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22004   0.22218   0.22306
     Eigenvalues ---    0.22360   0.22452   0.22544   0.22588   0.22600
     Eigenvalues ---    0.22614   0.22617   0.22662   0.22737   0.23094
     Eigenvalues ---    0.23273   0.23470   0.23554   0.23775   0.24173
     Eigenvalues ---    0.24399   0.24436   0.24480   0.24489   0.24525
     Eigenvalues ---    0.24541   0.24623   0.24751   0.24810   0.24895
     Eigenvalues ---    0.24924   0.24969   0.24977   0.24978   0.24982
     Eigenvalues ---    0.24988   0.24993   0.25008   0.25042   0.25147
     Eigenvalues ---    0.25336   0.25831   0.25968   0.26605   0.27162
     Eigenvalues ---    0.27460   0.28277   0.28744   0.28846   0.29189
     Eigenvalues ---    0.29333   0.29614   0.29862   0.30121   0.30350
     Eigenvalues ---    0.30525   0.30662   0.30738   0.30890   0.30964
     Eigenvalues ---    0.31130   0.31199   0.31271   0.31413   0.31529
     Eigenvalues ---    0.31648   0.31694   0.32136   0.32234   0.32542
     Eigenvalues ---    0.33135   0.33378   0.33509   0.33965   0.34049
     Eigenvalues ---    0.34227   0.34496   0.34669   0.34937   0.35152
     Eigenvalues ---    0.35257   0.35469   0.35556   0.35808   0.36390
     Eigenvalues ---    0.36778   0.37158   0.37309   0.39018   0.39508
     Eigenvalues ---    0.39939   0.41536   0.42039   0.42736   0.42860
     Eigenvalues ---    0.43379   0.43736   0.45264   0.45667   0.46993
     Eigenvalues ---    0.47085   0.47116   0.47216   0.47527   0.47829
     Eigenvalues ---    0.47902   0.49639   0.50064   0.50312   0.50574
     Eigenvalues ---    0.50993   0.51270   0.51723   0.51944   0.52150
     Eigenvalues ---    0.52347   0.52377   0.52676   0.53107   0.53315
     Eigenvalues ---    0.53456   0.53789   0.54304   0.54350   0.55030
     Eigenvalues ---    0.55306   0.55613   0.55696   0.55898   0.56121
     Eigenvalues ---    0.56191   0.56339   0.56462   0.56683   0.56848
     Eigenvalues ---    0.56940   0.57159   0.57512   0.58134   0.58232
     Eigenvalues ---    0.58287   0.58315   0.58447   0.58573   0.58656
     Eigenvalues ---    0.58918   0.59065   0.59444   0.59737   0.59821
     Eigenvalues ---    0.60050   0.60639   0.60881   0.61541   0.62031
     Eigenvalues ---    0.63251   0.63529   0.64309   0.65124   0.65840
     Eigenvalues ---    0.66517   0.66972   0.67821   0.68890   0.72092
     Eigenvalues ---    0.73106   0.74615   0.77226   0.80682   0.80781
     Eigenvalues ---    0.85458   1.07963   6.05329
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    40   39   38   37   36   35   34   33   32   31
 RFO step:  Lambda=-2.11349354D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=T Rises=F RFO-DIIS coefs:    0.52751    0.76952   -2.00000    2.07305   -0.23684
                  RFO-DIIS coefs:   -0.39184    0.25860    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00759561 RMS(Int)=  0.00000968
 Iteration  2 RMS(Cart)=  0.00003121 RMS(Int)=  0.00000069
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000069
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63947   0.00004   0.00000  -0.00001  -0.00001   2.63946
    R2        2.65476  -0.00007  -0.00015   0.00001  -0.00014   2.65462
    R3        2.67485   0.00005   0.00015   0.00001   0.00015   2.67500
    R4        2.64626  -0.00005  -0.00004   0.00002  -0.00002   2.64623
    R5        2.04649   0.00000   0.00003   0.00001   0.00004   2.04653
    R6        2.66486  -0.00004   0.00006  -0.00005   0.00001   2.66488
    R7        2.78691   0.00021   0.00035  -0.00015   0.00020   2.78710
    R8        2.64813  -0.00004   0.00002  -0.00005  -0.00003   2.64810
    R9        2.78047  -0.00014  -0.00022   0.00024   0.00003   2.78049
   R10        2.62082  -0.00003  -0.00002   0.00001  -0.00001   2.62082
   R11        2.04810  -0.00002  -0.00001  -0.00002  -0.00002   2.04808
   R12        2.04872   0.00001   0.00006  -0.00002   0.00004   2.04876
   R13        2.67795   0.00000  -0.00002   0.00003   0.00000   2.67795
   R14        2.64555  -0.00006  -0.00002  -0.00001  -0.00003   2.64552
   R15        2.83062   0.00005   0.00052  -0.00029   0.00023   2.83085
   R16        2.64786  -0.00007  -0.00022   0.00009  -0.00013   2.64773
   R17        2.83906  -0.00029   0.00006   0.00031   0.00037   2.83943
   R18        2.68786  -0.00045  -0.00008   0.00003  -0.00005   2.68781
   R19        2.43509   0.00012  -0.00002  -0.00013  -0.00014   2.43494
   R20        2.63733   0.00011   0.00012  -0.00006   0.00005   2.63738
   R21        2.04595  -0.00004  -0.00005   0.00003  -0.00001   2.04594
   R22        2.64516  -0.00008  -0.00020   0.00004  -0.00016   2.64499
   R23        2.67435  -0.00002   0.00008  -0.00008   0.00000   2.67435
   R24        2.62296  -0.00001   0.00008  -0.00000   0.00007   2.62303
   R25        2.04851   0.00001   0.00004  -0.00003   0.00002   2.04853
   R26        2.04120   0.00003   0.00003  -0.00006  -0.00003   2.04116
   R27        2.69772  -0.00032  -0.00013   0.00019   0.00005   2.69777
   R28        3.33644  -0.00057  -0.00033   0.00001  -0.00032   3.33612
   R29        2.67228   0.00000   0.00004  -0.00013  -0.00009   2.67219
   R30        2.65355   0.00001  -0.00002   0.00002  -0.00000   2.65354
   R31        2.61477  -0.00029  -0.00046   0.00042  -0.00004   2.61473
   R32        2.65222   0.00014   0.00020  -0.00010   0.00009   2.65231
   R33        2.62547  -0.00010  -0.00008  -0.00001  -0.00008   2.62539
   R34        2.03687   0.00019   0.00024  -0.00005   0.00018   2.03705
   R35        2.65119   0.00015   0.00005  -0.00000   0.00005   2.65124
   R36        2.04940  -0.00001  -0.00000   0.00001   0.00001   2.04940
   R37        2.62493   0.00001  -0.00008   0.00005  -0.00003   2.62491
   R38        2.67959  -0.00010   0.00006  -0.00009  -0.00003   2.67957
   R39        2.04783  -0.00002  -0.00000  -0.00001  -0.00001   2.04783
   R40        2.65206  -0.00007  -0.00020   0.00001  -0.00019   2.65186
   R41        2.65213  -0.00003  -0.00018  -0.00003  -0.00021   2.65192
   R42        2.65039   0.00003   0.00002   0.00000   0.00002   2.65041
   R43        2.65032  -0.00008  -0.00025   0.00012  -0.00013   2.65019
   R44        2.64751   0.00008  -0.00011   0.00003  -0.00008   2.64743
   R45        2.64645  -0.00005  -0.00018   0.00008  -0.00009   2.64636
   R46        2.67833  -0.00005  -0.00004   0.00001  -0.00002   2.67830
   R47        2.64063  -0.00002  -0.00004   0.00001  -0.00002   2.64061
   R48        2.73733  -0.00007  -0.00009   0.00001  -0.00008   2.73725
   R49        2.64481  -0.00003  -0.00003  -0.00001  -0.00003   2.64477
   R50        2.67926   0.00001   0.00002  -0.00002  -0.00000   2.67926
   R51        2.64461  -0.00003  -0.00002  -0.00001  -0.00003   2.64458
   R52        2.64145   0.00000   0.00001  -0.00003  -0.00002   2.64143
   R53        2.67838  -0.00000   0.00001  -0.00000   0.00001   2.67839
   R54        2.64109  -0.00002  -0.00004  -0.00000  -0.00004   2.64105
   R55        2.73674  -0.00006  -0.00005  -0.00000  -0.00006   2.73668
   R56        2.64454  -0.00001  -0.00000   0.00001   0.00000   2.64455
   R57        2.67872  -0.00001   0.00000   0.00001   0.00001   2.67873
   R58        2.64452  -0.00000   0.00001  -0.00000   0.00001   2.64453
   R59        2.64130  -0.00002  -0.00004   0.00001  -0.00003   2.64127
   R60        2.67983  -0.00007  -0.00008   0.00002  -0.00006   2.67977
   R61        2.64073  -0.00002  -0.00003   0.00000  -0.00003   2.64070
   R62        2.73666  -0.00003  -0.00004   0.00001  -0.00003   2.73663
   R63        2.64502  -0.00001   0.00002  -0.00002   0.00000   2.64503
   R64        2.67988  -0.00002   0.00003  -0.00003   0.00000   2.67988
   R65        2.64487  -0.00002  -0.00002   0.00000  -0.00002   2.64486
   R66        2.64105   0.00000  -0.00002   0.00000  -0.00002   2.64103
   R67        2.63003  -0.00006  -0.00007   0.00002  -0.00005   2.62998
   R68        2.05257   0.00000   0.00001  -0.00000   0.00000   2.05257
   R69        2.65487  -0.00003  -0.00001  -0.00002  -0.00003   2.65484
   R70        2.05138  -0.00000   0.00001  -0.00001   0.00000   2.05138
   R71        2.63364  -0.00002  -0.00005   0.00001  -0.00003   2.63361
   R72        2.05226   0.00005   0.00010  -0.00004   0.00005   2.05231
   R73        2.04895  -0.00004  -0.00004   0.00001  -0.00003   2.04892
   R74        2.63287  -0.00001  -0.00001  -0.00000  -0.00001   2.63286
   R75        2.04884   0.00005   0.00018  -0.00011   0.00007   2.04891
   R76        2.65524  -0.00003  -0.00002  -0.00001  -0.00002   2.65522
   R77        2.05211   0.00001   0.00001  -0.00001   0.00001   2.05212
   R78        2.62974  -0.00005  -0.00004   0.00000  -0.00004   2.62970
   R79        2.05144  -0.00000   0.00000  -0.00000  -0.00000   2.05144
   R80        2.05263  -0.00000   0.00000  -0.00000  -0.00000   2.05263
   R81        2.62983  -0.00003  -0.00002  -0.00000  -0.00003   2.62980
   R82        2.05249   0.00006   0.00012  -0.00005   0.00007   2.05256
   R83        2.65438  -0.00002   0.00001   0.00001   0.00002   2.65440
   R84        2.05134   0.00001   0.00002  -0.00001   0.00001   2.05135
   R85        2.63286  -0.00003  -0.00005  -0.00001  -0.00005   2.63280
   R86        2.05205   0.00001   0.00002  -0.00001   0.00001   2.05206
   R87        2.04824  -0.00000   0.00003   0.00001   0.00004   2.04828
   R88        2.63290  -0.00001  -0.00002  -0.00000  -0.00002   2.63288
   R89        2.04841   0.00001   0.00005  -0.00003   0.00003   2.04844
   R90        2.65473  -0.00002   0.00000  -0.00000  -0.00000   2.65473
   R91        2.05213  -0.00000   0.00000  -0.00000  -0.00000   2.05213
   R92        2.62962  -0.00005  -0.00004   0.00001  -0.00003   2.62959
   R93        2.05143   0.00000  -0.00000   0.00000   0.00000   2.05143
   R94        2.05263   0.00000   0.00001  -0.00000   0.00000   2.05263
   R95        2.62990  -0.00002  -0.00002   0.00000  -0.00002   2.62989
   R96        2.05270   0.00001   0.00003  -0.00002   0.00001   2.05271
   R97        2.65531  -0.00003  -0.00001  -0.00001  -0.00002   2.65530
   R98        2.05144   0.00001   0.00002  -0.00001   0.00001   2.05144
   R99        2.63280  -0.00000  -0.00001   0.00001  -0.00000   2.63280
   R100       2.05228   0.00001   0.00003  -0.00001   0.00001   2.05229
   R101       2.04922  -0.00001  -0.00000  -0.00001  -0.00001   2.04922
   R102       2.63270  -0.00002  -0.00003   0.00001  -0.00002   2.63267
   R103       2.04900  -0.00002  -0.00001  -0.00000  -0.00001   2.04899
   R104       2.65542  -0.00003   0.00001  -0.00002  -0.00001   2.65542
   R105       2.05221   0.00000   0.00001  -0.00000   0.00000   2.05221
   R106       2.62963  -0.00003  -0.00002   0.00000  -0.00001   2.62961
   R107       2.05149  -0.00001  -0.00001   0.00000  -0.00001   2.05148
   R108       2.05268   0.00002   0.00003  -0.00002   0.00002   2.05270
   R109       2.78632  -0.00014  -0.00003  -0.00006  -0.00009   2.78623
   R110       3.02569  -0.00054   0.00024  -0.00001   0.00023   3.02592
   R111       3.03945  -0.00009   0.00081  -0.00018   0.00064   3.04009
   R112       2.76901  -0.00012   0.00189  -0.00152   0.00037   2.76938
   R113       2.75812   0.00019   0.00097  -0.00065   0.00032   2.75844
   R114       2.86385  -0.00011  -0.00047   0.00049   0.00002   2.86386
   R115       2.06196  -0.00015  -0.00014   0.00027   0.00013   2.06209
   R116       2.06667   0.00001   0.00001   0.00004   0.00004   2.06671
   R117       2.06940  -0.00003  -0.00010   0.00005  -0.00005   2.06935
   R118       2.06640   0.00009   0.00015  -0.00008   0.00007   2.06647
   R119       2.06444  -0.00001   0.00011  -0.00009   0.00002   2.06446
   R120       2.86964  -0.00013  -0.00029   0.00012  -0.00018   2.86946
   R121       2.06442   0.00006   0.00008  -0.00001   0.00007   2.06450
   R122       2.06847   0.00002  -0.00003   0.00010   0.00006   2.06853
   R123       2.06949  -0.00001   0.00002  -0.00001   0.00001   2.06950
   R124       2.06410   0.00000  -0.00007   0.00007   0.00001   2.06411
   R125       2.06679   0.00004   0.00007   0.00003   0.00010   2.06689
   R126       5.52592   0.00040  -0.04714   0.05526   0.00812   5.53404
    A1        2.08890  -0.00004  -0.00001   0.00003   0.00002   2.08893
    A2        2.09429   0.00005   0.00010  -0.00004   0.00007   2.09436
    A3        2.09996  -0.00001  -0.00010   0.00001  -0.00009   2.09987
    A4        2.11040   0.00002   0.00010  -0.00006   0.00004   2.11044
    A5        2.07030  -0.00007  -0.00032   0.00007  -0.00024   2.07006
    A6        2.10224   0.00004   0.00021  -0.00000   0.00020   2.10244
    A7        2.07590   0.00001  -0.00009   0.00003  -0.00006   2.07584
    A8        2.14191   0.00002  -0.00003  -0.00001  -0.00004   2.14187
    A9        2.06167  -0.00002   0.00012   0.00001   0.00013   2.06179
   A10        2.09083  -0.00004  -0.00007   0.00004  -0.00003   2.09080
   A11        2.09482   0.00009   0.00030  -0.00009   0.00020   2.09503
   A12        2.09712  -0.00005  -0.00023   0.00006  -0.00017   2.09695
   A13        2.10785   0.00004   0.00010  -0.00004   0.00006   2.10790
   A14        2.06746  -0.00002  -0.00008   0.00002  -0.00007   2.06739
   A15        2.10788  -0.00002  -0.00002   0.00003   0.00001   2.10789
   A16        2.09029   0.00000  -0.00006   0.00001  -0.00005   2.09025
   A17        2.08852   0.00002   0.00009  -0.00004   0.00005   2.08857
   A18        2.10437  -0.00003  -0.00003   0.00003  -0.00000   2.10436
   A19        2.09600  -0.00006  -0.00002   0.00008   0.00006   2.09606
   A20        2.10189   0.00010   0.00012  -0.00019  -0.00007   2.10182
   A21        2.07935  -0.00005  -0.00012   0.00015   0.00003   2.07938
   A22        2.07077  -0.00007  -0.00010   0.00018   0.00008   2.07085
   A23        2.06918   0.00009   0.00027  -0.00028  -0.00001   2.06917
   A24        2.13856  -0.00001  -0.00013   0.00007  -0.00006   2.13850
   A25        1.94361   0.00020   0.00069  -0.00010   0.00058   1.94419
   A26        2.05733   0.00006  -0.00025   0.00027   0.00003   2.05736
   A27        2.01827  -0.00003   0.00016  -0.00021  -0.00005   2.01821
   A28        2.02783  -0.00003   0.00005  -0.00002   0.00003   2.02786
   A29        2.08276   0.00019   0.00027  -0.00018   0.00009   2.08284
   A30        2.17033  -0.00016  -0.00040   0.00017  -0.00023   2.17010
   A31        2.11897  -0.00002  -0.00004   0.00006   0.00002   2.11899
   A32        2.09553   0.00004   0.00017  -0.00014   0.00003   2.09556
   A33        2.06811  -0.00002  -0.00012   0.00008  -0.00004   2.06807
   A34        2.08009   0.00002   0.00007  -0.00011  -0.00004   2.08005
   A35        2.09894   0.00006   0.00027  -0.00004   0.00023   2.09916
   A36        2.10336  -0.00008  -0.00033   0.00015  -0.00018   2.10318
   A37        2.09154   0.00001   0.00004   0.00001   0.00005   2.09159
   A38        2.09110   0.00004   0.00015  -0.00004   0.00011   2.09121
   A39        2.10015  -0.00005  -0.00019   0.00003  -0.00017   2.09998
   A40        2.12198  -0.00004  -0.00015   0.00017   0.00002   2.12200
   A41        2.09924   0.00005   0.00026  -0.00003   0.00024   2.09948
   A42        2.06043  -0.00001  -0.00009  -0.00016  -0.00025   2.06017
   A43        2.08127   0.00031  -0.00004   0.00019   0.00015   2.08141
   A44        2.05702  -0.00119  -0.00059   0.00054  -0.00005   2.05697
   A45        2.08270   0.00077  -0.00009  -0.00032  -0.00040   2.08229
   A46        2.07624  -0.00020  -0.00005   0.00003  -0.00003   2.07621
   A47        2.15045   0.00000  -0.00027   0.00018  -0.00009   2.15036
   A48        2.05566   0.00020   0.00032  -0.00018   0.00014   2.05580
   A49        2.14121  -0.00005   0.00004  -0.00003   0.00001   2.14122
   A50        2.10497  -0.00014  -0.00034   0.00023  -0.00011   2.10485
   A51        2.03687   0.00019   0.00028  -0.00020   0.00008   2.03695
   A52        2.07734   0.00013   0.00027  -0.00008   0.00020   2.07753
   A53        2.11230  -0.00011  -0.00016   0.00005  -0.00011   2.11219
   A54        2.10745  -0.00007  -0.00062   0.00016  -0.00046   2.10699
   A55        2.06341   0.00019   0.00078  -0.00021   0.00057   2.06398
   A56        2.11418   0.00005   0.00002   0.00007   0.00009   2.11426
   A57        2.08332  -0.00006   0.00001  -0.00013  -0.00012   2.08319
   A58        2.08569   0.00000  -0.00003   0.00007   0.00004   2.08573
   A59        2.06746  -0.00001   0.00004  -0.00011  -0.00007   2.06739
   A60        2.10530  -0.00004  -0.00018   0.00011  -0.00007   2.10523
   A61        2.11042   0.00004   0.00015  -0.00000   0.00015   2.11056
   A62        2.11145   0.00001   0.00010  -0.00004   0.00006   2.11151
   A63        2.05237  -0.00009  -0.00022  -0.00002  -0.00024   2.05212
   A64        2.11934   0.00008   0.00012   0.00006   0.00018   2.11953
   A65        2.19625  -0.00003  -0.00012   0.00004  -0.00008   2.19617
   A66        2.19682   0.00006   0.00012  -0.00006   0.00006   2.19688
   A67        1.89012  -0.00003  -0.00000   0.00002   0.00002   1.89014
   A68        2.19151  -0.00009  -0.00034   0.00014  -0.00019   2.19131
   A69        2.20024   0.00011   0.00031  -0.00012   0.00020   2.20044
   A70        1.89140  -0.00002   0.00000  -0.00002  -0.00001   1.89139
   A71        2.19627   0.00002   0.00001  -0.00003  -0.00002   2.19625
   A72        2.19501   0.00000   0.00002   0.00001   0.00004   2.19505
   A73        1.89178  -0.00002   0.00002  -0.00001   0.00000   1.89178
   A74        1.90046   0.00002   0.00000   0.00000   0.00001   1.90047
   A75        2.25863   0.00000   0.00003   0.00003   0.00006   2.25869
   A76        2.12347  -0.00002  -0.00003  -0.00003  -0.00006   2.12340
   A77        1.86641  -0.00001  -0.00003   0.00001  -0.00002   1.86638
   A78        2.08599   0.00003   0.00004   0.00001   0.00005   2.08604
   A79        2.33072  -0.00001  -0.00001  -0.00003  -0.00003   2.33069
   A80        1.86651   0.00002  -0.00000   0.00001   0.00001   1.86652
   A81        2.33003  -0.00003  -0.00002  -0.00001  -0.00003   2.33001
   A82        2.08654   0.00002   0.00002  -0.00001   0.00002   2.08656
   A83        1.90000  -0.00000   0.00003  -0.00001   0.00002   1.90002
   A84        2.26164   0.00004   0.00002  -0.00001   0.00001   2.26165
   A85        2.12073  -0.00004  -0.00005   0.00003  -0.00002   2.12070
   A86        1.90059   0.00003   0.00006  -0.00002   0.00004   1.90063
   A87        2.26096   0.00001  -0.00001  -0.00003  -0.00004   2.26092
   A88        2.12079  -0.00004  -0.00000   0.00004   0.00004   2.12083
   A89        1.86686  -0.00002  -0.00006   0.00001  -0.00006   1.86680
   A90        2.08736   0.00002   0.00001  -0.00004  -0.00003   2.08733
   A91        2.32881  -0.00001   0.00007   0.00003   0.00010   2.32891
   A92        1.86666  -0.00001  -0.00004   0.00000  -0.00004   1.86662
   A93        2.32883  -0.00000   0.00010  -0.00000   0.00010   2.32893
   A94        2.08765   0.00001  -0.00006  -0.00000  -0.00006   2.08759
   A95        1.90054   0.00002   0.00004  -0.00001   0.00003   1.90058
   A96        2.26329  -0.00001  -0.00012   0.00001  -0.00011   2.26318
   A97        2.11876  -0.00001   0.00009   0.00000   0.00009   2.11885
   A98        1.90079  -0.00001   0.00003  -0.00001   0.00001   1.90081
   A99        2.25976   0.00001  -0.00011   0.00005  -0.00006   2.25971
   A100       2.12224  -0.00000   0.00009  -0.00004   0.00005   2.12229
   A101       1.86560   0.00002  -0.00001   0.00001   0.00000   1.86561
   A102       2.08601  -0.00000  -0.00006   0.00003  -0.00004   2.08597
   A103       2.33152  -0.00002   0.00008  -0.00004   0.00004   2.33156
   A104       1.86542  -0.00000  -0.00005   0.00001  -0.00004   1.86539
   A105       2.33190  -0.00000   0.00011  -0.00002   0.00009   2.33198
   A106       2.08579   0.00001  -0.00005   0.00001  -0.00004   2.08574
   A107       1.90118   0.00001   0.00002   0.00000   0.00002   1.90119
   A108       2.25955   0.00000  -0.00002  -0.00002  -0.00004   2.25951
   A109       2.12197  -0.00001   0.00004   0.00000   0.00005   2.12201
   A110       2.08024   0.00001   0.00001  -0.00001   0.00000   2.08025
   A111       2.09993  -0.00001  -0.00001   0.00002   0.00000   2.09993
   A112       2.10300  -0.00000  -0.00000  -0.00000  -0.00001   2.10299
   A113       2.10392  -0.00001  -0.00001   0.00000  -0.00001   2.10391
   A114       2.09179   0.00001   0.00002  -0.00002  -0.00000   2.09179
   A115       2.08744   0.00000  -0.00000   0.00001   0.00001   2.08745
   A116       2.11920   0.00002   0.00002   0.00000   0.00002   2.11922
   A117       2.08590  -0.00001  -0.00004   0.00002  -0.00003   2.08588
   A118       2.07805  -0.00000   0.00003  -0.00002   0.00001   2.07806
   A119       2.05542   0.00000   0.00002  -0.00002   0.00000   2.05542
   A120       2.11888   0.00001   0.00000   0.00001   0.00002   2.11889
   A121       2.10880  -0.00001  -0.00002   0.00000  -0.00002   2.10878
   A122       2.05288  -0.00000  -0.00000   0.00002   0.00002   2.05290
   A123       2.11905   0.00001   0.00003  -0.00001   0.00002   2.11907
   A124       2.11120  -0.00001  -0.00003  -0.00002  -0.00005   2.11115
   A125       2.12022   0.00001   0.00002  -0.00000   0.00002   2.12024
   A126       2.07760  -0.00000  -0.00003   0.00001  -0.00003   2.07757
   A127       2.08535  -0.00001   0.00001  -0.00000   0.00001   2.08536
   A128       2.10457  -0.00001  -0.00002  -0.00001  -0.00003   2.10454
   A129       2.08711   0.00000  -0.00001   0.00001   0.00000   2.08711
   A130       2.09149   0.00001   0.00003  -0.00000   0.00003   2.09151
   A131       2.07902  -0.00000  -0.00001   0.00001  -0.00000   2.07902
   A132       2.10066  -0.00001  -0.00001  -0.00000  -0.00001   2.10065
   A133       2.10349   0.00001   0.00002  -0.00001   0.00001   2.10350
   A134       2.08030  -0.00001  -0.00001   0.00000  -0.00001   2.08029
   A135       2.09955   0.00001   0.00005  -0.00002   0.00004   2.09958
   A136       2.10334  -0.00000  -0.00004   0.00002  -0.00002   2.10331
   A137       2.10338   0.00000   0.00003  -0.00000   0.00003   2.10341
   A138       2.09215  -0.00000  -0.00003   0.00001  -0.00002   2.09213
   A139       2.08765  -0.00000  -0.00001  -0.00000  -0.00001   2.08764
   A140       2.11900   0.00001   0.00000   0.00001   0.00001   2.11901
   A141       2.08827  -0.00002  -0.00009  -0.00001  -0.00011   2.08817
   A142       2.07591   0.00001   0.00009   0.00001   0.00010   2.07601
   A143       2.05703   0.00000  -0.00005  -0.00001  -0.00006   2.05698
   A144       2.12058  -0.00002  -0.00013  -0.00000  -0.00013   2.12045
   A145       2.10555   0.00001   0.00017   0.00001   0.00019   2.10574
   A146       2.05467   0.00001  -0.00001  -0.00001  -0.00002   2.05465
   A147       2.11963   0.00000  -0.00001  -0.00002  -0.00003   2.11960
   A148       2.10883  -0.00001   0.00002   0.00003   0.00005   2.10888
   A149       2.12009   0.00001   0.00002  -0.00002   0.00000   2.12009
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   A151       2.08564  -0.00001  -0.00006   0.00001  -0.00005   2.08559
   A152       2.10374  -0.00001  -0.00001   0.00002   0.00001   2.10375
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   A159       2.10014   0.00000   0.00004   0.00000   0.00004   2.10019
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   A161       2.10425   0.00000   0.00002   0.00000   0.00003   2.10428
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   A169       2.11091  -0.00001   0.00005  -0.00001   0.00004   2.11095
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   A171       2.11813  -0.00000  -0.00009   0.00003  -0.00006   2.11807
   A172       2.11090  -0.00000   0.00010  -0.00004   0.00006   2.11096
   A173       2.11994  -0.00000  -0.00004   0.00002  -0.00002   2.11991
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   A176       2.10432  -0.00001   0.00003  -0.00002   0.00001   2.10433
   A177       2.08708   0.00001  -0.00002   0.00001  -0.00001   2.08707
   A178       2.09178   0.00001  -0.00002   0.00001  -0.00001   2.09178
   A179       2.07960   0.00001   0.00000   0.00000   0.00001   2.07960
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   A181       2.10323  -0.00000  -0.00003   0.00001  -0.00002   2.10321
   A182       2.01451  -0.00051   0.00010   0.00063   0.00073   2.01524
   A183       1.84172  -0.00080  -0.00019  -0.00000  -0.00019   1.84153
   A184       1.71800   0.00084  -0.00069   0.00029  -0.00040   1.71760
   A185       2.02601  -0.00005   0.00015   0.00004   0.00019   2.02620
   A186       2.04104   0.00002  -0.00030  -0.00058  -0.00088   2.04017
   A187       1.78184   0.00066   0.00088  -0.00042   0.00046   1.78230
   A188       2.12832  -0.00504  -0.00223   0.00163  -0.00060   2.12772
   A189       2.08724  -0.00123  -0.00301   0.00004  -0.00298   2.08427
   A190       1.90724   0.00025  -0.00314   0.00231  -0.00082   1.90642
   A191       1.90446  -0.00189   0.00070   0.00052   0.00123   1.90569
   A192       1.84131   0.00079   0.00175  -0.00156   0.00019   1.84151
   A193       1.95226   0.00082  -0.00026   0.00016  -0.00010   1.95216
   A194       1.95159  -0.00042   0.00058  -0.00078  -0.00020   1.95139
   A195       1.90327   0.00040   0.00047  -0.00071  -0.00024   1.90303
   A196       1.90726  -0.00001   0.00021  -0.00001   0.00019   1.90746
   A197       1.93881  -0.00001   0.00061  -0.00072  -0.00010   1.93871
   A198       1.93134  -0.00002  -0.00024   0.00010  -0.00013   1.93121
   A199       1.89147   0.00001   0.00006  -0.00004   0.00003   1.89150
   A200       1.88948  -0.00000   0.00010   0.00007   0.00017   1.88965
   A201       1.90438   0.00003  -0.00075   0.00061  -0.00014   1.90423
   A202       1.94434  -0.00012   0.00029  -0.00064  -0.00036   1.94398
   A203       1.82300   0.00004  -0.00030   0.00060   0.00030   1.82330
   A204       1.90633  -0.00004  -0.00047   0.00038  -0.00009   1.90624
   A205       1.94851   0.00007   0.00004   0.00009   0.00013   1.94863
   A206       1.94965   0.00013   0.00074  -0.00024   0.00050   1.95015
   A207       1.88691  -0.00009  -0.00039  -0.00011  -0.00051   1.88640
   A208       1.91185  -0.00005  -0.00008   0.00026   0.00018   1.91203
   A209       1.93081   0.00008   0.00066  -0.00047   0.00019   1.93100
   A210       1.93212  -0.00004  -0.00057   0.00025  -0.00032   1.93181
   A211       1.89772   0.00003   0.00044  -0.00015   0.00029   1.89801
   A212       1.88815   0.00003   0.00003  -0.00004  -0.00001   1.88814
   A213       1.90234  -0.00004  -0.00048   0.00015  -0.00033   1.90201
   A214       2.11956  -0.00274   0.03092  -0.02963   0.00128   2.12084
    D1       -0.00241   0.00001   0.00033   0.00004   0.00036  -0.00204
    D2        3.11573  -0.00003  -0.00010   0.00040   0.00031   3.11604
    D3        3.13148   0.00003   0.00052   0.00005   0.00057   3.13205
    D4       -0.03356  -0.00001   0.00010   0.00042   0.00052  -0.03305
    D5       -0.03644  -0.00001  -0.00032   0.00006  -0.00026  -0.03669
    D6        3.10819   0.00000  -0.00003   0.00009   0.00006   3.10825
    D7        3.11288  -0.00003  -0.00051   0.00005  -0.00046   3.11242
    D8       -0.02567  -0.00002  -0.00022   0.00008  -0.00015  -0.02582
    D9        2.26958  -0.00008  -0.00366   0.00027  -0.00338   2.26619
   D10       -0.87070  -0.00007  -0.00262  -0.00031  -0.00293  -0.87363
   D11       -0.87977  -0.00006  -0.00346   0.00029  -0.00317  -0.88294
   D12        2.26314  -0.00005  -0.00243  -0.00029  -0.00272   2.26042
   D13        0.05495   0.00001   0.00005  -0.00012  -0.00006   0.05488
   D14       -2.99241  -0.00004   0.00004  -0.00042  -0.00038  -2.99279
   D15       -3.06276   0.00005   0.00049  -0.00049  -0.00000  -3.06277
   D16        0.17306  -0.00000   0.00047  -0.00079  -0.00032   0.17274
   D17       -0.06908  -0.00001  -0.00044   0.00010  -0.00034  -0.06942
   D18        3.04164  -0.00004  -0.00051   0.00024  -0.00027   3.04136
   D19        2.98263   0.00003  -0.00043   0.00038  -0.00004   2.98259
   D20       -0.18984   0.00001  -0.00050   0.00052   0.00002  -0.18982
   D21       -2.91819  -0.00000  -0.00016   0.00050   0.00033  -2.91786
   D22        0.34140  -0.00001  -0.00001   0.00012   0.00011   0.34151
   D23        0.31690  -0.00005  -0.00017   0.00020   0.00003   0.31693
   D24       -2.70669  -0.00006  -0.00002  -0.00018  -0.00019  -2.70688
   D25        0.03130   0.00001   0.00045  -0.00001   0.00045   0.03174
   D26       -3.11294   0.00000   0.00020   0.00004   0.00025  -3.11269
   D27       -3.07938   0.00003   0.00052  -0.00014   0.00038  -3.07900
   D28        0.05957   0.00002   0.00027  -0.00009   0.00018   0.05975
   D29       -0.35770   0.00010   0.00148  -0.00066   0.00082  -0.35688
   D30        2.85304   0.00015   0.00276  -0.00025   0.00252   2.85555
   D31        2.75291   0.00007   0.00141  -0.00052   0.00089   2.75379
   D32       -0.31954   0.00012   0.00269  -0.00011   0.00258  -0.31696
   D33        0.02190   0.00000  -0.00007  -0.00008  -0.00015   0.02175
   D34       -3.12275  -0.00001  -0.00036  -0.00011  -0.00047  -3.12322
   D35       -3.11699   0.00001   0.00019  -0.00013   0.00006  -3.11693
   D36        0.02154  -0.00000  -0.00010  -0.00016  -0.00026   0.02128
   D37        0.12192  -0.00008  -0.00024  -0.00064  -0.00088   0.12104
   D38       -2.91857  -0.00009  -0.00067  -0.00036  -0.00103  -2.91959
   D39       -3.13616  -0.00006  -0.00037  -0.00029  -0.00067  -3.13682
   D40        0.10655  -0.00007  -0.00081  -0.00001  -0.00082   0.10573
   D41        2.97537   0.00005   0.00044   0.00034   0.00078   2.97615
   D42       -0.12920   0.00002   0.00019   0.00024   0.00043  -0.12877
   D43       -0.04934   0.00004   0.00059  -0.00003   0.00056  -0.04878
   D44        3.12928   0.00001   0.00034  -0.00013   0.00021   3.12949
   D45       -0.63964   0.00011   0.00101   0.00051   0.00151  -0.63813
   D46       -3.03237  -0.00015   0.00021   0.00066   0.00087  -3.03150
   D47        2.39660   0.00013   0.00148   0.00019   0.00167   2.39827
   D48        0.00387  -0.00013   0.00069   0.00034   0.00103   0.00490
   D49       -0.08502   0.00005   0.00046  -0.00004   0.00042  -0.08460
   D50        2.99580   0.00004   0.00090  -0.00033   0.00057   2.99637
   D51       -3.12135   0.00004   0.00001   0.00025   0.00026  -3.12109
   D52       -0.04053   0.00003   0.00044  -0.00004   0.00041  -0.04013
   D53        0.75229  -0.00011  -0.00162   0.00013  -0.00149   0.75079
   D54       -2.46232  -0.00015  -0.00294  -0.00032  -0.00327  -2.46559
   D55       -3.12019   0.00017  -0.00104   0.00020  -0.00084  -3.12103
   D56       -0.05161   0.00014  -0.00236  -0.00025  -0.00261  -0.05422
   D57        2.42339   0.00032   0.00159  -0.00182  -0.00022   2.42317
   D58       -1.09191   0.00016  -0.00049  -0.00071  -0.00120  -1.09311
   D59        0.06180  -0.00004   0.00056  -0.00172  -0.00116   0.06064
   D60        2.82969  -0.00020  -0.00152  -0.00061  -0.00214   2.82755
   D61        3.09262  -0.00015   0.00027   0.00111   0.00138   3.09400
   D62        0.02620  -0.00011   0.00163   0.00157   0.00321   0.02940
   D63       -0.03274   0.00002   0.00003   0.00008   0.00011  -0.03263
   D64       -3.13165   0.00000  -0.00025   0.00014  -0.00012  -3.13176
   D65        3.07239   0.00005   0.00028   0.00018   0.00046   3.07285
   D66       -0.02652   0.00003  -0.00001   0.00024   0.00023  -0.02629
   D67        0.05612  -0.00004  -0.00039  -0.00013  -0.00051   0.05560
   D68       -3.05528  -0.00001  -0.00035   0.00011  -0.00025  -3.05552
   D69       -3.12827  -0.00002  -0.00009  -0.00019  -0.00028  -3.12855
   D70        0.04352   0.00000  -0.00006   0.00004  -0.00001   0.04351
   D71       -2.24342   0.00005   0.00301  -0.00106   0.00195  -2.24147
   D72        0.88811   0.00003   0.00050  -0.00031   0.00019   0.88831
   D73        0.94144   0.00003   0.00271  -0.00099   0.00172   0.94316
   D74       -2.21022   0.00002   0.00021  -0.00024  -0.00004  -2.21026
   D75        0.00331   0.00000   0.00013   0.00012   0.00025   0.00356
   D76       -3.07881   0.00001  -0.00031   0.00039   0.00009  -3.07872
   D77        3.11455  -0.00002   0.00010  -0.00012  -0.00002   3.11453
   D78        0.03243  -0.00001  -0.00033   0.00016  -0.00018   0.03225
   D79       -0.05191  -0.00004   0.00170   0.00232   0.00402  -0.04789
   D80        3.13477  -0.00002   0.00154   0.00185   0.00339   3.13816
   D81       -2.81426   0.00054   0.00393   0.00101   0.00494  -2.80932
   D82        0.37242   0.00056   0.00376   0.00054   0.00431   0.37672
   D83        0.15532   0.00009   0.00284  -0.00095   0.00189   0.15721
   D84       -2.10639   0.00123   0.00272  -0.00148   0.00124  -2.10515
   D85        2.34197   0.00043   0.00205  -0.00113   0.00092   2.34289
   D86        2.92289  -0.00016   0.00076   0.00027   0.00103   2.92393
   D87        0.66118   0.00097   0.00065  -0.00026   0.00039   0.66156
   D88       -1.17365   0.00018  -0.00002   0.00009   0.00007  -1.17358
   D89        0.02546   0.00006  -0.00260  -0.00103  -0.00363   0.02183
   D90       -3.09752   0.00001  -0.00134  -0.00063  -0.00197  -3.09949
   D91        3.12443   0.00004  -0.00246  -0.00058  -0.00304   3.12138
   D92        0.00144  -0.00001  -0.00120  -0.00018  -0.00138   0.00006
   D93        3.11728  -0.00002   0.00148   0.00037   0.00185   3.11913
   D94       -0.03187   0.00005   0.00221   0.00035   0.00256  -0.02931
   D95        0.02027   0.00001   0.00133  -0.00010   0.00123   0.02150
   D96       -3.12888   0.00008   0.00206  -0.00012   0.00194  -3.12694
   D97       -0.01242   0.00001   0.00091  -0.00093  -0.00002  -0.01244
   D98        3.11124   0.00005  -0.00031  -0.00131  -0.00162   3.10962
   D99       -0.01971  -0.00000   0.00010   0.00031   0.00041  -0.01930
   D100       3.11450   0.00001   0.00014   0.00006   0.00020   3.11470
   D101       3.13941  -0.00005   0.00129   0.00069   0.00198   3.14139
   D102      -0.00956  -0.00004   0.00133   0.00044   0.00177  -0.00779
   D103      -0.02440   0.00001  -0.00037   0.00025  -0.00011  -0.02451
   D104       3.11394   0.00001  -0.00038   0.00047   0.00008   3.11402
   D105       3.12456  -0.00006  -0.00107   0.00027  -0.00080   3.12377
   D106      -0.02029  -0.00006  -0.00109   0.00048  -0.00060  -0.02089
   D107       0.00590  -0.00002  -0.00076  -0.00013  -0.00089   0.00501
   D108      -3.13786  -0.00000  -0.00004  -0.00024  -0.00028  -3.13814
   D109      -3.13243  -0.00002  -0.00074  -0.00034  -0.00108  -3.13351
   D110       0.00699   0.00000  -0.00002  -0.00045  -0.00047   0.00652
   D111       0.01594   0.00002   0.00089  -0.00016   0.00073   0.01667
   D112      -3.11799   0.00001   0.00085   0.00011   0.00095  -3.11703
   D113      -3.12347  -0.00000   0.00017  -0.00004   0.00012  -3.12335
   D114       0.02578  -0.00001   0.00012   0.00022   0.00034   0.02613
   D115      -2.18058   0.00004   0.00161   0.00010   0.00171  -2.17888
   D116       0.94155   0.00006   0.00640  -0.00279   0.00362   0.94516
   D117       0.95879   0.00005   0.00235  -0.00002   0.00233   0.96112
   D118      -2.20227   0.00008   0.00714  -0.00290   0.00424  -2.19803
   D119       3.14072   0.00000   0.00081  -0.00044   0.00037   3.14109
   D120      -0.04533   0.00002   0.00202  -0.00059   0.00143  -0.04389
   D121      -0.00199  -0.00000  -0.00007   0.00006  -0.00002  -0.00201
   D122       3.09514   0.00002   0.00114  -0.00010   0.00105   3.09619
   D123      -3.13980   0.00000  -0.00075   0.00042  -0.00032  -3.14012
   D124      -0.03549   0.00000  -0.00030   0.00031   0.00001  -0.03548
   D125       0.00291   0.00000   0.00014  -0.00007   0.00007   0.00298
   D126       3.10723   0.00001   0.00059  -0.00019   0.00040   3.10763
   D127       3.13028  -0.00001  -0.00190   0.00065  -0.00125   3.12903
   D128       0.02714  -0.00001  -0.00215   0.00072  -0.00143   0.02571
   D129      -0.00274  -0.00000   0.00023   0.00002   0.00024  -0.00250
   D130      -3.10589   0.00000  -0.00001   0.00008   0.00007  -3.10582
   D131      -3.13150   0.00001   0.00188  -0.00065   0.00123  -3.13027
   D132       0.05383   0.00002   0.00193  -0.00070   0.00123   0.05506
   D133       0.00147   0.00000  -0.00027  -0.00000  -0.00027   0.00119
   D134      -3.09639   0.00001  -0.00022  -0.00006  -0.00028  -3.09667
   D135       3.12393   0.00002   0.00349  -0.00212   0.00137   3.12530
   D136       0.01249   0.00002   0.00320  -0.00205   0.00115   0.01363
   D137      -0.00102  -0.00000  -0.00061   0.00034  -0.00026  -0.00129
   D138      -3.11246  -0.00001  -0.00090   0.00041  -0.00049  -3.11295
   D139      -3.12491  -0.00002  -0.00355   0.00215  -0.00140  -3.12631
   D140       0.05048  -0.00004  -0.00477   0.00261  -0.00216   0.04832
   D141       0.00006   0.00000   0.00054  -0.00031   0.00023   0.00029
   D142      -3.10774  -0.00001  -0.00068   0.00015  -0.00053  -3.10827
   D143       0.00291   0.00000  -0.00010  -0.00002  -0.00012   0.00279
   D144      -3.12787   0.00000  -0.00014   0.00002  -0.00012  -3.12799
   D145       3.10960  -0.00000   0.00012  -0.00008   0.00004   3.10965
   D146      -0.02118  -0.00000   0.00008  -0.00004   0.00004  -0.02114
   D147       3.11958  -0.00001   0.00013  -0.00002   0.00011   3.11969
   D148      -0.01104  -0.00001   0.00008   0.00002   0.00010  -0.01094
   D149       0.02073  -0.00000  -0.00014   0.00005  -0.00009   0.02064
   D150      -3.10989  -0.00000  -0.00019   0.00009  -0.00010  -3.10998
   D151      -0.00198  -0.00000  -0.00007   0.00002  -0.00005  -0.00203
   D152       3.12376  -0.00000  -0.00013   0.00001  -0.00011   3.12365
   D153       3.12663  -0.00000  -0.00002  -0.00003  -0.00005   3.12659
   D154      -0.03081  -0.00000  -0.00008  -0.00003  -0.00011  -0.03092
   D155       0.00615   0.00000   0.00011  -0.00004   0.00007   0.00623
   D156       3.14139   0.00001   0.00023  -0.00018   0.00005   3.14144
   D157      -3.12117   0.00000   0.00006   0.00001   0.00007  -3.12110
   D158       0.01406   0.00001   0.00018  -0.00013   0.00005   0.01412
   D159       0.00034  -0.00000   0.00021  -0.00001   0.00020   0.00053
   D160       3.10240  -0.00000   0.00017   0.00004   0.00020   3.10260
   D161      -3.12804   0.00000   0.00026  -0.00001   0.00025  -3.12779
   D162      -0.02598  -0.00000   0.00022   0.00004   0.00026  -0.02573
   D163      -3.11606   0.00001  -0.00000  -0.00004  -0.00004  -3.11610
   D164       0.01947  -0.00000  -0.00009   0.00003  -0.00006   0.01942
   D165       0.00811   0.00001  -0.00007  -0.00005  -0.00011   0.00799
   D166      -3.13954  -0.00000  -0.00016   0.00003  -0.00013  -3.13967
   D167       3.11769  -0.00001  -0.00025   0.00002  -0.00024   3.11745
   D168      -0.00954   0.00000  -0.00036   0.00024  -0.00012  -0.00966
   D169       0.02464  -0.00000  -0.00020  -0.00004  -0.00024   0.02440
   D170      -3.10258   0.00001  -0.00031   0.00018  -0.00013  -3.10271
   D171       0.00033   0.00000  -0.00002  -0.00002  -0.00004   0.00029
   D172       3.12557   0.00002   0.00095  -0.00022   0.00072   3.12630
   D173      -3.10105  -0.00002  -0.00111   0.00012  -0.00100  -3.10205
   D174       0.02419  -0.00000  -0.00015  -0.00008  -0.00023   0.02396
   D175      -3.11604  -0.00002  -0.00108   0.00024  -0.00084  -3.11688
   D176       0.01419  -0.00003  -0.00102   0.00033  -0.00069   0.01350
   D177      -0.02378   0.00000   0.00027   0.00006   0.00034  -0.02345
   D178       3.10644   0.00000   0.00033   0.00015   0.00049   3.10693
   D179       0.00143   0.00000   0.00010  -0.00002   0.00008   0.00151
   D180      -3.12903  -0.00001  -0.00035   0.00005  -0.00029  -3.12933
   D181      -3.12059  -0.00002  -0.00105   0.00022  -0.00083  -3.12142
   D182       0.03214  -0.00003  -0.00150   0.00029  -0.00121   0.03093
   D183      -0.00692  -0.00000  -0.00008   0.00003  -0.00004  -0.00696
   D184       3.14121  -0.00000  -0.00007   0.00001  -0.00007   3.14115
   D185       3.11314   0.00002   0.00119  -0.00023   0.00096   3.11410
   D186      -0.02191   0.00003   0.00119  -0.00026   0.00094  -0.02098
   D187      -0.00268  -0.00000  -0.00014   0.00006  -0.00009  -0.00276
   D188      -3.11066  -0.00001  -0.00055   0.00016  -0.00038  -3.11104
   D189       3.12962   0.00000   0.00023  -0.00000   0.00022   3.12984
   D190       0.02164   0.00000  -0.00017   0.00010  -0.00007   0.02157
   D191       3.12519   0.00000   0.00032  -0.00010   0.00022   3.12541
   D192      -0.01338   0.00001   0.00040  -0.00012   0.00028  -0.01309
   D193      -0.00416  -0.00000  -0.00017  -0.00002  -0.00019  -0.00435
   D194       3.14046  -0.00000  -0.00009  -0.00004  -0.00013   3.14034
   D195      -3.12407  -0.00000  -0.00014   0.00002  -0.00012  -3.12419
   D196       0.01014   0.00001   0.00002   0.00007   0.00010   0.01024
   D197      -0.02379   0.00000   0.00036  -0.00012   0.00025  -0.02355
   D198       3.11041   0.00001   0.00052  -0.00006   0.00046   3.11088
   D199       0.00156   0.00000   0.00044  -0.00024   0.00020   0.00175
   D200      -3.12994  -0.00001  -0.00017  -0.00000  -0.00017  -3.13011
   D201       3.11583   0.00001   0.00070  -0.00030   0.00039   3.11622
   D202      -0.01567  -0.00000   0.00009  -0.00006   0.00003  -0.01564
   D203       3.12302   0.00000  -0.00000   0.00008   0.00007   3.12309
   D204      -0.01429   0.00000  -0.00016   0.00011  -0.00005  -0.01434
   D205       0.01492  -0.00000  -0.00032   0.00015  -0.00017   0.01474
   D206      -3.12239  -0.00000  -0.00048   0.00019  -0.00029  -3.12268
   D207      -0.00150  -0.00000  -0.00010   0.00005  -0.00005  -0.00155
   D208       3.12600   0.00001   0.00077  -0.00019   0.00057   3.12658
   D209       3.12797   0.00001   0.00062  -0.00024   0.00038   3.12835
   D210      -0.02772   0.00003   0.00149  -0.00048   0.00101  -0.02671
   D211       0.00486   0.00001   0.00032  -0.00011   0.00020   0.00506
   D212      -3.14068   0.00000   0.00009  -0.00001   0.00008  -3.14060
   D213      -3.12340  -0.00001  -0.00048   0.00020  -0.00028  -3.12368
   D214       0.01425  -0.00001  -0.00071   0.00031  -0.00040   0.01385
   D215       0.00090   0.00000  -0.00027   0.00016  -0.00011   0.00079
   D216       3.11187   0.00001   0.00084  -0.00026   0.00058   3.11245
   D217      -3.12897  -0.00001  -0.00099   0.00036  -0.00063  -3.12960
   D218      -0.01800  -0.00000   0.00011  -0.00006   0.00006  -0.01794
   D219      -3.12089  -0.00002  -0.00089   0.00025  -0.00063  -3.12152
   D220       0.01583  -0.00002  -0.00108   0.00037  -0.00072   0.01511
   D221       0.00521   0.00000   0.00007  -0.00002   0.00006   0.00527
   D222      -3.14126  -0.00000  -0.00012   0.00010  -0.00002  -3.14128
   D223       3.12178   0.00002   0.00111  -0.00041   0.00070   3.12248
   D224      -0.01118   0.00002   0.00110  -0.00041   0.00070  -0.01048
   D225       0.01771   0.00000  -0.00025   0.00010  -0.00015   0.01757
   D226      -3.11525   0.00000  -0.00025   0.00011  -0.00015  -3.11539
   D227       0.00994  -0.00000  -0.00008   0.00005  -0.00003   0.00990
   D228      -3.14045  -0.00001  -0.00004  -0.00005  -0.00010  -3.14055
   D229      -3.12559   0.00001   0.00001  -0.00002  -0.00002  -3.12560
   D230       0.00721   0.00000   0.00005  -0.00013  -0.00008   0.00713
   D231      -0.01110  -0.00001   0.00010  -0.00005   0.00004  -0.01106
   D232       3.12183  -0.00001   0.00010   0.00004   0.00014   3.12198
   D233       3.13927   0.00000   0.00005   0.00005   0.00010   3.13937
   D234      -0.01099  -0.00000   0.00006   0.00015   0.00020  -0.01078
   D235      -0.00619   0.00001   0.00005   0.00005   0.00010  -0.00610
   D236       3.12112  -0.00001   0.00015  -0.00017  -0.00002   3.12110
   D237      -3.13916   0.00001   0.00004  -0.00005  -0.00000  -3.13917
   D238      -0.01185  -0.00000   0.00015  -0.00027  -0.00012  -0.01197
   D239      -0.00593   0.00000   0.00000   0.00001   0.00002  -0.00591
   D240       3.14143  -0.00000  -0.00012   0.00006  -0.00006   3.14136
   D241       3.12474   0.00000   0.00005  -0.00003   0.00003   3.12476
   D242      -0.01109  -0.00000  -0.00007   0.00002  -0.00006  -0.01115
   D243      -0.00855   0.00000   0.00019  -0.00009   0.00010  -0.00845
   D244       3.14053  -0.00000  -0.00002  -0.00004  -0.00006   3.14047
   D245       3.12726   0.00001   0.00032  -0.00014   0.00018   3.12744
   D246      -0.00685   0.00000   0.00011  -0.00008   0.00003  -0.00683
   D247       0.00829  -0.00001  -0.00025   0.00011  -0.00014   0.00814
   D248      -3.12694  -0.00001  -0.00037   0.00025  -0.00012  -3.12706
   D249      -3.14081  -0.00000  -0.00004   0.00005   0.00001  -3.14079
   D250       0.00715  -0.00000  -0.00016   0.00019   0.00003   0.00719
   D251      -0.01019   0.00000   0.00031  -0.00004   0.00027  -0.00991
   D252       3.13572  -0.00000   0.00007  -0.00003   0.00003   3.13575
   D253       3.12837   0.00000   0.00023  -0.00002   0.00021   3.12858
   D254      -0.00891  -0.00000  -0.00002  -0.00001  -0.00003  -0.00894
   D255       0.00777  -0.00000  -0.00012   0.00002  -0.00010   0.00768
   D256      -3.13615  -0.00001  -0.00043   0.00027  -0.00017  -3.13631
   D257      -3.13812   0.00000   0.00013   0.00002   0.00014  -3.13798
   D258       0.00114  -0.00001  -0.00019   0.00026   0.00007   0.00122
   D259       0.00918  -0.00000  -0.00022   0.00005  -0.00016   0.00901
   D260      -3.12510  -0.00001  -0.00038  -0.00000  -0.00038  -3.12548
   D261      -3.13011   0.00001   0.00010  -0.00019  -0.00009  -3.13020
   D262       0.01881   0.00000  -0.00006  -0.00024  -0.00031   0.01850
   D263       0.00687  -0.00000  -0.00017  -0.00001  -0.00018   0.00670
   D264      -3.14001  -0.00000  -0.00007  -0.00000  -0.00007  -3.14009
   D265      -3.12343  -0.00000  -0.00023  -0.00009  -0.00032  -3.12375
   D266       0.01287  -0.00000  -0.00013  -0.00009  -0.00022   0.01265
   D267       0.00982   0.00000  -0.00005  -0.00004  -0.00009   0.00972
   D268      -3.13979  -0.00000   0.00008  -0.00007   0.00000  -3.13978
   D269      -3.12646  -0.00000  -0.00015  -0.00004  -0.00020  -3.12665
   D270       0.00712  -0.00000  -0.00002  -0.00008  -0.00010   0.00702
   D271      -0.00963   0.00000   0.00018   0.00002   0.00020  -0.00942
   D272       3.12541   0.00000   0.00017   0.00005   0.00023   3.12564
   D273       3.14000   0.00000   0.00005   0.00006   0.00011   3.14011
   D274      -0.00814   0.00000   0.00004   0.00008   0.00013  -0.00802
   D275       0.00702   0.00000  -0.00011   0.00004  -0.00008   0.00694
   D276      -3.14031  -0.00001  -0.00023   0.00012  -0.00011  -3.14043
   D277      -3.12969   0.00001   0.00008  -0.00008   0.00000  -3.12968
   D278       0.00616  -0.00000  -0.00004   0.00001  -0.00003   0.00613
   D279      -0.00715  -0.00000  -0.00003   0.00002  -0.00002  -0.00717
   D280       3.13010  -0.00001  -0.00009   0.00001  -0.00008   3.13002
   D281       3.14017   0.00000   0.00009  -0.00007   0.00002   3.14019
   D282      -0.00577   0.00000   0.00003  -0.00008  -0.00004  -0.00581
   D283      -0.00519   0.00000   0.00021  -0.00009   0.00013  -0.00507
   D284       3.12780   0.00000   0.00021  -0.00009   0.00013   3.12793
   D285       3.14072   0.00001   0.00026  -0.00008   0.00019   3.14091
   D286      -0.00947   0.00001   0.00027  -0.00008   0.00019  -0.00928
   D287      -0.00383   0.00000   0.00015  -0.00007   0.00009  -0.00374
   D288       3.13967  -0.00000  -0.00008   0.00006  -0.00002   3.13965
   D289       3.13350   0.00000   0.00031  -0.00010   0.00021   3.13371
   D290      -0.00619  -0.00000   0.00008   0.00002   0.00010  -0.00609
   D291      -0.00661   0.00000   0.00025  -0.00011   0.00014  -0.00647
   D292       3.13857   0.00000   0.00007  -0.00011  -0.00004   3.13853
   D293       3.13307   0.00001   0.00049  -0.00024   0.00025   3.13332
   D294      -0.00494   0.00001   0.00030  -0.00024   0.00007  -0.00487
   D295       0.00597  -0.00001  -0.00049   0.00020  -0.00029   0.00568
   D296      -3.13167  -0.00000  -0.00026   0.00009  -0.00017  -3.13184
   D297      -3.13922  -0.00001  -0.00031   0.00020  -0.00011  -3.13933
   D298       0.00632  -0.00000  -0.00008   0.00009   0.00001   0.00634
   D299       1.77715  -0.00193   0.00898  -0.00087   0.00811   1.78526
   D300      -0.47781  -0.00051   0.00890  -0.00176   0.00714  -0.47067
   D301      -2.71836  -0.00103   0.00848  -0.00070   0.00778  -2.71058
   D302       3.11865  -0.00026  -0.00534   0.00397  -0.00137   3.11728
   D303      -0.99670  -0.00028  -0.00587   0.00466  -0.00121  -0.99790
   D304       1.23429   0.00020  -0.00515   0.00399  -0.00117   1.23313
   D305      -2.18271  -0.00005  -0.04273   0.03115  -0.01158  -2.19429
   D306      -0.04309  -0.00009  -0.04458   0.03314  -0.01144  -0.05453
   D307       1.99963  -0.00013  -0.04275   0.03173  -0.01102   1.98861
   D308       1.53627  -0.00001  -0.00469   0.00852   0.00384   1.54011
   D309      -2.64088   0.00004  -0.00467   0.00866   0.00398  -2.63689
   D310      -0.62576  -0.00006  -0.00550   0.00901   0.00351  -0.62224
   D311      -3.05029  -0.00088  -0.00674   0.00559  -0.00115  -3.05144
   D312      -0.96424  -0.00088  -0.00614   0.00509  -0.00106  -0.96529
   D313       1.15390  -0.00086  -0.00684   0.00544  -0.00140   1.15250
   D314       1.12212   0.00080  -0.00534   0.00327  -0.00207   1.12005
   D315      -3.07501   0.00080  -0.00475   0.00277  -0.00198  -3.07699
   D316      -0.95688   0.00082  -0.00545   0.00312  -0.00232  -0.95920
   D317      -1.01837  -0.00001  -0.00620   0.00465  -0.00155  -1.01991
   D318       1.06769  -0.00001  -0.00560   0.00415  -0.00145   1.06624
   D319      -3.09737   0.00001  -0.00630   0.00451  -0.00179  -3.09916
   D320      -1.04118   0.00120   0.03751  -0.02219   0.01532  -1.02586
   D321       1.07120   0.00076   0.03388  -0.01883   0.01505   1.08625
   D322      -3.04422   0.00107   0.03478  -0.02023   0.01455  -3.02966
   D323       3.10648  -0.00003  -0.00488   0.00094  -0.00394   3.10253
   D324      -1.08497   0.00002  -0.00397   0.00062  -0.00335  -1.08831
   D325       1.02575  -0.00001  -0.00451   0.00066  -0.00385   1.02190
   D326       1.07579  -0.00005  -0.00470   0.00053  -0.00417   1.07162
   D327      -3.11565  -0.00000  -0.00379   0.00022  -0.00358  -3.11923
   D328      -1.00494  -0.00003  -0.00434   0.00026  -0.00408  -1.00902
   D329      -1.03942  -0.00008  -0.00475   0.00079  -0.00396  -1.04338
   D330       1.05233  -0.00003  -0.00384   0.00047  -0.00337   1.04896
   D331      -3.12014  -0.00006  -0.00438   0.00051  -0.00387  -3.12401
         Item               Value     Threshold  Converged?
 Maximum Force            0.005040     0.000450     NO 
 RMS     Force            0.000305     0.000300     NO 
 Maximum Displacement     0.036208     0.001800     NO 
 RMS     Displacement     0.007597     0.001200     NO 
 Predicted change in Energy=-5.395754D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.592790    3.246656    0.119301
      2          6           0       -2.752663    1.866258    0.260118
      3          6           0       -1.649381    1.005335    0.210182
      4          6           0       -0.358210    1.557620    0.081716
      5          6           0       -0.205493    2.941472   -0.077377
      6          6           0       -1.308427    3.782268   -0.072790
      7          6           0       -1.784922   -0.462749    0.170116
      8          6           0       -0.653993   -1.287122    0.392850
      9          6           0        0.629817   -0.644886    0.821135
     10          6           0        0.825743    0.686982    0.153733
     11          6           0       -2.991455   -1.052811   -0.224800
     12          6           0       -3.087579   -2.425353   -0.458700
     13          6           0       -1.942886   -3.220870   -0.332583
     14          6           0       -0.748332   -2.650864    0.085528
     15          7           0        1.787866   -1.466151    0.907557
     16          6           0        3.038421   -0.960240    0.440435
     17          6           0        3.079896    0.323940   -0.150105
     18          7           0        1.959387    1.126355   -0.272972
     19          6           0        4.232768   -1.697040    0.489649
     20          6           0        5.420153   -1.169627   -0.002389
     21          6           0        5.459779    0.103481   -0.590575
     22          6           0        4.281018    0.834360   -0.666548
     23          7           0       -3.722970    4.097950    0.161353
     24          7           0       -4.316554   -2.994866   -0.868677
     25          7           0        6.676999    0.629405   -1.092974
     26          6           0       -4.946897   -4.094027   -0.267322
     27          6           0       -6.161924   -4.355417   -0.948580
     28          6           0       -6.270037   -3.375318   -2.009639
     29          6           0       -5.117617   -2.553120   -1.931662
     30          6           0       -3.855766    5.248504    0.953726
     31          6           0       -5.127853    5.826086    0.714869
     32          6           0       -5.794220    4.990836   -0.262664
     33          6           0       -4.903127    3.935179   -0.580325
     34          6           0        7.252545    1.854369   -0.731175
     35          6           0        8.474651    2.012944   -1.432777
     36          6           0        8.643407    0.833453   -2.255879
     37          6           0        7.518201    0.002925   -2.020875
     38          6           0       -7.219672   -3.139583   -3.010183
     39          6           0       -7.007720   -2.105371   -3.917033
     40          6           0       -5.849861   -1.313553   -3.839122
     41          6           0       -4.889215   -1.526298   -2.852134
     42          6           0       -4.553951   -4.842820    0.845105
     43          6           0       -5.389225   -5.880642    1.253006
     44          6           0       -6.588833   -6.165103    0.579003
     45          6           0       -6.982358   -5.404193   -0.517644
     46          6           0       -7.042938    5.054378   -0.891194
     47          6           0       -7.384150    4.078836   -1.823142
     48          6           0       -6.483248    3.048701   -2.139737
     49          6           0       -5.233170    2.964611   -1.530398
     50          6           0       -2.971579    5.790602    1.890519
     51          6           0       -3.369841    6.941414    2.567417
     52          6           0       -4.619092    7.537780    2.328151
     53          6           0       -5.503257    6.982115    1.408469
     54          6           0        9.625207    0.423023   -3.164993
     55          6           0        9.472542   -0.792279   -3.825672
     56          6           0        8.343927   -1.595940   -3.591736
     57          6           0        7.351913   -1.211532   -2.692184
     58          6           0        6.802742    2.812052    0.181648
     59          6           0        7.589288    3.946332    0.370390
     60          6           0        8.796501    4.125885   -0.325989
     61          6           0        9.245139    3.162790   -1.224618
     62          8           0        0.472255   -3.059739    2.712675
     63         15           0        1.773122   -2.792993    2.071987
     64          8           0        3.000044   -2.508612    3.060816
     65          8           0        2.366228   -3.947171    1.121114
     66          6           0        2.801720   -1.946545    4.399629
     67          6           0        3.660800   -0.707535    4.553086
     68          6           0        2.579212   -5.285015    1.664758
     69          6           0        1.332718   -6.141806    1.531091
     70          1           0       -3.747591    1.474317    0.431416
     71          1           0        0.794833    3.339692   -0.201404
     72          1           0       -1.188007    4.850538   -0.213120
     73          1           0       -3.867817   -0.438437   -0.388189
     74          1           0       -1.986852   -4.273192   -0.589125
     75          1           0        0.130389   -3.278254    0.115941
     76          1           0        4.252253   -2.686419    0.917144
     77          1           0        6.331989   -1.751919    0.072627
     78          1           0        4.251660    1.812971   -1.131075
     79          1           0       -8.107971   -3.760697   -3.080301
     80          1           0       -7.737835   -1.912415   -4.696847
     81          1           0       -5.692621   -0.522699   -4.566654
     82          1           0       -3.990099   -0.921649   -2.812445
     83          1           0       -3.637808   -4.620814    1.380797
     84          1           0       -5.105904   -6.477528    2.114811
     85          1           0       -7.215979   -6.981832    0.922685
     86          1           0       -7.916498   -5.616415   -1.029681
     87          1           0       -7.734864    5.857723   -0.655331
     88          1           0       -8.352071    4.114395   -2.313283
     89          1           0       -6.762247    2.297621   -2.872697
     90          1           0       -4.541673    2.172948   -1.794870
     91          1           0       -2.012035    5.329714    2.095186
     92          1           0       -2.698662    7.381413    3.298978
     93          1           0       -4.897806    8.435210    2.871663
     94          1           0       -6.475099    7.434955    1.234390
     95          1           0       10.492735    1.048500   -3.355003
     96          1           0       10.227940   -1.121792   -4.532266
     97          1           0        8.237475   -2.535959   -4.125106
     98          1           0        6.477993   -1.831958   -2.527090
     99          1           0        5.876220    2.678602    0.728832
    100          1           0        7.259834    4.705758    1.073310
    101          1           0        9.384062    5.023040   -0.157455
    102          1           0       10.182980    3.298448   -1.755625
    103          1           0        1.742549   -1.726680    4.543008
    104          1           0        3.099500   -2.736096    5.095347
    105          1           0        3.584556   -0.339607    5.581657
    106          1           0        4.710949   -0.928571    4.342998
    107          1           0        3.320320    0.083093    3.880435
    108          1           0        3.409796   -5.687969    1.080565
    109          1           0        2.904892   -5.202969    2.706579
    110          1           0        1.537476   -7.148430    1.910692
    111          1           0        0.507126   -5.712194    2.102844
    112          1           0        1.032965   -6.226834    0.482659
    113         17           0        0.307190    0.111260    2.771638
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351689           0.0181726           0.0142685
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.4796260235 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000347   -0.000060    0.000152 Ang=  -0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48654189     A.U. after   11 cycles
            NFock= 11  Conv=0.45D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000024379    0.000046994   -0.000000133
      2        6           0.000095699   -0.000093090   -0.000027133
      3        6          -0.000045921    0.000285272    0.000037775
      4        6           0.000085652   -0.000145511    0.000087568
      5        6          -0.000026314   -0.000005076   -0.000028191
      6        6          -0.000048005   -0.000026181   -0.000018691
      7        6           0.000016375   -0.000239911    0.000006697
      8        6          -0.000460807   -0.000516083   -0.000508514
      9        6           0.000086441    0.000275840    0.000588395
     10        6          -0.000015784    0.000426632   -0.000279160
     11        6           0.000028811    0.000102866    0.000047640
     12        6           0.000127748   -0.000085315    0.000026998
     13        6          -0.000211624    0.000028705   -0.000013451
     14        6           0.000079904    0.000191614    0.000065205
     15        7           0.000466626   -0.000428484   -0.000118175
     16        6          -0.000030535   -0.000019173   -0.000065074
     17        6          -0.000295388    0.000215338    0.000068683
     18        7           0.000105896   -0.000290129    0.000076492
     19        6           0.000087879    0.000030302   -0.000041048
     20        6          -0.000061473    0.000034154   -0.000011441
     21        6           0.000031538    0.000069868   -0.000003976
     22        6           0.000136344   -0.000047987   -0.000044552
     23        7          -0.000004700    0.000050948   -0.000012584
     24        7          -0.000064619    0.000029050   -0.000140804
     25        7           0.000043104   -0.000142462    0.000018170
     26        6          -0.000027529    0.000008517   -0.000001289
     27        6           0.000006720    0.000010265   -0.000009357
     28        6          -0.000009652   -0.000024521    0.000015713
     29        6           0.000075443   -0.000053835    0.000078349
     30        6          -0.000009663   -0.000131862    0.000036580
     31        6          -0.000037512   -0.000051902    0.000063424
     32        6           0.000035422    0.000038804   -0.000030145
     33        6          -0.000004896    0.000058636   -0.000026527
     34        6           0.000077212    0.000044175    0.000023752
     35        6           0.000011570   -0.000067606    0.000055182
     36        6          -0.000036237    0.000042790   -0.000062068
     37        6          -0.000101891    0.000095099   -0.000022391
     38        6           0.000010499    0.000040030    0.000000606
     39        6          -0.000005180   -0.000016998    0.000007064
     40        6           0.000003363   -0.000050814    0.000047832
     41        6          -0.000003052    0.000031444   -0.000020799
     42        6          -0.000029903    0.000002628   -0.000016994
     43        6          -0.000011370    0.000016744   -0.000008261
     44        6          -0.000006229    0.000009003   -0.000008244
     45        6           0.000005606   -0.000004561    0.000028217
     46        6           0.000007100   -0.000041329   -0.000002805
     47        6           0.000018105    0.000005374    0.000015704
     48        6           0.000017190    0.000028237   -0.000001929
     49        6          -0.000007510   -0.000001246   -0.000000995
     50        6          -0.000004164    0.000036544   -0.000028573
     51        6          -0.000014261    0.000002176   -0.000006418
     52        6          -0.000011960   -0.000002152   -0.000017257
     53        6           0.000033630    0.000032601   -0.000021367
     54        6           0.000015786   -0.000021528    0.000028881
     55        6          -0.000002700   -0.000013789    0.000018274
     56        6           0.000000896    0.000010822    0.000013573
     57        6           0.000017086   -0.000018835    0.000010680
     58        6           0.000007007    0.000007436    0.000006771
     59        6           0.000003132   -0.000024096   -0.000007350
     60        6           0.000005555    0.000012251   -0.000008105
     61        6          -0.000048134    0.000015263   -0.000003294
     62        8          -0.000028823    0.000013423   -0.000054430
     63       15           0.000017042    0.000126314    0.000092057
     64        8           0.000037578   -0.000363163   -0.000429128
     65        8          -0.000115126    0.000386257   -0.000521554
     66        6          -0.000028574    0.000605895    0.000679691
     67        6          -0.000042270   -0.000107674   -0.000060758
     68        6          -0.000031942   -0.000281992    0.000290236
     69        6           0.000017374    0.000087791    0.000120837
     70        1          -0.000010570    0.000032342    0.000042435
     71        1          -0.000004226   -0.000010603   -0.000003851
     72        1           0.000013953    0.000008947   -0.000006694
     73        1           0.000004516   -0.000036893    0.000001106
     74        1           0.000027050   -0.000012439    0.000003357
     75        1           0.000033332   -0.000023436    0.000032201
     76        1          -0.000086791   -0.000154340   -0.000037887
     77        1           0.000002853    0.000002514    0.000027762
     78        1          -0.000052717   -0.000010084   -0.000004038
     79        1           0.000003500   -0.000009081   -0.000003662
     80        1          -0.000000034    0.000003362    0.000002208
     81        1           0.000004874    0.000020769   -0.000032721
     82        1          -0.000016213   -0.000015451   -0.000006154
     83        1           0.000028888   -0.000001259    0.000011967
     84        1           0.000002385   -0.000009135   -0.000001527
     85        1          -0.000002118    0.000002293    0.000003470
     86        1           0.000007478   -0.000003097   -0.000013691
     87        1          -0.000025765    0.000021301    0.000008488
     88        1          -0.000005804    0.000000784   -0.000007347
     89        1          -0.000012735   -0.000016357    0.000008255
     90        1           0.000001263    0.000001960    0.000012391
     91        1           0.000001391   -0.000006882    0.000007181
     92        1           0.000001719   -0.000001645   -0.000001331
     93        1           0.000002291   -0.000000498    0.000003462
     94        1          -0.000003195   -0.000004426    0.000005883
     95        1          -0.000004258    0.000009083   -0.000009231
     96        1           0.000002117    0.000004013   -0.000006947
     97        1           0.000003106   -0.000003917   -0.000011393
     98        1           0.000002978    0.000006538   -0.000001231
     99        1           0.000006326   -0.000000196   -0.000012723
    100        1          -0.000006234    0.000007750   -0.000003167
    101        1           0.000002833   -0.000010263    0.000005299
    102        1           0.000010240   -0.000000128   -0.000006176
    103        1          -0.000047137   -0.000356636   -0.000040909
    104        1           0.000025920   -0.000019773   -0.000043377
    105        1          -0.000046736    0.000012672   -0.000022395
    106        1           0.000053219   -0.000007589    0.000023366
    107        1           0.000017571    0.000012003   -0.000025813
    108        1           0.000088949   -0.000021680    0.000033184
    109        1           0.000020036    0.000073599   -0.000013466
    110        1           0.000043549    0.000013105   -0.000052797
    111        1          -0.000017119   -0.000020243   -0.000022241
    112        1          -0.000022733    0.000052454   -0.000006894
    113       17          -0.000003918    0.000231764    0.000191570
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000679691 RMS     0.000118534

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001039668 RMS     0.000091283
 Search for a local minimum.
 Step number  41 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41
 DE= -1.66D-05 DEPred=-5.40D-06 R= 3.08D+00
 TightC=F SS=  1.41D+00  RLast= 4.30D-02 DXNew= 1.0744D+00 1.2907D-01
 Trust test= 3.08D+00 RLast= 4.30D-02 DXMaxT set to 6.39D-01
 ITU=  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0  1
 ITU=  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1
 ITU=  0
     Eigenvalues ---    0.00032   0.00322   0.00466   0.00603   0.00809
     Eigenvalues ---    0.00984   0.01483   0.01725   0.02186   0.02310
     Eigenvalues ---    0.02466   0.02486   0.02542   0.02555   0.02586
     Eigenvalues ---    0.02602   0.02636   0.02665   0.02681   0.02686
     Eigenvalues ---    0.02699   0.02703   0.02713   0.02717   0.02742
     Eigenvalues ---    0.02754   0.02771   0.02780   0.02794   0.02796
     Eigenvalues ---    0.02803   0.02811   0.02812   0.02819   0.02828
     Eigenvalues ---    0.02832   0.02847   0.02861   0.02866   0.02870
     Eigenvalues ---    0.02876   0.02884   0.02890   0.02897   0.02900
     Eigenvalues ---    0.02905   0.02907   0.02910   0.02916   0.02918
     Eigenvalues ---    0.02920   0.02928   0.02937   0.02943   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02954   0.02955   0.02961
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02973   0.02975
     Eigenvalues ---    0.02988   0.02991   0.02992   0.02999   0.03002
     Eigenvalues ---    0.03013   0.03023   0.03031   0.03045   0.03049
     Eigenvalues ---    0.03059   0.03063   0.03065   0.03079   0.03093
     Eigenvalues ---    0.03104   0.03109   0.03120   0.03132   0.03142
     Eigenvalues ---    0.03164   0.03175   0.03176   0.03188   0.03203
     Eigenvalues ---    0.03226   0.03241   0.03247   0.03276   0.03330
     Eigenvalues ---    0.03522   0.03553   0.03682   0.04996   0.05165
     Eigenvalues ---    0.05536   0.05597   0.05745   0.05853   0.05925
     Eigenvalues ---    0.05969   0.06162   0.06474   0.08954   0.09943
     Eigenvalues ---    0.11798   0.12144   0.13483   0.13869   0.14188
     Eigenvalues ---    0.15234   0.15918   0.15923   0.15972   0.15985
     Eigenvalues ---    0.15992   0.15994   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16005
     Eigenvalues ---    0.16007   0.16010   0.16016   0.16035   0.16045
     Eigenvalues ---    0.16081   0.16114   0.16166   0.16180   0.18158
     Eigenvalues ---    0.19850   0.20631   0.21288   0.21994   0.21999
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22099   0.22281
     Eigenvalues ---    0.22364   0.22442   0.22544   0.22586   0.22601
     Eigenvalues ---    0.22607   0.22614   0.22658   0.22689   0.22976
     Eigenvalues ---    0.23312   0.23471   0.23496   0.23899   0.24027
     Eigenvalues ---    0.24399   0.24440   0.24479   0.24492   0.24525
     Eigenvalues ---    0.24549   0.24627   0.24727   0.24763   0.24818
     Eigenvalues ---    0.24915   0.24971   0.24975   0.24978   0.24984
     Eigenvalues ---    0.24991   0.24991   0.24999   0.25053   0.25097
     Eigenvalues ---    0.25175   0.25837   0.25921   0.26594   0.27155
     Eigenvalues ---    0.27259   0.28126   0.28743   0.28844   0.29021
     Eigenvalues ---    0.29309   0.29360   0.29636   0.29960   0.30294
     Eigenvalues ---    0.30538   0.30662   0.30711   0.30851   0.30953
     Eigenvalues ---    0.31129   0.31186   0.31270   0.31401   0.31529
     Eigenvalues ---    0.31612   0.31730   0.32136   0.32233   0.32536
     Eigenvalues ---    0.33135   0.33439   0.33525   0.33964   0.34047
     Eigenvalues ---    0.34252   0.34496   0.34669   0.34937   0.35154
     Eigenvalues ---    0.35263   0.35472   0.35567   0.35825   0.36388
     Eigenvalues ---    0.36777   0.37143   0.37309   0.37730   0.39033
     Eigenvalues ---    0.39921   0.41533   0.41994   0.42288   0.42741
     Eigenvalues ---    0.43340   0.43512   0.44343   0.45276   0.45947
     Eigenvalues ---    0.47084   0.47108   0.47135   0.47238   0.47692
     Eigenvalues ---    0.47866   0.49620   0.50007   0.50150   0.50482
     Eigenvalues ---    0.50603   0.51236   0.51689   0.52057   0.52070
     Eigenvalues ---    0.52266   0.52653   0.52859   0.53115   0.53342
     Eigenvalues ---    0.53447   0.53798   0.54301   0.54349   0.55038
     Eigenvalues ---    0.55313   0.55609   0.55700   0.55924   0.56119
     Eigenvalues ---    0.56184   0.56280   0.56462   0.56632   0.56742
     Eigenvalues ---    0.56932   0.57172   0.57305   0.57884   0.58233
     Eigenvalues ---    0.58287   0.58294   0.58334   0.58516   0.58661
     Eigenvalues ---    0.58918   0.58991   0.59420   0.59709   0.59806
     Eigenvalues ---    0.60045   0.60562   0.60883   0.61420   0.62017
     Eigenvalues ---    0.63250   0.63529   0.64330   0.65143   0.65603
     Eigenvalues ---    0.65894   0.66769   0.67805   0.68878   0.72072
     Eigenvalues ---    0.73116   0.74583   0.77911   0.80510   0.81604
     Eigenvalues ---    0.85378   1.19363   5.66053
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    41   40   39   38   37   36   35   34   33   32
 RFO step:  Lambda=-1.04186770D-04.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 RFO-DIIS uses    5 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    0.98802    0.58790   -2.00000    1.75996   -0.33587
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.03377974 RMS(Int)=  0.00130319
 Iteration  2 RMS(Cart)=  0.00247845 RMS(Int)=  0.00000714
 Iteration  3 RMS(Cart)=  0.00000659 RMS(Int)=  0.00000246
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000246
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63946   0.00004   0.00001   0.00012   0.00013   2.63959
    R2        2.65462  -0.00005  -0.00002  -0.00030  -0.00032   2.65430
    R3        2.67500   0.00003   0.00003   0.00013   0.00016   2.67516
    R4        2.64623  -0.00004  -0.00009  -0.00006  -0.00015   2.64608
    R5        2.04653   0.00000   0.00006   0.00003   0.00009   2.04663
    R6        2.66488   0.00004  -0.00009   0.00013   0.00004   2.66492
    R7        2.78710   0.00028   0.00012   0.00081   0.00093   2.78804
    R8        2.64810  -0.00001  -0.00000  -0.00024  -0.00024   2.64786
    R9        2.78049  -0.00010  -0.00009   0.00041   0.00032   2.78081
   R10        2.62082  -0.00001  -0.00000  -0.00001  -0.00002   2.62080
   R11        2.04808  -0.00001  -0.00003   0.00001  -0.00002   2.04805
   R12        2.04876   0.00001  -0.00000   0.00013   0.00012   2.04888
   R13        2.67795  -0.00007  -0.00003   0.00002  -0.00001   2.67794
   R14        2.64552  -0.00002  -0.00010  -0.00004  -0.00014   2.64538
   R15        2.83085   0.00053   0.00058   0.00026   0.00084   2.83169
   R16        2.64773  -0.00017  -0.00010  -0.00037  -0.00048   2.64726
   R17        2.83943   0.00016   0.00012   0.00153   0.00165   2.84108
   R18        2.68781   0.00023   0.00026   0.00006   0.00031   2.68813
   R19        2.43494  -0.00009  -0.00007  -0.00054  -0.00061   2.43433
   R20        2.63738   0.00008   0.00002   0.00019   0.00022   2.63760
   R21        2.04594  -0.00002   0.00004  -0.00010  -0.00006   2.04588
   R22        2.64499  -0.00011  -0.00012  -0.00029  -0.00041   2.64458
   R23        2.67435   0.00005   0.00004  -0.00027  -0.00023   2.67412
   R24        2.62303   0.00007   0.00009   0.00021   0.00030   2.62333
   R25        2.04853   0.00001  -0.00002   0.00007   0.00005   2.04858
   R26        2.04116   0.00004  -0.00004   0.00010   0.00006   2.04122
   R27        2.69777  -0.00013  -0.00004  -0.00007  -0.00011   2.69766
   R28        3.33612  -0.00028   0.00013  -0.00205  -0.00192   3.33419
   R29        2.67219   0.00003   0.00008  -0.00039  -0.00031   2.67188
   R30        2.65354  -0.00001   0.00003   0.00018   0.00021   2.65375
   R31        2.61473  -0.00014  -0.00025   0.00054   0.00029   2.61503
   R32        2.65231   0.00008   0.00012   0.00025   0.00036   2.65268
   R33        2.62539  -0.00002  -0.00010  -0.00033  -0.00043   2.62496
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   R35        2.65124   0.00001   0.00000   0.00045   0.00046   2.65170
   R36        2.04940   0.00000   0.00003  -0.00001   0.00002   2.04942
   R37        2.62491   0.00003  -0.00006   0.00000  -0.00006   2.62485
   R38        2.67957  -0.00003  -0.00006  -0.00065  -0.00071   2.67886
   R39        2.04783   0.00000   0.00003  -0.00007  -0.00004   2.04779
   R40        2.65186  -0.00004  -0.00004  -0.00034  -0.00038   2.65148
   R41        2.65192   0.00000  -0.00002  -0.00029  -0.00031   2.65161
   R42        2.65041   0.00001   0.00003   0.00006   0.00009   2.65050
   R43        2.65019  -0.00008  -0.00011   0.00009  -0.00001   2.65017
   R44        2.64743   0.00005   0.00002   0.00028   0.00030   2.64773
   R45        2.64636  -0.00005  -0.00006   0.00010   0.00003   2.64639
   R46        2.67830  -0.00003  -0.00003  -0.00008  -0.00010   2.67820
   R47        2.64061  -0.00001   0.00000   0.00001   0.00001   2.64063
   R48        2.73725  -0.00005  -0.00004  -0.00020  -0.00025   2.73701
   R49        2.64477  -0.00001   0.00000  -0.00006  -0.00006   2.64471
   R50        2.67926   0.00001   0.00001  -0.00004  -0.00003   2.67923
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   R53        2.67839   0.00001   0.00002  -0.00001   0.00001   2.67840
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   R59        2.64127  -0.00002  -0.00002  -0.00001  -0.00003   2.64124
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   R82        2.05256   0.00003  -0.00002   0.00022   0.00020   2.05276
   R83        2.65440  -0.00001   0.00001   0.00007   0.00007   2.65447
   R84        2.05135   0.00001   0.00001   0.00003   0.00004   2.05139
   R85        2.63280  -0.00001  -0.00001  -0.00018  -0.00019   2.63262
   R86        2.05206   0.00001   0.00000   0.00004   0.00004   2.05210
   R87        2.04828  -0.00000   0.00001   0.00007   0.00008   2.04836
   R88        2.63288  -0.00000   0.00000  -0.00003  -0.00003   2.63285
   R89        2.04844   0.00000  -0.00002   0.00010   0.00008   2.04852
   R90        2.65473  -0.00001  -0.00002  -0.00004  -0.00006   2.65467
   R91        2.05213  -0.00000  -0.00000  -0.00001  -0.00001   2.05212
   R92        2.62959  -0.00003  -0.00003  -0.00004  -0.00007   2.62952
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   R96        2.05271   0.00000  -0.00002   0.00005   0.00003   2.05274
   R97        2.65530  -0.00001  -0.00001  -0.00009  -0.00011   2.65519
   R98        2.05144   0.00001  -0.00000   0.00003   0.00003   2.05148
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   R120       2.86946  -0.00011  -0.00001  -0.00034  -0.00035   2.86911
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    A2        2.09436   0.00002  -0.00002   0.00020   0.00018   2.09454
    A3        2.09987  -0.00001   0.00002  -0.00013  -0.00011   2.09976
    A4        2.11044   0.00003  -0.00008   0.00026   0.00018   2.11062
    A5        2.07006  -0.00005  -0.00002  -0.00075  -0.00076   2.06929
    A6        2.10244   0.00002   0.00010   0.00049   0.00059   2.10304
    A7        2.07584  -0.00002   0.00016  -0.00041  -0.00025   2.07559
    A8        2.14187  -0.00002  -0.00014   0.00032   0.00018   2.14205
    A9        2.06179   0.00003  -0.00004   0.00017   0.00012   2.06191
   A10        2.09080  -0.00003  -0.00013   0.00014   0.00001   2.09081
   A11        2.09503   0.00008   0.00013   0.00017   0.00031   2.09533
   A12        2.09695  -0.00005  -0.00000  -0.00028  -0.00028   2.09666
   A13        2.10790   0.00003   0.00004   0.00008   0.00012   2.10803
   A14        2.06739  -0.00002  -0.00009  -0.00008  -0.00017   2.06722
   A15        2.10789  -0.00001   0.00006  -0.00001   0.00005   2.10793
   A16        2.09025  -0.00000  -0.00001  -0.00008  -0.00009   2.09015
   A17        2.08857   0.00002   0.00002   0.00011   0.00013   2.08871
   A18        2.10436  -0.00001  -0.00001  -0.00003  -0.00005   2.10432
   A19        2.09606  -0.00001   0.00005   0.00003   0.00008   2.09614
   A20        2.10182   0.00005  -0.00021   0.00017  -0.00004   2.10177
   A21        2.07938  -0.00005   0.00014  -0.00020  -0.00006   2.07932
   A22        2.07085  -0.00012  -0.00013   0.00017   0.00004   2.07089
   A23        2.06917   0.00010  -0.00008   0.00019   0.00011   2.06929
   A24        2.13850   0.00002   0.00020  -0.00031  -0.00011   2.13839
   A25        1.94419   0.00003  -0.00013   0.00060   0.00047   1.94466
   A26        2.05736  -0.00009  -0.00009  -0.00029  -0.00037   2.05698
   A27        2.01821  -0.00003   0.00026  -0.00135  -0.00110   2.01712
   A28        2.02786  -0.00007   0.00004  -0.00044  -0.00039   2.02747
   A29        2.08284   0.00017   0.00026   0.00005   0.00031   2.08316
   A30        2.17010  -0.00010  -0.00031   0.00012  -0.00020   2.16990
   A31        2.11899  -0.00002  -0.00012   0.00033   0.00021   2.11920
   A32        2.09556   0.00004   0.00013  -0.00009   0.00004   2.09560
   A33        2.06807  -0.00002  -0.00001  -0.00020  -0.00022   2.06785
   A34        2.08005   0.00000   0.00005  -0.00021  -0.00017   2.07988
   A35        2.09916   0.00002  -0.00013   0.00042   0.00030   2.09946
   A36        2.10318  -0.00002   0.00007  -0.00017  -0.00010   2.10308
   A37        2.09159  -0.00000  -0.00000   0.00009   0.00009   2.09168
   A38        2.09121   0.00003   0.00008   0.00040   0.00048   2.09169
   A39        2.09998  -0.00003  -0.00008  -0.00053  -0.00061   2.09937
   A40        2.12200  -0.00004  -0.00000   0.00009   0.00009   2.12209
   A41        2.09948   0.00001   0.00009   0.00049   0.00059   2.10007
   A42        2.06017   0.00003  -0.00008  -0.00056  -0.00064   2.05954
   A43        2.08141   0.00000  -0.00024   0.00142   0.00116   2.08257
   A44        2.05697  -0.00009  -0.00034   0.00101   0.00068   2.05766
   A45        2.08229   0.00010   0.00022  -0.00098  -0.00074   2.08155
   A46        2.07621  -0.00001  -0.00001  -0.00012  -0.00015   2.07606
   A47        2.15036  -0.00008  -0.00009   0.00052   0.00044   2.15080
   A48        2.05580   0.00009   0.00010  -0.00025  -0.00015   2.05565
   A49        2.14122   0.00003   0.00012  -0.00029  -0.00018   2.14104
   A50        2.10485  -0.00010  -0.00017   0.00029   0.00012   2.10497
   A51        2.03695   0.00007   0.00004  -0.00007  -0.00002   2.03693
   A52        2.07753   0.00011   0.00017   0.00042   0.00057   2.07810
   A53        2.11219  -0.00004  -0.00003  -0.00012  -0.00015   2.11204
   A54        2.10699  -0.00007  -0.00022  -0.00081  -0.00103   2.10596
   A55        2.06398   0.00011   0.00026   0.00093   0.00119   2.06517
   A56        2.11426   0.00002   0.00001   0.00066   0.00067   2.11493
   A57        2.08319  -0.00002   0.00004  -0.00087  -0.00083   2.08237
   A58        2.08573  -0.00000  -0.00005   0.00021   0.00016   2.08589
   A59        2.06739  -0.00001   0.00003  -0.00082  -0.00079   2.06660
   A60        2.10523  -0.00001  -0.00008   0.00021   0.00013   2.10536
   A61        2.11056   0.00002   0.00005   0.00061   0.00066   2.11123
   A62        2.11151   0.00003   0.00005   0.00023   0.00028   2.11179
   A63        2.05212  -0.00007  -0.00026  -0.00105  -0.00130   2.05082
   A64        2.11953   0.00003   0.00020   0.00081   0.00101   2.12054
   A65        2.19617  -0.00002  -0.00001  -0.00012  -0.00013   2.19604
   A66        2.19688   0.00004   0.00001   0.00016   0.00016   2.19704
   A67        1.89014  -0.00002  -0.00000  -0.00003  -0.00004   1.89010
   A68        2.19131  -0.00005   0.00001  -0.00021  -0.00020   2.19111
   A69        2.20044   0.00006  -0.00001   0.00034   0.00033   2.20077
   A70        1.89139  -0.00001  -0.00001  -0.00012  -0.00013   1.89126
   A71        2.19625   0.00001   0.00000  -0.00009  -0.00008   2.19617
   A72        2.19505   0.00001  -0.00001   0.00021   0.00020   2.19525
   A73        1.89178  -0.00002   0.00001  -0.00020  -0.00019   1.89159
   A74        1.90047   0.00001   0.00000   0.00007   0.00007   1.90053
   A75        2.25869  -0.00000   0.00000   0.00017   0.00017   2.25885
   A76        2.12340  -0.00001  -0.00000  -0.00025  -0.00025   2.12316
   A77        1.86638  -0.00001  -0.00001  -0.00001  -0.00002   1.86637
   A78        2.08604   0.00002   0.00000   0.00020   0.00020   2.08625
   A79        2.33069  -0.00000   0.00001  -0.00019  -0.00019   2.33050
   A80        1.86652   0.00000   0.00000   0.00007   0.00007   1.86659
   A81        2.33001  -0.00001   0.00002  -0.00017  -0.00015   2.32985
   A82        2.08656   0.00001  -0.00002   0.00010   0.00008   2.08664
   A83        1.90002   0.00001   0.00002  -0.00001   0.00001   1.90002
   A84        2.26165   0.00002  -0.00004   0.00017   0.00012   2.26177
   A85        2.12070  -0.00003   0.00003  -0.00015  -0.00012   2.12058
   A86        1.90063   0.00002  -0.00000   0.00011   0.00011   1.90074
   A87        2.26092   0.00001   0.00004  -0.00014  -0.00010   2.26082
   A88        2.12083  -0.00002  -0.00002   0.00009   0.00007   2.12089
   A89        1.86680  -0.00001  -0.00000  -0.00010  -0.00010   1.86670
   A90        2.08733   0.00001  -0.00000  -0.00009  -0.00009   2.08724
   A91        2.32891  -0.00000   0.00001   0.00021   0.00021   2.32913
   A92        1.86662  -0.00000  -0.00001  -0.00004  -0.00005   1.86658
   A93        2.32893  -0.00000   0.00003   0.00010   0.00013   2.32905
   A94        2.08759   0.00000  -0.00002  -0.00005  -0.00007   2.08752
   A95        1.90058   0.00001   0.00001   0.00006   0.00008   1.90065
   A96        2.26318  -0.00001  -0.00006  -0.00013  -0.00019   2.26298
   A97        2.11885  -0.00000   0.00005   0.00008   0.00013   2.11898
   A98        1.90081  -0.00000  -0.00003   0.00002  -0.00000   1.90081
   A99        2.25971  -0.00000  -0.00006   0.00007   0.00002   2.25972
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   A101       1.86561   0.00001   0.00003   0.00009   0.00012   1.86572
   A102       2.08597  -0.00000  -0.00007   0.00010   0.00003   2.08599
   A103       2.33156  -0.00000   0.00004  -0.00018  -0.00014   2.33142
   A104       1.86539  -0.00001  -0.00003  -0.00002  -0.00005   1.86534
   A105       2.33198  -0.00000   0.00004   0.00005   0.00009   2.33207
   A106       2.08574   0.00001  -0.00001  -0.00003  -0.00004   2.08570
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   A108       2.25951  -0.00000  -0.00005  -0.00010  -0.00015   2.25936
   A109       2.12201  -0.00001   0.00005  -0.00001   0.00004   2.12205
   A110       2.08025   0.00001   0.00001   0.00001   0.00002   2.08027
   A111       2.09993  -0.00001  -0.00004   0.00006   0.00002   2.09995
   A112       2.10299  -0.00000   0.00003  -0.00007  -0.00004   2.10295
   A113       2.10391  -0.00001  -0.00002  -0.00004  -0.00007   2.10384
   A114       2.09179   0.00001   0.00002  -0.00004  -0.00002   2.09178
   A115       2.08745   0.00000  -0.00000   0.00008   0.00008   2.08753
   A116       2.11922   0.00002   0.00005   0.00001   0.00006   2.11928
   A117       2.08588  -0.00001  -0.00002  -0.00002  -0.00004   2.08583
   A118       2.07806  -0.00001  -0.00003   0.00001  -0.00002   2.07804
   A119       2.05542  -0.00000  -0.00005   0.00008   0.00003   2.05545
   A120       2.11889   0.00000  -0.00002   0.00008   0.00006   2.11895
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   A122       2.05290  -0.00000  -0.00002   0.00010   0.00009   2.05299
   A123       2.11907   0.00001   0.00004   0.00002   0.00006   2.11914
   A124       2.11115  -0.00001  -0.00002  -0.00013  -0.00015   2.11100
   A125       2.12024   0.00001   0.00002   0.00005   0.00007   2.12031
   A126       2.07757   0.00000   0.00004  -0.00009  -0.00005   2.07752
   A127       2.08536  -0.00001  -0.00006   0.00004  -0.00002   2.08534
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   A129       2.08711   0.00000   0.00001   0.00001   0.00002   2.08713
   A130       2.09151   0.00000   0.00000   0.00009   0.00009   2.09160
   A131       2.07902   0.00000   0.00001  -0.00001  -0.00000   2.07902
   A132       2.10065  -0.00001  -0.00005  -0.00002  -0.00006   2.10058
   A133       2.10350   0.00001   0.00004   0.00003   0.00007   2.10357
   A134       2.08029  -0.00001  -0.00002  -0.00003  -0.00005   2.08024
   A135       2.09958   0.00001  -0.00000   0.00003   0.00003   2.09961
   A136       2.10331   0.00000   0.00002  -0.00000   0.00002   2.10333
   A137       2.10341   0.00000   0.00003   0.00002   0.00004   2.10345
   A138       2.09213   0.00000   0.00002  -0.00001   0.00001   2.09214
   A139       2.08764  -0.00000  -0.00005   0.00000  -0.00004   2.08760
   A140       2.11901   0.00000  -0.00000   0.00005   0.00005   2.11906
   A141       2.08817  -0.00001  -0.00003  -0.00020  -0.00023   2.08794
   A142       2.07601   0.00000   0.00003   0.00015   0.00018   2.07619
   A143       2.05698  -0.00000  -0.00004  -0.00006  -0.00010   2.05688
   A144       2.12045  -0.00001  -0.00004  -0.00021  -0.00025   2.12020
   A145       2.10574   0.00001   0.00008   0.00027   0.00035   2.10609
   A146       2.05465   0.00001   0.00001  -0.00001  -0.00000   2.05465
   A147       2.11960  -0.00000  -0.00004  -0.00004  -0.00008   2.11951
   A148       2.10888  -0.00000   0.00003   0.00006   0.00009   2.10897
   A149       2.12009   0.00001   0.00001  -0.00002  -0.00001   2.12008
   A150       2.07749  -0.00001  -0.00005   0.00013   0.00008   2.07757
   A151       2.08559  -0.00000   0.00004  -0.00011  -0.00007   2.08552
   A152       2.10375  -0.00001  -0.00001   0.00003   0.00002   2.10377
   A153       2.08746   0.00000  -0.00001   0.00006   0.00005   2.08751
   A154       2.09195   0.00001   0.00002  -0.00009  -0.00007   2.09188
   A155       2.07944   0.00000   0.00002   0.00002   0.00004   2.07948
   A156       2.10014  -0.00000  -0.00000   0.00008   0.00008   2.10022
   A157       2.10359  -0.00000  -0.00002  -0.00010  -0.00012   2.10347
   A158       2.08002  -0.00000  -0.00002   0.00004   0.00002   2.08004
   A159       2.10019  -0.00000  -0.00002   0.00014   0.00012   2.10030
   A160       2.10297   0.00000   0.00004  -0.00017  -0.00013   2.10284
   A161       2.10428   0.00000   0.00002   0.00003   0.00005   2.10434
   A162       2.09178  -0.00000  -0.00005  -0.00005  -0.00010   2.09168
   A163       2.08711   0.00000   0.00002   0.00002   0.00005   2.08715
   A164       2.11952   0.00000   0.00000  -0.00008  -0.00007   2.11945
   A165       2.08521  -0.00001  -0.00003   0.00002  -0.00001   2.08519
   A166       2.07845   0.00001   0.00003   0.00006   0.00009   2.07853
   A167       2.05464   0.00000  -0.00004   0.00004   0.00001   2.05464
   A168       2.11757  -0.00000  -0.00002  -0.00002  -0.00004   2.11753
   A169       2.11095   0.00000   0.00006  -0.00003   0.00003   2.11098
   A170       2.05415   0.00000  -0.00004   0.00007   0.00003   2.05418
   A171       2.11807  -0.00001  -0.00005   0.00002  -0.00003   2.11804
   A172       2.11096   0.00000   0.00009  -0.00009  -0.00000   2.11096
   A173       2.11991  -0.00000   0.00001  -0.00002  -0.00002   2.11990
   A174       2.07804   0.00000  -0.00001   0.00005   0.00004   2.07808
   A175       2.08523  -0.00000   0.00000  -0.00003  -0.00002   2.08521
   A176       2.10433  -0.00001  -0.00002  -0.00002  -0.00004   2.10430
   A177       2.08707   0.00001   0.00001   0.00000   0.00001   2.08708
   A178       2.09178   0.00001   0.00001   0.00002   0.00003   2.09180
   A179       2.07960   0.00001   0.00004  -0.00003   0.00000   2.07961
   A180       2.10037  -0.00001  -0.00005   0.00005  -0.00000   2.10036
   A181       2.10321  -0.00000   0.00002  -0.00002  -0.00000   2.10321
   A182       2.01524  -0.00003   0.00025  -0.00009   0.00016   2.01541
   A183       1.84153   0.00051   0.00034   0.00113   0.00147   1.84300
   A184       1.71760  -0.00032  -0.00005  -0.00062  -0.00067   1.71694
   A185       2.02620  -0.00008  -0.00018   0.00048   0.00030   2.02650
   A186       2.04017   0.00011  -0.00047   0.00011  -0.00037   2.03980
   A187       1.78230  -0.00021   0.00017  -0.00117  -0.00101   1.78129
   A188       2.12772   0.00104  -0.00148   0.00336   0.00188   2.12960
   A189       2.08427  -0.00079  -0.00108  -0.00496  -0.00604   2.07822
   A190       1.90642   0.00002  -0.00084   0.00766   0.00681   1.91323
   A191       1.90569   0.00040  -0.00021  -0.00022  -0.00046   1.90523
   A192       1.84151  -0.00027   0.00030  -0.00696  -0.00665   1.83486
   A193       1.95216  -0.00020   0.00010   0.00371   0.00380   1.95596
   A194       1.95139   0.00011   0.00028  -0.00239  -0.00209   1.94929
   A195       1.90303  -0.00004   0.00035  -0.00237  -0.00202   1.90101
   A196       1.90746  -0.00002  -0.00003  -0.00017  -0.00021   1.90725
   A197       1.93871   0.00001   0.00011  -0.00234  -0.00224   1.93647
   A198       1.93121   0.00001   0.00002  -0.00011  -0.00008   1.93113
   A199       1.89150   0.00001   0.00004  -0.00014  -0.00010   1.89140
   A200       1.88965  -0.00001  -0.00006   0.00023   0.00017   1.88982
   A201       1.90423  -0.00001  -0.00008   0.00259   0.00251   1.90674
   A202       1.94398  -0.00009   0.00011   0.00058   0.00069   1.94467
   A203       1.82330   0.00003  -0.00020   0.00114   0.00094   1.82424
   A204       1.90624  -0.00002  -0.00054  -0.00014  -0.00068   1.90556
   A205       1.94863   0.00005   0.00012  -0.00076  -0.00065   1.94799
   A206       1.95015   0.00007   0.00056   0.00122   0.00177   1.95192
   A207       1.88640  -0.00005  -0.00012  -0.00212  -0.00224   1.88415
   A208       1.91203  -0.00005  -0.00015  -0.00009  -0.00024   1.91179
   A209       1.93100   0.00006   0.00034   0.00136   0.00169   1.93269
   A210       1.93181  -0.00004  -0.00016  -0.00097  -0.00113   1.93068
   A211       1.89801   0.00002   0.00029   0.00107   0.00136   1.89938
   A212       1.88814   0.00003  -0.00014  -0.00005  -0.00020   1.88794
   A213       1.90201  -0.00002  -0.00017  -0.00131  -0.00149   1.90052
   A214       2.12084   0.00023   0.00683  -0.12123  -0.11440   2.00644
    D1       -0.00204   0.00001   0.00023   0.00107   0.00130  -0.00074
    D2        3.11604  -0.00001   0.00024   0.00137   0.00160   3.11764
    D3        3.13205   0.00002   0.00020   0.00186   0.00206   3.13411
    D4       -0.03305  -0.00000   0.00020   0.00216   0.00236  -0.03069
    D5       -0.03669  -0.00002  -0.00028  -0.00082  -0.00110  -0.03780
    D6        3.10825  -0.00001  -0.00021   0.00004  -0.00017   3.10808
    D7        3.11242  -0.00002  -0.00025  -0.00161  -0.00186   3.11056
    D8       -0.02582  -0.00001  -0.00018  -0.00076  -0.00093  -0.02676
    D9        2.26619  -0.00004  -0.00113  -0.00450  -0.00563   2.26057
   D10       -0.87363  -0.00003  -0.00080  -0.00601  -0.00681  -0.88044
   D11       -0.88294  -0.00003  -0.00116  -0.00370  -0.00487  -0.88781
   D12        2.26042  -0.00003  -0.00083  -0.00521  -0.00605   2.25437
   D13        0.05488   0.00001   0.00012   0.00002   0.00014   0.05502
   D14       -2.99279   0.00002   0.00041  -0.00097  -0.00056  -2.99335
   D15       -3.06277   0.00003   0.00012  -0.00027  -0.00015  -3.06292
   D16        0.17274   0.00004   0.00040  -0.00125  -0.00084   0.17190
   D17       -0.06942  -0.00003  -0.00042  -0.00136  -0.00178  -0.07119
   D18        3.04136  -0.00001  -0.00018  -0.00029  -0.00046   3.04090
   D19        2.98259  -0.00004  -0.00069  -0.00042  -0.00111   2.98148
   D20       -0.18982  -0.00002  -0.00045   0.00066   0.00021  -0.18961
   D21       -2.91786   0.00000  -0.00030   0.00184   0.00154  -2.91632
   D22        0.34151   0.00001  -0.00005   0.00187   0.00183   0.34334
   D23        0.31693   0.00001  -0.00003   0.00089   0.00086   0.31780
   D24       -2.70688   0.00002   0.00022   0.00093   0.00115  -2.70573
   D25        0.03174   0.00003   0.00036   0.00165   0.00201   0.03375
   D26       -3.11269   0.00002   0.00022   0.00118   0.00140  -3.11129
   D27       -3.07900   0.00001   0.00012   0.00056   0.00068  -3.07832
   D28        0.05975  -0.00000  -0.00002   0.00009   0.00007   0.05982
   D29       -0.35688  -0.00003   0.00045  -0.00049  -0.00005  -0.35692
   D30        2.85555  -0.00002   0.00056   0.00345   0.00401   2.85956
   D31        2.75379  -0.00002   0.00069   0.00059   0.00128   2.75507
   D32       -0.31696  -0.00001   0.00079   0.00453   0.00533  -0.31163
   D33        0.02175  -0.00000  -0.00001  -0.00054  -0.00055   0.02120
   D34       -3.12322  -0.00001  -0.00008  -0.00140  -0.00148  -3.12471
   D35       -3.11693   0.00001   0.00013  -0.00005   0.00008  -3.11685
   D36        0.02128  -0.00000   0.00006  -0.00092  -0.00086   0.02042
   D37        0.12104   0.00002   0.00043  -0.00221  -0.00177   0.11926
   D38       -2.91959  -0.00002   0.00045  -0.00269  -0.00223  -2.92183
   D39       -3.13682   0.00001   0.00016  -0.00222  -0.00206  -3.13888
   D40        0.10573  -0.00002   0.00018  -0.00270  -0.00252   0.10321
   D41        2.97615   0.00001  -0.00041   0.00101   0.00059   2.97674
   D42       -0.12877   0.00000  -0.00041  -0.00017  -0.00058  -0.12935
   D43       -0.04878   0.00001  -0.00016   0.00103   0.00087  -0.04792
   D44        3.12949   0.00001  -0.00016  -0.00015  -0.00031   3.12918
   D45       -0.63813  -0.00007  -0.00034   0.00201   0.00167  -0.63646
   D46       -3.03150   0.00005  -0.00050   0.00379   0.00330  -3.02819
   D47        2.39827  -0.00003  -0.00038   0.00254   0.00216   2.40043
   D48        0.00490   0.00009  -0.00054   0.00433   0.00380   0.00870
   D49       -0.08460   0.00001  -0.00010   0.00191   0.00181  -0.08278
   D50        2.99637   0.00003   0.00006   0.00249   0.00254   2.99891
   D51       -3.12109  -0.00001  -0.00005   0.00138   0.00132  -3.11977
   D52       -0.04013   0.00000   0.00010   0.00196   0.00205  -0.03807
   D53        0.75079   0.00008  -0.00009  -0.00069  -0.00079   0.75000
   D54       -2.46559   0.00008  -0.00018  -0.00486  -0.00504  -2.47063
   D55       -3.12103  -0.00007  -0.00010  -0.00198  -0.00207  -3.12310
   D56       -0.05422  -0.00006  -0.00018  -0.00614  -0.00632  -0.06055
   D57        2.42317  -0.00011   0.00028  -0.00717  -0.00689   2.41628
   D58       -1.09311  -0.00005  -0.00068  -0.00319  -0.00387  -1.09698
   D59        0.06064  -0.00001   0.00029  -0.00614  -0.00585   0.05479
   D60        2.82755   0.00005  -0.00067  -0.00216  -0.00283   2.82472
   D61        3.09400   0.00006  -0.00029   0.00597   0.00569   3.09969
   D62        0.02940   0.00007  -0.00019   0.01028   0.01009   0.03950
   D63       -0.03263   0.00001   0.00005   0.00150   0.00155  -0.03108
   D64       -3.13176   0.00001   0.00019   0.00050   0.00069  -3.13107
   D65        3.07285   0.00002   0.00005   0.00266   0.00271   3.07556
   D66       -0.02629   0.00001   0.00019   0.00166   0.00185  -0.02444
   D67        0.05560  -0.00002   0.00003  -0.00231  -0.00228   0.05333
   D68       -3.05552  -0.00001   0.00007  -0.00098  -0.00090  -3.05643
   D69       -3.12855  -0.00001  -0.00011  -0.00129  -0.00140  -3.12995
   D70        0.04351  -0.00001  -0.00007   0.00004  -0.00003   0.04348
   D71       -2.24147   0.00004   0.00086  -0.00023   0.00063  -2.24083
   D72        0.88831   0.00003   0.00026   0.00002   0.00029   0.88859
   D73        0.94316   0.00003   0.00101  -0.00125  -0.00024   0.94292
   D74       -2.21026   0.00003   0.00041  -0.00100  -0.00059  -2.21084
   D75        0.00356   0.00000  -0.00000   0.00059   0.00059   0.00415
   D76       -3.07872  -0.00001  -0.00016  -0.00001  -0.00017  -3.07889
   D77        3.11453   0.00000  -0.00004  -0.00073  -0.00077   3.11376
   D78        0.03225  -0.00002  -0.00020  -0.00133  -0.00153   0.03072
   D79       -0.04789   0.00007  -0.00004   0.01354   0.01351  -0.03438
   D80        3.13816   0.00007  -0.00012   0.00947   0.00936  -3.13567
   D81       -2.80932   0.00006   0.00107   0.00906   0.01013  -2.79920
   D82        0.37672   0.00006   0.00099   0.00499   0.00598   0.38270
   D83        0.15721   0.00010   0.00228  -0.00265  -0.00037   0.15685
   D84       -2.10515  -0.00021   0.00204  -0.00418  -0.00214  -2.10729
   D85        2.34289   0.00000   0.00180  -0.00299  -0.00119   2.34171
   D86        2.92393   0.00013   0.00122   0.00186   0.00307   2.92700
   D87        0.66156  -0.00017   0.00097   0.00033   0.00130   0.66286
   D88       -1.17358   0.00004   0.00073   0.00152   0.00225  -1.17133
   D89        0.02183  -0.00007  -0.00034  -0.00998  -0.01032   0.01151
   D90       -3.09949  -0.00003  -0.00013  -0.00564  -0.00577  -3.10527
   D91        3.12138  -0.00008  -0.00027  -0.00611  -0.00638   3.11500
   D92        0.00006  -0.00004  -0.00006  -0.00178  -0.00184  -0.00178
   D93        3.11913   0.00003   0.00005   0.00541   0.00546   3.12459
   D94       -0.02931   0.00006   0.00095   0.00629   0.00724  -0.02207
   D95        0.02150   0.00004  -0.00002   0.00138   0.00136   0.02286
   D96       -3.12694   0.00006   0.00087   0.00227   0.00314  -3.12380
   D97       -0.01244  -0.00000   0.00046  -0.00206  -0.00160  -0.01405
   D98        3.10962  -0.00004   0.00025  -0.00623  -0.00598   3.10363
   D99       -0.01930   0.00001  -0.00001   0.00035   0.00035  -0.01896
   D100       3.11470  -0.00001  -0.00013  -0.00005  -0.00018   3.11452
   D101       3.14139   0.00005   0.00019   0.00444   0.00463  -3.13717
   D102      -0.00779   0.00003   0.00007   0.00404   0.00411  -0.00368
   D103      -0.02451  -0.00001   0.00017   0.00043   0.00060  -0.02390
   D104       3.11402  -0.00001   0.00014   0.00096   0.00110   3.11512
   D105       3.12377  -0.00003  -0.00070  -0.00043  -0.00113   3.12264
   D106      -0.02089  -0.00004  -0.00073   0.00010  -0.00063  -0.02152
   D107       0.00501  -0.00002  -0.00024  -0.00187  -0.00210   0.00291
   D108      -3.13814   0.00000   0.00005  -0.00121  -0.00116  -3.13930
   D109      -3.13351  -0.00001  -0.00021  -0.00239  -0.00260  -3.13611
   D110       0.00652   0.00001   0.00008  -0.00174  -0.00166   0.00486
   D111       0.01667   0.00002   0.00016   0.00147   0.00162   0.01829
   D112      -3.11703   0.00004   0.00028   0.00189   0.00217  -3.11486
   D113      -3.12335  -0.00000  -0.00014   0.00081   0.00068  -3.12268
   D114       0.02613   0.00001  -0.00001   0.00124   0.00123   0.02735
   D115      -2.17888   0.00002   0.00071   0.00343   0.00413  -2.17474
   D116       0.94516   0.00004   0.00192  -0.00267  -0.00075   0.94441
   D117       0.96112   0.00005   0.00100   0.00410   0.00510   0.96622
   D118      -2.19803   0.00007   0.00222  -0.00201   0.00021  -2.19782
   D119       3.14109   0.00000   0.00014  -0.00093  -0.00079   3.14031
   D120      -0.04389   0.00002   0.00056   0.00080   0.00137  -0.04253
   D121      -0.00201  -0.00000  -0.00014   0.00036   0.00022  -0.00179
   D122       3.09619   0.00001   0.00028   0.00209   0.00237   3.09856
   D123      -3.14012  -0.00000  -0.00013   0.00100   0.00087  -3.13926
   D124      -0.03548   0.00000   0.00003   0.00126   0.00129  -0.03419
   D125       0.00298   0.00000   0.00015  -0.00029  -0.00014   0.00284
   D126       3.10763   0.00001   0.00032  -0.00003   0.00028   3.10791
   D127       3.12903  -0.00001  -0.00032  -0.00008  -0.00040   3.12863
   D128       0.02571  -0.00001  -0.00039   0.00036  -0.00004   0.02567
   D129      -0.00250  -0.00000   0.00019  -0.00030  -0.00011  -0.00261
   D130      -3.10582  -0.00000   0.00012   0.00014   0.00026  -3.10556
   D131      -3.13027   0.00001   0.00034  -0.00002   0.00032  -3.12994
   D132       0.05506   0.00001   0.00035  -0.00035   0.00000   0.05506
   D133       0.00119   0.00000  -0.00018   0.00020   0.00002   0.00122
   D134      -3.09667   0.00001  -0.00016  -0.00014  -0.00030  -3.09697
   D135       3.12530   0.00002   0.00083  -0.00457  -0.00374   3.12155
   D136       0.01363   0.00001   0.00059  -0.00474  -0.00415   0.00948
   D137      -0.00129  -0.00000  -0.00021   0.00064   0.00043  -0.00086
   D138      -3.11295  -0.00001  -0.00045   0.00048   0.00002  -3.11293
   D139      -3.12631  -0.00002  -0.00084   0.00459   0.00374  -3.12256
   D140       0.04832  -0.00003  -0.00123   0.00470   0.00347   0.05179
   D141       0.00029   0.00000   0.00020  -0.00063  -0.00043  -0.00014
   D142      -3.10827  -0.00001  -0.00019  -0.00051  -0.00070  -3.10898
   D143       0.00279   0.00000  -0.00013   0.00028   0.00015   0.00294
   D144      -3.12799   0.00000  -0.00008   0.00046   0.00038  -3.12761
   D145       3.10965  -0.00000  -0.00007  -0.00011  -0.00017   3.10947
   D146      -0.02114  -0.00000  -0.00001   0.00007   0.00006  -0.02107
   D147       3.11969  -0.00000   0.00003  -0.00051  -0.00049   3.11920
   D148      -0.01094  -0.00001  -0.00006  -0.00056  -0.00062  -0.01156
   D149       0.02064  -0.00000  -0.00006  -0.00003  -0.00009   0.02055
   D150      -3.10998  -0.00000  -0.00014  -0.00008  -0.00023  -3.11021
   D151      -0.00203  -0.00000   0.00003  -0.00015  -0.00013  -0.00216
   D152       3.12365  -0.00000   0.00015  -0.00025  -0.00010   3.12355
   D153       3.12659  -0.00000  -0.00004  -0.00037  -0.00041   3.12618
   D154      -0.03092  -0.00000   0.00008  -0.00046  -0.00038  -0.03130
   D155       0.00623   0.00000   0.00002   0.00008   0.00011   0.00634
   D156       3.14144   0.00001   0.00005  -0.00025  -0.00020   3.14124
   D157      -3.12110   0.00000   0.00010   0.00032   0.00042  -3.12068
   D158       0.01412   0.00001   0.00012  -0.00001   0.00011   0.01423
   D159       0.00053  -0.00000   0.00009  -0.00003   0.00007   0.00060
   D160       3.10260  -0.00000   0.00008   0.00029   0.00036   3.10296
   D161      -3.12779  -0.00000  -0.00001   0.00005   0.00004  -3.12775
   D162      -0.02573  -0.00000  -0.00002   0.00037   0.00034  -0.02538
   D163      -3.11610   0.00001  -0.00010  -0.00005  -0.00015  -3.11625
   D164       0.01942  -0.00000  -0.00021  -0.00018  -0.00039   0.01903
   D165       0.00799   0.00000   0.00004  -0.00016  -0.00012   0.00788
   D166      -3.13967  -0.00000  -0.00007  -0.00029  -0.00036  -3.14003
   D167       3.11745  -0.00001  -0.00006  -0.00016  -0.00022   3.11723
   D168      -0.00966   0.00000   0.00018   0.00140   0.00157  -0.00809
   D169       0.02440  -0.00000  -0.00004  -0.00054  -0.00058   0.02382
   D170      -3.10271   0.00001   0.00019   0.00102   0.00121  -3.10150
   D171       0.00029   0.00000   0.00007  -0.00028  -0.00021   0.00008
   D172       3.12630   0.00002   0.00029   0.00086   0.00115   3.12744
   D173      -3.10205  -0.00001  -0.00031  -0.00184  -0.00215  -3.10420
   D174       0.02396  -0.00000  -0.00009  -0.00070  -0.00080   0.02316
   D175      -3.11688  -0.00002  -0.00026  -0.00117  -0.00142  -3.11830
   D176       0.01350  -0.00002  -0.00031  -0.00038  -0.00070   0.01280
   D177      -0.02345   0.00000   0.00021   0.00076   0.00097  -0.02248
   D178       3.10693   0.00000   0.00015   0.00154   0.00169   3.10862
   D179       0.00151   0.00000   0.00002   0.00010   0.00012   0.00163
   D180      -3.12933  -0.00000  -0.00016  -0.00051  -0.00067  -3.13000
   D181      -3.12142  -0.00002  -0.00024  -0.00126  -0.00150  -3.12292
   D182       0.03093  -0.00002  -0.00041  -0.00188  -0.00229   0.02864
   D183      -0.00696  -0.00000  -0.00008   0.00012   0.00004  -0.00692
   D184       3.14115  -0.00000  -0.00004  -0.00018  -0.00022   3.14092
   D185       3.11410   0.00002   0.00020   0.00163   0.00182   3.11592
   D186      -0.02098   0.00002   0.00024   0.00132   0.00156  -0.01942
   D187      -0.00276  -0.00000  -0.00010   0.00011   0.00001  -0.00275
   D188      -3.11104  -0.00001  -0.00025  -0.00011  -0.00036  -3.11140
   D189       3.12984   0.00000   0.00005   0.00063   0.00067   3.13052
   D190       0.02157  -0.00000  -0.00010   0.00040   0.00030   0.02187
   D191       3.12541   0.00001   0.00023   0.00004   0.00027   3.12568
   D192      -0.01309   0.00001   0.00019   0.00013   0.00032  -0.01277
   D193      -0.00435   0.00000   0.00004  -0.00064  -0.00060  -0.00494
   D194       3.14034  -0.00000  -0.00000  -0.00055  -0.00055   3.13978
   D195      -3.12419  -0.00000  -0.00010  -0.00035  -0.00044  -3.12463
   D196       0.01024   0.00000   0.00007   0.00051   0.00058   0.01082
   D197      -0.02355   0.00000   0.00009  -0.00006   0.00002  -0.02352
   D198       3.11088   0.00001   0.00025   0.00080   0.00105   3.11193
   D199       0.00175   0.00000   0.00015  -0.00041  -0.00026   0.00149
   D200      -3.13011  -0.00001  -0.00003  -0.00057  -0.00059  -3.13070
   D201       3.11622   0.00001   0.00036  -0.00025   0.00010   3.11633
   D202      -0.01564  -0.00000   0.00019  -0.00041  -0.00022  -0.01586
   D203       3.12309   0.00000   0.00020   0.00016   0.00036   3.12345
   D204      -0.01434   0.00000  -0.00004   0.00042   0.00038  -0.01395
   D205       0.01474  -0.00000  -0.00006  -0.00003  -0.00009   0.01465
   D206      -3.12268  -0.00000  -0.00030   0.00023  -0.00007  -3.12275
   D207      -0.00155  -0.00000  -0.00003   0.00003   0.00000  -0.00155
   D208       3.12658   0.00001   0.00014   0.00052   0.00066   3.12724
   D209       3.12835   0.00001   0.00018   0.00022   0.00040   3.12875
   D210      -0.02671   0.00002   0.00035   0.00071   0.00106  -0.02565
   D211       0.00506   0.00000  -0.00020   0.00066   0.00046   0.00552
   D212      -3.14060   0.00000  -0.00003   0.00023   0.00020  -3.14040
   D213      -3.12368  -0.00001  -0.00043   0.00045   0.00003  -3.12365
   D214       0.01385  -0.00001  -0.00026   0.00002  -0.00024   0.01361
   D215       0.00079   0.00000  -0.00010   0.00037   0.00026   0.00105
   D216       3.11245   0.00001   0.00025   0.00026   0.00051   3.11296
   D217      -3.12960  -0.00001  -0.00024  -0.00005  -0.00029  -3.12989
   D218      -0.01794  -0.00000   0.00011  -0.00015  -0.00004  -0.01799
   D219      -3.12152  -0.00001  -0.00018  -0.00057  -0.00074  -3.12226
   D220       0.01511  -0.00002  -0.00014  -0.00045  -0.00059   0.01452
   D221       0.00527   0.00000   0.00001  -0.00002  -0.00002   0.00525
   D222      -3.14128  -0.00000   0.00004   0.00009   0.00013  -3.14115
   D223       3.12248   0.00001   0.00028   0.00007   0.00035   3.12284
   D224      -0.01048   0.00001   0.00024   0.00017   0.00041  -0.01007
   D225       0.01757  -0.00000  -0.00015   0.00020   0.00005   0.01762
   D226      -3.11539  -0.00000  -0.00019   0.00030   0.00011  -3.11529
   D227       0.00990  -0.00000   0.00001   0.00014   0.00015   0.01006
   D228      -3.14055  -0.00000  -0.00003  -0.00049  -0.00053  -3.14107
   D229      -3.12560   0.00001   0.00012   0.00027   0.00039  -3.12521
   D230       0.00713   0.00000   0.00008  -0.00036  -0.00028   0.00685
   D231      -0.01106  -0.00000  -0.00008  -0.00033  -0.00041  -0.01147
   D232       3.12198  -0.00001  -0.00013   0.00003  -0.00010   3.12188
   D233       3.13937  -0.00000  -0.00004   0.00030   0.00027   3.13964
   D234      -0.01078  -0.00001  -0.00009   0.00067   0.00058  -0.01020
   D235      -0.00610   0.00000   0.00009   0.00052   0.00061  -0.00548
   D236       3.12110  -0.00000  -0.00014  -0.00103  -0.00117   3.11993
   D237      -3.13917   0.00001   0.00014   0.00016   0.00030  -3.13887
   D238      -0.01197   0.00000  -0.00009  -0.00139  -0.00148  -0.01345
   D239      -0.00591   0.00000   0.00011  -0.00017  -0.00006  -0.00597
   D240       3.14136  -0.00000   0.00002  -0.00013  -0.00011   3.14125
   D241       3.12476   0.00000   0.00020  -0.00011   0.00008   3.12485
   D242      -0.01115  -0.00000   0.00010  -0.00008   0.00003  -0.01112
   D243      -0.00845   0.00000  -0.00010   0.00032   0.00023  -0.00822
   D244       3.14047  -0.00000  -0.00003  -0.00025  -0.00028   3.14019
   D245       3.12744   0.00001  -0.00000   0.00029   0.00028   3.12772
   D246      -0.00683   0.00000   0.00006  -0.00029  -0.00023  -0.00706
   D247       0.00814  -0.00000   0.00003  -0.00027  -0.00025   0.00789
   D248      -3.12706  -0.00001   0.00001   0.00006   0.00006  -3.12700
   D249      -3.14079  -0.00000  -0.00004   0.00030   0.00026  -3.14053
   D250       0.00719  -0.00001  -0.00006   0.00063   0.00057   0.00776
   D251      -0.00991   0.00000   0.00004   0.00055   0.00059  -0.00933
   D252       3.13575  -0.00000   0.00006  -0.00033  -0.00028   3.13548
   D253       3.12858   0.00000   0.00008   0.00046   0.00054   3.12912
   D254      -0.00894  -0.00000   0.00010  -0.00042  -0.00032  -0.00926
   D255       0.00768  -0.00000  -0.00005  -0.00021  -0.00027   0.00741
   D256      -3.13631  -0.00001  -0.00011  -0.00004  -0.00015  -3.13646
   D257      -3.13798   0.00000  -0.00007   0.00067   0.00060  -3.13738
   D258       0.00122  -0.00001  -0.00012   0.00084   0.00071   0.00193
   D259       0.00901  -0.00000  -0.00001  -0.00003  -0.00004   0.00897
   D260      -3.12548  -0.00001  -0.00017  -0.00088  -0.00106  -3.12653
   D261      -3.13020   0.00001   0.00004  -0.00020  -0.00016  -3.13036
   D262       0.01850   0.00000  -0.00012  -0.00105  -0.00117   0.01733
   D263       0.00670  -0.00000  -0.00016  -0.00027  -0.00042   0.00628
   D264      -3.14009  -0.00000  -0.00008  -0.00001  -0.00009  -3.14018
   D265      -3.12375  -0.00000  -0.00010  -0.00104  -0.00114  -3.12489
   D266       0.01265   0.00000  -0.00002  -0.00079  -0.00081   0.01184
   D267       0.00972   0.00000  -0.00001  -0.00030  -0.00031   0.00941
   D268      -3.13978   0.00000  -0.00006  -0.00027  -0.00032  -3.14011
   D269      -3.12665  -0.00000  -0.00009  -0.00055  -0.00064  -3.12730
   D270       0.00702  -0.00000  -0.00014  -0.00052  -0.00066   0.00637
   D271      -0.00942   0.00000   0.00013   0.00036   0.00050  -0.00892
   D272       3.12564   0.00000   0.00009   0.00067   0.00076   3.12641
   D273       3.14011   0.00000   0.00018   0.00033   0.00051   3.14062
   D274      -0.00802   0.00000   0.00014   0.00064   0.00078  -0.00724
   D275       0.00694   0.00000  -0.00008   0.00015   0.00007   0.00702
   D276      -3.14043  -0.00000  -0.00005   0.00000  -0.00005  -3.14048
   D277      -3.12968   0.00000  -0.00011   0.00004  -0.00008  -3.12976
   D278       0.00613  -0.00000  -0.00009  -0.00011  -0.00020   0.00593
   D279      -0.00717  -0.00000   0.00004  -0.00011  -0.00007  -0.00724
   D280       3.13002  -0.00000   0.00010  -0.00053  -0.00043   3.12959
   D281       3.14019   0.00000   0.00001   0.00004   0.00005   3.14024
   D282      -0.00581   0.00000   0.00007  -0.00038  -0.00031  -0.00612
   D283      -0.00507   0.00000   0.00008  -0.00007   0.00001  -0.00506
   D284       3.12793   0.00000   0.00012  -0.00017  -0.00005   3.12788
   D285       3.14091   0.00000   0.00001   0.00035   0.00037   3.14128
   D286      -0.00928   0.00000   0.00006   0.00025   0.00031  -0.00897
   D287      -0.00374   0.00000  -0.00005   0.00022   0.00017  -0.00357
   D288       3.13965  -0.00000  -0.00008   0.00025   0.00016   3.13982
   D289       3.13371   0.00000   0.00019  -0.00004   0.00014   3.13385
   D290      -0.00609   0.00000   0.00015  -0.00002   0.00014  -0.00595
   D291      -0.00647   0.00000   0.00003   0.00004   0.00007  -0.00639
   D292       3.13853   0.00000   0.00007  -0.00051  -0.00044   3.13809
   D293       3.13332   0.00001   0.00007   0.00001   0.00008   3.13340
   D294      -0.00487   0.00001   0.00010  -0.00054  -0.00043  -0.00530
   D295       0.00568  -0.00000   0.00009  -0.00049  -0.00039   0.00529
   D296      -3.13184  -0.00000  -0.00007  -0.00005  -0.00013  -3.13196
   D297      -3.13933  -0.00001   0.00005   0.00007   0.00012  -3.13921
   D298       0.00634  -0.00000  -0.00011   0.00050   0.00039   0.00673
   D299       1.78526   0.00036   0.00226   0.00453   0.00679   1.79205
   D300      -0.47067   0.00002   0.00176   0.00332   0.00508  -0.46559
   D301      -2.71058   0.00009   0.00236   0.00379   0.00615  -2.70443
   D302       3.11728   0.00011  -0.00336  -0.00961  -0.01297   3.10431
   D303      -0.99790  -0.00009  -0.00333  -0.01010  -0.01343  -1.01134
   D304       1.23313  -0.00029  -0.00374  -0.01036  -0.01410   1.21903
   D305      -2.19429  -0.00015  -0.00790   0.11366   0.10576  -2.08853
   D306      -0.05453  -0.00014  -0.00843   0.12298   0.11454   0.06001
   D307       1.98861  -0.00014  -0.00796   0.11640   0.10845   2.09706
   D308       1.54011  -0.00002  -0.00434   0.00532   0.00098   1.54109
   D309      -2.63689   0.00002  -0.00426   0.00540   0.00115  -2.63575
   D310      -0.62224  -0.00003  -0.00474   0.00348  -0.00127  -0.62351
   D311      -3.05144   0.00018  -0.00254   0.01405   0.01151  -3.03993
   D312      -0.96529   0.00019  -0.00245   0.01231   0.00987  -0.95543
   D313       1.15250   0.00020  -0.00247   0.01394   0.01148   1.16397
   D314       1.12005  -0.00020  -0.00179   0.00673   0.00494   1.12498
   D315      -3.07699  -0.00019  -0.00169   0.00499   0.00329  -3.07370
   D316      -0.95920  -0.00018  -0.00171   0.00662   0.00490  -0.95430
   D317      -1.01991  -0.00008  -0.00253   0.00885   0.00632  -1.01359
   D318       1.06624  -0.00007  -0.00243   0.00711   0.00468   1.07092
   D319      -3.09916  -0.00006  -0.00245   0.00874   0.00629  -3.09287
   D320      -1.02586  -0.00056   0.00648  -0.09256  -0.08609  -1.11195
   D321       1.08625  -0.00040   0.00535  -0.08069  -0.07534   1.01091
   D322      -3.02966  -0.00043   0.00604  -0.08289  -0.07685  -3.10651
   D323       3.10253  -0.00002  -0.00212  -0.00754  -0.00966   3.09288
   D324      -1.08831   0.00001  -0.00164  -0.00542  -0.00706  -1.09537
   D325       1.02190  -0.00000  -0.00175  -0.00682  -0.00856   1.01334
   D326       1.07162  -0.00004  -0.00202  -0.00884  -0.01086   1.06076
   D327      -3.11923  -0.00000  -0.00154  -0.00672  -0.00827  -3.12749
   D328      -1.00902  -0.00002  -0.00165  -0.00812  -0.00977  -1.01879
   D329      -1.04338  -0.00006  -0.00234  -0.00643  -0.00876  -1.05214
   D330       1.04896  -0.00002  -0.00186  -0.00431  -0.00617   1.04279
   D331      -3.12401  -0.00004  -0.00196  -0.00571  -0.00767  -3.13168
         Item               Value     Threshold  Converged?
 Maximum Force            0.001040     0.000450     NO 
 RMS     Force            0.000091     0.000300     YES
 Maximum Displacement     0.417518     0.001800     NO 
 RMS     Displacement     0.033729     0.001200     NO 
 Predicted change in Energy=-5.101702D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.594829    3.245397    0.113411
      2          6           0       -2.754120    1.865074    0.256275
      3          6           0       -1.650535    1.004525    0.208959
      4          6           0       -0.359532    1.557411    0.081185
      5          6           0       -0.207575    2.940749   -0.081928
      6          6           0       -1.310843    3.781104   -0.079689
      7          6           0       -1.785263   -0.464207    0.171802
      8          6           0       -0.654485   -1.287580    0.398932
      9          6           0        0.629083   -0.643452    0.826653
     10          6           0        0.825289    0.687944    0.156431
     11          6           0       -2.990431   -1.055688   -0.224901
     12          6           0       -3.085763   -2.428972   -0.455419
     13          6           0       -1.941803   -3.223991   -0.322103
     14          6           0       -0.748225   -2.652314    0.097031
     15          7           0        1.787874   -1.463926    0.913371
     16          6           0        3.036976   -0.962052    0.438259
     17          6           0        3.079922    0.324898   -0.145713
     18          7           0        1.959877    1.128722   -0.265311
     19          6           0        4.229192   -1.703099    0.477525
     20          6           0        5.415853   -1.176323   -0.016299
     21          6           0        5.457961    0.100830   -0.596062
     22          6           0        4.280760    0.834980   -0.663672
     23          7           0       -3.725168    4.096631    0.155333
     24          7           0       -4.313027   -2.999929   -0.868092
     25          7           0        6.674919    0.625962   -1.098868
     26          6           0       -4.945349   -4.097191   -0.265240
     27          6           0       -6.158055   -4.360932   -0.949608
     28          6           0       -6.262623   -3.384550   -2.014266
     29          6           0       -5.110603   -2.561921   -1.935228
     30          6           0       -3.859712    5.244529    0.950899
     31          6           0       -5.130725    5.823707    0.710155
     32          6           0       -5.794425    4.992228   -0.272214
     33          6           0       -4.902928    3.937137   -0.590544
     34          6           0        7.258134    1.844490   -0.727142
     35          6           0        8.479901    2.002253   -1.429257
     36          6           0        8.640881    0.829084   -2.262802
     37          6           0        7.511484    0.002850   -2.033232
     38          6           0       -7.208953   -3.152480   -3.018729
     39          6           0       -6.994302   -2.121330   -3.928338
     40          6           0       -5.836872   -1.329106   -3.849311
     41          6           0       -4.879604   -1.538024   -2.858251
     42          6           0       -4.556479   -4.842223    0.851147
     43          6           0       -5.393361   -5.878384    1.259834
     44          6           0       -6.590766   -6.164975    0.582861
     45          6           0       -6.980207   -5.407982   -0.517854
     46          6           0       -7.041410    5.058060   -0.904007
     47          6           0       -7.380051    4.085769   -1.840197
     48          6           0       -6.478618    3.056206   -2.157307
     49          6           0       -5.230486    2.969627   -1.544564
     50          6           0       -2.977012    5.784255    1.890391
     51          6           0       -3.376050    6.933728    2.569070
     52          6           0       -4.624432    7.531322    2.328525
     53          6           0       -5.506797    6.978493    1.405467
     54          6           0        9.619267    0.420753   -3.176486
     55          6           0        9.459136   -0.788222   -3.846905
     56          6           0        8.326450   -1.587566   -3.618252
     57          6           0        7.337666   -1.205102   -2.714308
     58          6           0        6.815103    2.796793    0.194509
     59          6           0        7.608270    3.924979    0.391771
     60          6           0        8.815305    4.103817   -0.305026
     61          6           0        9.256988    3.146094   -1.212752
     62          8           0        0.479339   -3.051391    2.727697
     63         15           0        1.777767   -2.785855    2.081889
     64          8           0        3.008921   -2.500436    3.065553
     65          8           0        2.367801   -3.943105    1.131686
     66          6           0        2.818353   -1.942522    4.406909
     67          6           0        3.553868   -0.621607    4.518015
     68          6           0        2.595791   -5.272036    1.690469
     69          6           0        1.354527   -6.139590    1.582039
     70          1           0       -3.749413    1.473597    0.426821
     71          1           0        0.792633    3.339021   -0.206630
     72          1           0       -1.190681    4.849235   -0.221788
     73          1           0       -3.866798   -0.442212   -0.391396
     74          1           0       -1.984368   -4.277292   -0.574952
     75          1           0        0.129832   -3.280395    0.132965
     76          1           0        4.245862   -2.696057    0.897428
     77          1           0        6.325522   -1.763017    0.050389
     78          1           0        4.250937    1.816060   -1.122880
     79          1           0       -8.096739   -3.774218   -3.089859
     80          1           0       -7.721655   -1.931566   -4.711517
     81          1           0       -5.677368   -0.540660   -4.579101
     82          1           0       -3.980295   -0.933752   -2.818453
     83          1           0       -3.641976   -4.618715    1.389269
     84          1           0       -5.113019   -6.472337    2.124651
     85          1           0       -7.219107   -6.980525    0.927150
     86          1           0       -7.912678   -5.621639   -1.032331
     87          1           0       -7.733985    5.860754   -0.667343
     88          1           0       -8.346709    4.122918   -2.332753
     89          1           0       -6.755920    2.307696   -2.893563
     90          1           0       -4.538673    2.178008   -1.808516
     91          1           0       -2.017697    5.322867    2.095217
     92          1           0       -2.706102    7.371909    3.302839
     93          1           0       -4.903977    8.427494    2.873687
     94          1           0       -6.477708    7.432781    1.229944
     95          1           0       10.490107    1.042859   -3.362458
     96          1           0       10.211894   -1.115945   -4.557164
     97          1           0        8.214057   -2.522394   -4.159517
     98          1           0        6.460507   -1.821966   -2.553241
     99          1           0        5.888698    2.663830    0.741942
    100          1           0        7.284232    4.680125    1.101787
    101          1           0        9.407952    4.996360   -0.130023
    102          1           0       10.194671    3.281139   -1.744249
    103          1           0        1.749585   -1.834515    4.601563
    104          1           0        3.229029   -2.692383    5.088954
    105          1           0        3.495160   -0.260834    5.550276
    106          1           0        4.608567   -0.737769    4.252972
    107          1           0        3.099380    0.128235    3.866669
    108          1           0        3.423088   -5.677960    1.103198
    109          1           0        2.934269   -5.173203    2.726915
    110          1           0        1.574043   -7.142299    1.963701
    111          1           0        0.533091   -5.713590    2.162347
    112          1           0        1.039824   -6.233084    0.538564
    113         17           0        0.307528    0.123795    2.783537
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351494           0.0181692           0.0142798
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.8166680176 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000779    0.000218   -0.000128 Ang=   0.09 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48651169     A.U. after   12 cycles
            NFock= 12  Conv=0.32D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000050767   -0.000066273    0.000046003
      2        6          -0.000116321    0.000008926   -0.000073060
      3        6           0.000055456   -0.000036411    0.000053469
      4        6           0.000188661   -0.000242636   -0.000011827
      5        6           0.000013352    0.000097507    0.000011342
      6        6           0.000029713    0.000054660    0.000024722
      7        6          -0.000031889    0.000149979    0.000029547
      8        6           0.000043846    0.000027874    0.000281533
      9        6           0.000242633    0.000532472   -0.000425578
     10        6          -0.000471162   -0.000238151    0.000875961
     11        6          -0.000066937    0.000065495    0.000058913
     12        6           0.000053732    0.000020784    0.000095477
     13        6           0.000147384    0.000033061   -0.000085216
     14        6          -0.000008452   -0.000243741    0.000053173
     15        7          -0.000019926   -0.000185713   -0.000063388
     16        6           0.000077143    0.000361684    0.000314883
     17        6          -0.000475015    0.000304682   -0.000076213
     18        7           0.000592866   -0.000221305   -0.000375198
     19        6          -0.000170140   -0.000159199    0.000064869
     20        6           0.000131132    0.000001054   -0.000075408
     21        6          -0.000272583   -0.000184281    0.000116757
     22        6          -0.000019123    0.000028298    0.000025984
     23        7          -0.000024250    0.000011546   -0.000080166
     24        7          -0.000096917   -0.000016537   -0.000085307
     25        7           0.000240890    0.000025858   -0.000017671
     26        6          -0.000034225   -0.000051563    0.000060087
     27        6           0.000011675    0.000005928   -0.000002098
     28        6          -0.000020195    0.000016367   -0.000011054
     29        6           0.000010867    0.000008131    0.000080910
     30        6           0.000045913    0.000035274    0.000021037
     31        6           0.000006593    0.000011156    0.000057712
     32        6          -0.000041509   -0.000028424   -0.000009347
     33        6          -0.000035855   -0.000001288   -0.000069389
     34        6          -0.000008947    0.000015204    0.000024125
     35        6           0.000050619   -0.000003139    0.000000528
     36        6          -0.000024862    0.000023372   -0.000046290
     37        6          -0.000118515    0.000000648   -0.000022660
     38        6          -0.000016815    0.000004905   -0.000001908
     39        6          -0.000004892   -0.000027005   -0.000044028
     40        6          -0.000002175    0.000057457    0.000022022
     41        6           0.000066189   -0.000031313   -0.000109964
     42        6           0.000088339    0.000063386    0.000013633
     43        6          -0.000004990   -0.000026261    0.000024444
     44        6           0.000032641   -0.000031730   -0.000006428
     45        6          -0.000035283    0.000009447    0.000014512
     46        6          -0.000015858    0.000040061    0.000016277
     47        6          -0.000013398   -0.000045999    0.000019323
     48        6          -0.000054696    0.000020976   -0.000065850
     49        6           0.000061688   -0.000046959    0.000071033
     50        6           0.000046164    0.000022645   -0.000006125
     51        6           0.000013726    0.000002541    0.000007936
     52        6          -0.000039665   -0.000005953    0.000010519
     53        6          -0.000007737    0.000019791   -0.000011674
     54        6           0.000044653   -0.000003720    0.000010964
     55        6           0.000028616    0.000005300   -0.000016787
     56        6          -0.000040294   -0.000010045   -0.000000511
     57        6           0.000020634   -0.000002172    0.000007744
     58        6          -0.000008922   -0.000013377    0.000015988
     59        6          -0.000006174   -0.000015357    0.000017415
     60        6          -0.000006455    0.000033766   -0.000035102
     61        6           0.000002664    0.000010845    0.000000390
     62        8          -0.000206148    0.000001782    0.000069641
     63       15           0.000327562    0.000225273    0.000081019
     64        8          -0.000288741   -0.000339477   -0.000680196
     65        8          -0.000317080    0.000296612    0.000011264
     66        6           0.000230796    0.000529591    0.001099808
     67        6           0.000074749   -0.000184541   -0.000217505
     68        6           0.000509466   -0.000574793    0.000163300
     69        6          -0.000090301    0.000078060   -0.000118527
     70        1           0.000020711   -0.000029985    0.000056202
     71        1          -0.000000237    0.000001835    0.000018097
     72        1          -0.000006846   -0.000020612   -0.000006944
     73        1          -0.000009080    0.000019866   -0.000062872
     74        1          -0.000020993    0.000003951    0.000016878
     75        1           0.000023243    0.000031449    0.000016485
     76        1           0.000004393    0.000088587   -0.000050583
     77        1           0.000042169    0.000064306    0.000027962
     78        1           0.000069390    0.000029315   -0.000044028
     79        1           0.000003197   -0.000006968    0.000007395
     80        1          -0.000003529    0.000018261    0.000016459
     81        1           0.000009328   -0.000031937    0.000007929
     82        1          -0.000013768    0.000042745    0.000051965
     83        1          -0.000049372   -0.000017714   -0.000024386
     84        1          -0.000002362   -0.000001711   -0.000005872
     85        1          -0.000010480    0.000010767    0.000013666
     86        1           0.000012188   -0.000008820   -0.000017296
     87        1           0.000027721   -0.000020589   -0.000016121
     88        1           0.000013550    0.000016099   -0.000018713
     89        1          -0.000002707   -0.000013139    0.000021124
     90        1          -0.000001314    0.000016055   -0.000009532
     91        1          -0.000018752   -0.000021170    0.000022370
     92        1           0.000009786   -0.000008566    0.000000904
     93        1           0.000014039    0.000012270   -0.000007288
     94        1          -0.000006328   -0.000016325    0.000001228
     95        1          -0.000018600    0.000009864    0.000001833
     96        1          -0.000007585   -0.000000691    0.000000399
     97        1           0.000006966    0.000000222    0.000013410
     98        1          -0.000009379   -0.000012588    0.000003554
     99        1          -0.000023171   -0.000008470    0.000002618
    100        1          -0.000012770    0.000003504   -0.000007283
    101        1           0.000015472   -0.000009925    0.000015715
    102        1          -0.000006878   -0.000005669    0.000000434
    103        1           0.000012836    0.000004488   -0.000405239
    104        1           0.000014760   -0.000053592   -0.000098138
    105        1          -0.000072282    0.000008108    0.000038474
    106        1           0.000010962   -0.000034065    0.000115823
    107        1           0.000182959   -0.000048673    0.000072843
    108        1          -0.000089189    0.000064926   -0.000051637
    109        1          -0.000172535   -0.000025466   -0.000061762
    110        1          -0.000031399    0.000016126    0.000030398
    111        1           0.000047409   -0.000012909    0.000064944
    112        1           0.000052845   -0.000016440    0.000038530
    113       17          -0.000329047   -0.000261753   -0.000919740
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001099808 RMS     0.000155671

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005016491 RMS     0.000302283
 Search for a local minimum.
 Step number  42 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   37   38   39   40   41
                                                     42
 DE=  3.02D-05 DEPred=-5.10D-05 R=-5.92D-01
 Trust test=-5.92D-01 RLast= 3.37D-01 DXMaxT set to 3.19D-01
 ITU= -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0  0
 ITU=  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0  0
 ITU=  1  0
     Eigenvalues ---    0.00183   0.00302   0.00459   0.00589   0.00827
     Eigenvalues ---    0.00994   0.01527   0.01799   0.02207   0.02382
     Eigenvalues ---    0.02474   0.02486   0.02543   0.02555   0.02586
     Eigenvalues ---    0.02602   0.02636   0.02668   0.02681   0.02688
     Eigenvalues ---    0.02699   0.02705   0.02713   0.02715   0.02743
     Eigenvalues ---    0.02755   0.02771   0.02779   0.02794   0.02796
     Eigenvalues ---    0.02803   0.02810   0.02812   0.02819   0.02826
     Eigenvalues ---    0.02832   0.02847   0.02860   0.02864   0.02870
     Eigenvalues ---    0.02876   0.02884   0.02890   0.02897   0.02900
     Eigenvalues ---    0.02906   0.02908   0.02910   0.02916   0.02918
     Eigenvalues ---    0.02920   0.02927   0.02936   0.02944   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02954   0.02955   0.02958
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02972   0.02975
     Eigenvalues ---    0.02987   0.02991   0.02992   0.02999   0.03002
     Eigenvalues ---    0.03012   0.03022   0.03030   0.03045   0.03050
     Eigenvalues ---    0.03059   0.03063   0.03065   0.03079   0.03092
     Eigenvalues ---    0.03103   0.03109   0.03119   0.03132   0.03142
     Eigenvalues ---    0.03164   0.03175   0.03176   0.03188   0.03203
     Eigenvalues ---    0.03225   0.03239   0.03246   0.03276   0.03329
     Eigenvalues ---    0.03486   0.03588   0.03673   0.04982   0.05157
     Eigenvalues ---    0.05524   0.05633   0.05741   0.05863   0.05928
     Eigenvalues ---    0.05973   0.06172   0.06481   0.08980   0.10033
     Eigenvalues ---    0.11783   0.12157   0.13470   0.13870   0.14204
     Eigenvalues ---    0.15227   0.15892   0.15920   0.15962   0.15986
     Eigenvalues ---    0.15993   0.15994   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16005
     Eigenvalues ---    0.16009   0.16010   0.16021   0.16030   0.16044
     Eigenvalues ---    0.16081   0.16083   0.16160   0.16179   0.18142
     Eigenvalues ---    0.19825   0.20590   0.21014   0.21960   0.21996
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22013   0.22297
     Eigenvalues ---    0.22365   0.22439   0.22542   0.22587   0.22601
     Eigenvalues ---    0.22602   0.22615   0.22655   0.22676   0.22890
     Eigenvalues ---    0.23332   0.23449   0.23477   0.23825   0.24011
     Eigenvalues ---    0.24377   0.24449   0.24479   0.24493   0.24525
     Eigenvalues ---    0.24548   0.24571   0.24702   0.24764   0.24813
     Eigenvalues ---    0.24915   0.24971   0.24974   0.24978   0.24984
     Eigenvalues ---    0.24988   0.24991   0.24999   0.25049   0.25079
     Eigenvalues ---    0.25165   0.25812   0.25907   0.26567   0.27086
     Eigenvalues ---    0.27174   0.27985   0.28735   0.28764   0.28859
     Eigenvalues ---    0.29253   0.29339   0.29635   0.29954   0.30295
     Eigenvalues ---    0.30541   0.30660   0.30706   0.30850   0.30956
     Eigenvalues ---    0.31131   0.31191   0.31271   0.31400   0.31529
     Eigenvalues ---    0.31604   0.31741   0.32136   0.32233   0.32543
     Eigenvalues ---    0.33135   0.33418   0.33524   0.33964   0.34050
     Eigenvalues ---    0.34255   0.34496   0.34669   0.34937   0.35154
     Eigenvalues ---    0.35165   0.35468   0.35569   0.35768   0.36380
     Eigenvalues ---    0.36673   0.36794   0.37176   0.37309   0.39035
     Eigenvalues ---    0.39949   0.41524   0.41717   0.42080   0.42743
     Eigenvalues ---    0.43331   0.43455   0.44240   0.45275   0.45900
     Eigenvalues ---    0.47086   0.47106   0.47140   0.47238   0.47696
     Eigenvalues ---    0.47865   0.49609   0.49929   0.50162   0.50472
     Eigenvalues ---    0.50602   0.51220   0.51691   0.52060   0.52071
     Eigenvalues ---    0.52262   0.52650   0.52892   0.53115   0.53341
     Eigenvalues ---    0.53428   0.53798   0.54299   0.54348   0.55036
     Eigenvalues ---    0.55315   0.55608   0.55700   0.55958   0.56125
     Eigenvalues ---    0.56182   0.56299   0.56461   0.56646   0.56747
     Eigenvalues ---    0.56939   0.57183   0.57280   0.57864   0.58233
     Eigenvalues ---    0.58288   0.58293   0.58334   0.58512   0.58660
     Eigenvalues ---    0.58920   0.59011   0.59427   0.59707   0.59806
     Eigenvalues ---    0.60047   0.60556   0.60883   0.61399   0.62010
     Eigenvalues ---    0.63251   0.63527   0.64301   0.65141   0.65320
     Eigenvalues ---    0.65895   0.66768   0.67808   0.68874   0.72075
     Eigenvalues ---    0.73124   0.74579   0.77716   0.80531   0.81467
     Eigenvalues ---    0.85383   1.20564   5.67937
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    42   41   40   39   38   37   36   35   34   33
 RFO step:  Lambda=-1.70878757D-04.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did    12 forward-backward iterations
 DidBck=T Rises=T En-DIIS coefs:    0.44584    0.43844    0.11572    0.00000    0.00000
                  En-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.02257923 RMS(Int)=  0.00065151
 Iteration  2 RMS(Cart)=  0.00125479 RMS(Int)=  0.00000163
 Iteration  3 RMS(Cart)=  0.00000202 RMS(Int)=  0.00000072
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000072
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63959  -0.00004  -0.00007   0.00004  -0.00003   2.63956
    R2        2.65430   0.00005   0.00019  -0.00005   0.00014   2.65444
    R3        2.67516   0.00001  -0.00011   0.00004  -0.00007   2.67509
    R4        2.64608  -0.00001   0.00009  -0.00011  -0.00002   2.64606
    R5        2.04663   0.00001  -0.00006   0.00003  -0.00003   2.04660
    R6        2.66492  -0.00005  -0.00002  -0.00001  -0.00003   2.66488
    R7        2.78804  -0.00016  -0.00054   0.00020  -0.00034   2.78770
    R8        2.64786   0.00010   0.00014   0.00001   0.00015   2.64801
    R9        2.78081  -0.00020  -0.00018  -0.00018  -0.00036   2.78045
   R10        2.62080   0.00002   0.00001   0.00003   0.00004   2.62084
   R11        2.04805  -0.00000   0.00002  -0.00001   0.00001   2.04806
   R12        2.04888  -0.00002  -0.00007   0.00000  -0.00007   2.04881
   R13        2.67794   0.00001   0.00000  -0.00007  -0.00007   2.67787
   R14        2.64538  -0.00004   0.00008  -0.00007   0.00001   2.64539
   R15        2.83169  -0.00016  -0.00049   0.00072   0.00023   2.83192
   R16        2.64726   0.00010   0.00028  -0.00017   0.00011   2.64737
   R17        2.84108  -0.00047  -0.00096   0.00016  -0.00079   2.84028
   R18        2.68813  -0.00016  -0.00017   0.00024   0.00007   2.68820
   R19        2.43433   0.00032   0.00035  -0.00007   0.00029   2.43462
   R20        2.63760   0.00004  -0.00013   0.00007  -0.00005   2.63755
   R21        2.04588   0.00002   0.00004   0.00001   0.00005   2.04592
   R22        2.64458   0.00010   0.00024  -0.00015   0.00009   2.64468
   R23        2.67412   0.00006   0.00012   0.00010   0.00022   2.67435
   R24        2.62333  -0.00007  -0.00017   0.00012  -0.00005   2.62327
   R25        2.04858  -0.00001  -0.00003   0.00001  -0.00002   2.04856
   R26        2.04122   0.00000  -0.00003   0.00001  -0.00002   2.04120
   R27        2.69766  -0.00003   0.00006  -0.00007  -0.00002   2.69764
   R28        3.33419  -0.00021   0.00110  -0.00030   0.00080   3.33499
   R29        2.67188   0.00009   0.00018   0.00006   0.00025   2.67213
   R30        2.65375  -0.00004  -0.00012  -0.00001  -0.00012   2.65363
   R31        2.61503  -0.00042  -0.00016  -0.00032  -0.00048   2.61455
   R32        2.65268  -0.00004  -0.00021   0.00008  -0.00013   2.65255
   R33        2.62496   0.00007   0.00025  -0.00001   0.00024   2.62520
   R34        2.03754  -0.00010  -0.00029   0.00008  -0.00021   2.03733
   R35        2.65170  -0.00006  -0.00026  -0.00003  -0.00029   2.65140
   R36        2.04942   0.00001  -0.00001   0.00001   0.00000   2.04942
   R37        2.62485  -0.00004   0.00003  -0.00004  -0.00000   2.62485
   R38        2.67886   0.00013   0.00039   0.00003   0.00042   2.67928
   R39        2.04779   0.00003   0.00002   0.00002   0.00005   2.04783
   R40        2.65148   0.00004   0.00023  -0.00007   0.00016   2.65164
   R41        2.65161   0.00003   0.00020  -0.00003   0.00017   2.65178
   R42        2.65050   0.00002  -0.00005  -0.00001  -0.00007   2.65044
   R43        2.65017  -0.00007   0.00002  -0.00017  -0.00015   2.65002
   R44        2.64773  -0.00002  -0.00016  -0.00002  -0.00017   2.64756
   R45        2.64639  -0.00006  -0.00001  -0.00011  -0.00011   2.64628
   R46        2.67820   0.00000   0.00006  -0.00002   0.00004   2.67824
   R47        2.64063  -0.00000  -0.00001  -0.00002  -0.00002   2.64060
   R48        2.73701   0.00006   0.00015  -0.00003   0.00011   2.73712
   R49        2.64471   0.00002   0.00004   0.00000   0.00004   2.64475
   R50        2.67923   0.00001   0.00002   0.00002   0.00004   2.67927
   R51        2.64450   0.00002   0.00005  -0.00000   0.00005   2.64454
   R52        2.64136   0.00003   0.00004   0.00002   0.00006   2.64142
   R53        2.67840   0.00003  -0.00001   0.00001   0.00000   2.67841
   R54        2.64096   0.00002   0.00005  -0.00001   0.00005   2.64101
   R55        2.73645   0.00008   0.00013  -0.00001   0.00012   2.73658
   R56        2.64455   0.00000  -0.00000  -0.00001  -0.00001   2.64454
   R57        2.67869   0.00001   0.00002  -0.00001   0.00000   2.67870
   R58        2.64458   0.00000  -0.00003   0.00000  -0.00003   2.64456
   R59        2.64124  -0.00001   0.00002  -0.00002  -0.00000   2.64124
   R60        2.67953   0.00002   0.00014  -0.00005   0.00009   2.67962
   R61        2.64062  -0.00000   0.00005  -0.00003   0.00003   2.64064
   R62        2.73654   0.00003   0.00005  -0.00001   0.00004   2.73658
   R63        2.64502   0.00001   0.00001   0.00001   0.00002   2.64503
   R64        2.67975   0.00004   0.00007   0.00002   0.00009   2.67984
   R65        2.64480   0.00001   0.00003  -0.00001   0.00002   2.64482
   R66        2.64104  -0.00001  -0.00000  -0.00001  -0.00001   2.64102
   R67        2.62987   0.00003   0.00007  -0.00003   0.00003   2.62990
   R68        2.05258   0.00000  -0.00000   0.00001   0.00000   2.05258
   R69        2.65472   0.00003   0.00007   0.00001   0.00008   2.65480
   R70        2.05139  -0.00001  -0.00001  -0.00000  -0.00001   2.05139
   R71        2.63358  -0.00001   0.00002  -0.00003  -0.00001   2.63357
   R72        2.05249  -0.00003  -0.00011   0.00002  -0.00008   2.05241
   R73        2.04884   0.00002   0.00005  -0.00001   0.00004   2.04888
   R74        2.63278   0.00003   0.00004  -0.00000   0.00004   2.63282
   R75        2.04915  -0.00006  -0.00014   0.00001  -0.00014   2.04902
   R76        2.65519   0.00001   0.00002   0.00000   0.00002   2.65521
   R77        2.05214  -0.00000  -0.00001   0.00000  -0.00001   2.05213
   R78        2.62956   0.00004   0.00008  -0.00002   0.00006   2.62962
   R79        2.05144  -0.00000   0.00000   0.00000   0.00000   2.05144
   R80        2.05263  -0.00000  -0.00000   0.00000   0.00000   2.05263
   R81        2.62969   0.00003   0.00006  -0.00001   0.00006   2.62975
   R82        2.05276  -0.00004  -0.00012   0.00002  -0.00010   2.05266
   R83        2.65447  -0.00000  -0.00004   0.00000  -0.00004   2.65443
   R84        2.05139  -0.00001  -0.00002   0.00001  -0.00002   2.05138
   R85        2.63262   0.00006   0.00011  -0.00001   0.00010   2.63272
   R86        2.05210  -0.00001  -0.00002   0.00000  -0.00002   2.05208
   R87        2.04836  -0.00001  -0.00005  -0.00000  -0.00005   2.04831
   R88        2.63285   0.00001   0.00002  -0.00001   0.00001   2.63286
   R89        2.04852  -0.00001  -0.00005  -0.00000  -0.00005   2.04847
   R90        2.65467   0.00004   0.00003   0.00000   0.00004   2.65471
   R91        2.05212   0.00000   0.00000   0.00000   0.00001   2.05212
   R92        2.62952   0.00002   0.00004  -0.00002   0.00002   2.62954
   R93        2.05144   0.00000  -0.00000   0.00000  -0.00000   2.05144
   R94        2.05264   0.00000  -0.00000   0.00000  -0.00000   2.05264
   R95        2.62986   0.00002   0.00002  -0.00000   0.00001   2.62987
   R96        2.05274  -0.00001  -0.00002   0.00000  -0.00001   2.05272
   R97        2.65519   0.00004   0.00006   0.00000   0.00007   2.65526
   R98        2.05148  -0.00001  -0.00002   0.00000  -0.00001   2.05146
   R99        2.63282  -0.00001  -0.00001  -0.00001  -0.00002   2.63280
   R100       2.05233  -0.00001  -0.00003   0.00001  -0.00002   2.05231
   R101       2.04918   0.00002   0.00002   0.00000   0.00003   2.04920
   R102       2.63265  -0.00000   0.00002  -0.00002  -0.00000   2.63264
   R103       2.04893   0.00002   0.00004   0.00001   0.00004   2.04897
   R104       2.65535   0.00004   0.00004   0.00001   0.00005   2.65540
   R105       2.05222   0.00000  -0.00000   0.00000   0.00000   2.05222
   R106       2.62956   0.00002   0.00003  -0.00001   0.00003   2.62959
   R107       2.05145   0.00000   0.00001  -0.00001   0.00001   2.05146
   R108       2.05275  -0.00001  -0.00003   0.00001  -0.00002   2.05273
   R109       2.78598   0.00020   0.00015   0.00002   0.00017   2.78615
   R110       3.02639  -0.00079  -0.00029   0.00012  -0.00017   3.02622
   R111       3.04138   0.00002  -0.00079   0.00021  -0.00058   3.04079
   R112       2.76883  -0.00032   0.00026   0.00135   0.00161   2.77045
   R113       2.75814   0.00051   0.00013   0.00071   0.00084   2.75898
   R114       2.86476  -0.00016  -0.00050  -0.00037  -0.00086   2.86389
   R115       2.06302  -0.00000  -0.00053  -0.00004  -0.00058   2.06245
   R116       2.06675  -0.00001  -0.00003  -0.00000  -0.00003   2.06672
   R117       2.06937   0.00004  -0.00001  -0.00003  -0.00003   2.06934
   R118       2.06675  -0.00003  -0.00016   0.00002  -0.00014   2.06661
   R119       2.06411  -0.00017   0.00019  -0.00003   0.00016   2.06427
   R120       2.86911  -0.00003   0.00021  -0.00018   0.00004   2.86915
   R121       2.06498  -0.00005  -0.00028   0.00005  -0.00023   2.06476
   R122       2.06884  -0.00012  -0.00018  -0.00007  -0.00025   2.06859
   R123       2.06947  -0.00002   0.00002  -0.00002  -0.00000   2.06946
   R124       2.06404   0.00000   0.00004  -0.00003   0.00000   2.06404
   R125       2.06717  -0.00005  -0.00017   0.00001  -0.00016   2.06702
   R126       5.73796   0.00050  -0.11395  -0.02012  -0.13407   5.60390
    A1        2.08886   0.00003   0.00003  -0.00001   0.00002   2.08888
    A2        2.09454  -0.00005  -0.00011   0.00000  -0.00011   2.09443
    A3        2.09976   0.00001   0.00007   0.00001   0.00009   2.09985
    A4        2.11062  -0.00004  -0.00010  -0.00002  -0.00012   2.11050
    A5        2.06929   0.00005   0.00045  -0.00006   0.00039   2.06969
    A6        2.10304  -0.00001  -0.00035   0.00007  -0.00029   2.10275
    A7        2.07559   0.00008   0.00015   0.00008   0.00023   2.07582
    A8        2.14205  -0.00007  -0.00010  -0.00005  -0.00015   2.14190
    A9        2.06191  -0.00000  -0.00008  -0.00005  -0.00013   2.06179
   A10        2.09081  -0.00003  -0.00000  -0.00010  -0.00011   2.09071
   A11        2.09533  -0.00000  -0.00019   0.00010  -0.00009   2.09524
   A12        2.09666   0.00003   0.00018  -0.00000   0.00018   2.09684
   A13        2.10803  -0.00002  -0.00007   0.00004  -0.00003   2.10799
   A14        2.06722   0.00001   0.00010  -0.00004   0.00006   2.06728
   A15        2.10793   0.00001  -0.00003  -0.00000  -0.00003   2.10791
   A16        2.09015  -0.00001   0.00006  -0.00002   0.00004   2.09020
   A17        2.08871  -0.00000  -0.00008   0.00006  -0.00002   2.08869
   A18        2.10432   0.00001   0.00003  -0.00005  -0.00002   2.10430
   A19        2.09614  -0.00002  -0.00005  -0.00003  -0.00008   2.09606
   A20        2.10177   0.00004   0.00003  -0.00004  -0.00001   2.10176
   A21        2.07932  -0.00001   0.00003   0.00003   0.00006   2.07938
   A22        2.07089  -0.00007  -0.00003  -0.00021  -0.00024   2.07065
   A23        2.06929   0.00009  -0.00006   0.00012   0.00006   2.06935
   A24        2.13839  -0.00002   0.00007   0.00011   0.00017   2.13856
   A25        1.94466   0.00015  -0.00033  -0.00018  -0.00050   1.94415
   A26        2.05698  -0.00005   0.00020  -0.00046  -0.00026   2.05673
   A27        2.01712   0.00011   0.00061   0.00005   0.00066   2.01778
   A28        2.02747   0.00005   0.00022  -0.00006   0.00016   2.02763
   A29        2.08316   0.00003  -0.00018   0.00023   0.00005   2.08320
   A30        2.16990  -0.00008   0.00014  -0.00019  -0.00005   2.16985
   A31        2.11920  -0.00006  -0.00012  -0.00011  -0.00023   2.11897
   A32        2.09560   0.00004  -0.00003   0.00014   0.00012   2.09572
   A33        2.06785   0.00002   0.00012  -0.00004   0.00009   2.06794
   A34        2.07988   0.00007   0.00010   0.00006   0.00016   2.08004
   A35        2.09946  -0.00008  -0.00019  -0.00000  -0.00019   2.09927
   A36        2.10308   0.00001   0.00008  -0.00006   0.00002   2.10310
   A37        2.09168  -0.00001  -0.00006   0.00003  -0.00003   2.09165
   A38        2.09169  -0.00001  -0.00028   0.00008  -0.00020   2.09149
   A39        2.09937   0.00002   0.00036  -0.00010   0.00025   2.09963
   A40        2.12209  -0.00008  -0.00005  -0.00012  -0.00017   2.12192
   A41        2.10007  -0.00000  -0.00035   0.00017  -0.00018   2.09989
   A42        2.05954   0.00008   0.00038  -0.00004   0.00034   2.05988
   A43        2.08257   0.00000  -0.00066  -0.00011  -0.00076   2.08181
   A44        2.05766  -0.00117  -0.00037  -0.00028  -0.00065   2.05700
   A45        2.08155   0.00105   0.00046   0.00028   0.00073   2.08229
   A46        2.07606  -0.00009   0.00009  -0.00001   0.00008   2.07614
   A47        2.15080  -0.00002  -0.00023  -0.00019  -0.00043   2.15037
   A48        2.05565   0.00012   0.00006   0.00019   0.00026   2.05590
   A49        2.14104   0.00003   0.00010   0.00008   0.00018   2.14122
   A50        2.10497  -0.00009  -0.00005  -0.00023  -0.00028   2.10469
   A51        2.03693   0.00007   0.00000   0.00014   0.00014   2.03707
   A52        2.07810   0.00003  -0.00034   0.00016  -0.00018   2.07793
   A53        2.11204  -0.00005   0.00010  -0.00007   0.00002   2.11207
   A54        2.10596   0.00005   0.00062  -0.00026   0.00036   2.10632
   A55        2.06517   0.00000  -0.00073   0.00034  -0.00039   2.06479
   A56        2.11493  -0.00009  -0.00038  -0.00004  -0.00042   2.11451
   A57        2.08237   0.00010   0.00047   0.00007   0.00054   2.08291
   A58        2.08589  -0.00002  -0.00009  -0.00003  -0.00013   2.08576
   A59        2.06660   0.00016   0.00045   0.00007   0.00052   2.06712
   A60        2.10536  -0.00001  -0.00006  -0.00006  -0.00012   2.10524
   A61        2.11123  -0.00015  -0.00038  -0.00001  -0.00039   2.11083
   A62        2.11179  -0.00004  -0.00016   0.00007  -0.00010   2.11170
   A63        2.05082   0.00010   0.00075  -0.00012   0.00063   2.05145
   A64        2.12054  -0.00006  -0.00058   0.00005  -0.00053   2.12001
   A65        2.19604  -0.00001   0.00008  -0.00005   0.00003   2.19607
   A66        2.19704  -0.00002  -0.00010   0.00005  -0.00005   2.19700
   A67        1.89010   0.00003   0.00002  -0.00000   0.00002   1.89012
   A68        2.19111   0.00000   0.00013  -0.00012   0.00001   2.19112
   A69        2.20077  -0.00004  -0.00021   0.00010  -0.00011   2.20066
   A70        1.89126   0.00004   0.00007   0.00002   0.00009   1.89135
   A71        2.19617  -0.00004   0.00005  -0.00001   0.00004   2.19621
   A72        2.19525   0.00000  -0.00011   0.00003  -0.00009   2.19516
   A73        1.89159   0.00004   0.00010   0.00001   0.00011   1.89171
   A74        1.90053  -0.00002  -0.00004  -0.00000  -0.00004   1.90049
   A75        2.25885  -0.00002  -0.00010  -0.00001  -0.00011   2.25874
   A76        2.12316   0.00004   0.00014   0.00002   0.00016   2.12332
   A77        1.86637  -0.00000   0.00001  -0.00002  -0.00001   1.86636
   A78        2.08625  -0.00003  -0.00012  -0.00000  -0.00012   2.08613
   A79        2.33050   0.00003   0.00011   0.00002   0.00013   2.33063
   A80        1.86659  -0.00001  -0.00004  -0.00001  -0.00006   1.86654
   A81        2.32985   0.00003   0.00009   0.00002   0.00010   2.32996
   A82        2.08664  -0.00001  -0.00005  -0.00000  -0.00005   2.08659
   A83        1.90002   0.00000  -0.00001   0.00002   0.00001   1.90004
   A84        2.26177  -0.00003  -0.00007  -0.00001  -0.00008   2.26169
   A85        2.12058   0.00002   0.00007  -0.00001   0.00006   2.12064
   A86        1.90074  -0.00003  -0.00006   0.00002  -0.00005   1.90069
   A87        2.26082   0.00002   0.00006   0.00003   0.00009   2.26091
   A88        2.12089   0.00001  -0.00004  -0.00003  -0.00007   2.12082
   A89        1.86670   0.00001   0.00006  -0.00002   0.00004   1.86675
   A90        2.08724   0.00000   0.00005   0.00002   0.00008   2.08732
   A91        2.32913  -0.00001  -0.00013   0.00000  -0.00013   2.32900
   A92        1.86658  -0.00000   0.00003  -0.00001   0.00002   1.86660
   A93        2.32905   0.00002  -0.00008   0.00004  -0.00004   2.32901
   A94        2.08752  -0.00002   0.00005  -0.00003   0.00002   2.08753
   A95        1.90065  -0.00001  -0.00005   0.00001  -0.00003   1.90062
   A96        2.26298  -0.00002   0.00012  -0.00006   0.00007   2.26305
   A97        2.11898   0.00003  -0.00008   0.00005  -0.00003   2.11895
   A98        1.90081  -0.00001  -0.00000   0.00000   0.00000   1.90081
   A99        2.25972  -0.00003  -0.00000  -0.00007  -0.00007   2.25965
   A100       2.12228   0.00004  -0.00000   0.00007   0.00007   2.12235
   A101       1.86572  -0.00002  -0.00006  -0.00000  -0.00006   1.86566
   A102       2.08599  -0.00002  -0.00001  -0.00005  -0.00006   2.08593
   A103       2.33142   0.00004   0.00007   0.00005   0.00013   2.33155
   A104       1.86534  -0.00000   0.00003  -0.00002   0.00001   1.86535
   A105       2.33207   0.00000  -0.00006   0.00004  -0.00002   2.33206
   A106       2.08570   0.00000   0.00003  -0.00001   0.00001   2.08572
   A107       1.90131  -0.00002  -0.00007   0.00001  -0.00006   1.90126
   A108       2.25936   0.00001   0.00009  -0.00001   0.00007   2.25944
   A109       2.12205   0.00001  -0.00003   0.00002  -0.00001   2.12204
   A110       2.08027  -0.00000  -0.00001   0.00001  -0.00000   2.08027
   A111       2.09995  -0.00001  -0.00001  -0.00003  -0.00004   2.09991
   A112       2.10295   0.00001   0.00002   0.00001   0.00004   2.10299
   A113       2.10384   0.00000   0.00004  -0.00001   0.00003   2.10387
   A114       2.09178   0.00001   0.00001   0.00002   0.00003   2.09181
   A115       2.08753  -0.00001  -0.00005  -0.00001  -0.00005   2.08748
   A116       2.11928   0.00000  -0.00004   0.00003  -0.00001   2.11927
   A117       2.08583  -0.00000   0.00003  -0.00003  -0.00000   2.08583
   A118       2.07804  -0.00000   0.00001   0.00000   0.00001   2.07805
   A119       2.05545  -0.00002  -0.00002  -0.00001  -0.00003   2.05542
   A120       2.11895  -0.00000  -0.00004  -0.00001  -0.00005   2.11890
   A121       2.10866   0.00002   0.00007   0.00003   0.00010   2.10876
   A122       2.05299  -0.00001  -0.00005  -0.00002  -0.00007   2.05293
   A123       2.11914   0.00001  -0.00004   0.00002  -0.00002   2.11911
   A124       2.11100   0.00000   0.00009   0.00000   0.00009   2.11109
   A125       2.12031  -0.00001  -0.00004   0.00001  -0.00003   2.12028
   A126       2.07752   0.00001   0.00003  -0.00000   0.00003   2.07755
   A127       2.08534   0.00000   0.00001  -0.00001   0.00000   2.08534
   A128       2.10444   0.00001   0.00006  -0.00000   0.00006   2.10450
   A129       2.08713  -0.00000  -0.00001  -0.00001  -0.00002   2.08711
   A130       2.09160  -0.00000  -0.00005   0.00001  -0.00004   2.09156
   A131       2.07902  -0.00000   0.00000  -0.00000  -0.00000   2.07902
   A132       2.10058  -0.00000   0.00004  -0.00002   0.00002   2.10060
   A133       2.10357   0.00000  -0.00004   0.00002  -0.00002   2.10355
   A134       2.08024   0.00001   0.00003  -0.00001   0.00002   2.08026
   A135       2.09961  -0.00000  -0.00002   0.00002  -0.00000   2.09961
   A136       2.10333  -0.00000  -0.00001  -0.00001  -0.00002   2.10331
   A137       2.10345   0.00001  -0.00003   0.00002  -0.00000   2.10345
   A138       2.09214  -0.00000  -0.00000  -0.00001  -0.00001   2.09213
   A139       2.08760  -0.00001   0.00003  -0.00002   0.00001   2.08761
   A140       2.11906  -0.00001  -0.00003  -0.00001  -0.00004   2.11902
   A141       2.08794   0.00001   0.00014  -0.00002   0.00012   2.08805
   A142       2.07619   0.00000  -0.00011   0.00003  -0.00008   2.07611
   A143       2.05688  -0.00001   0.00006  -0.00002   0.00004   2.05692
   A144       2.12020   0.00001   0.00015  -0.00004   0.00011   2.12031
   A145       2.10609   0.00000  -0.00022   0.00007  -0.00015   2.10594
   A146       2.05465  -0.00001   0.00000   0.00000   0.00001   2.05466
   A147       2.11951   0.00000   0.00005  -0.00000   0.00005   2.11956
   A148       2.10897   0.00001  -0.00006  -0.00000  -0.00006   2.10892
   A149       2.12008   0.00000   0.00001   0.00002   0.00003   2.12011
   A150       2.07757  -0.00001  -0.00005  -0.00001  -0.00006   2.07751
   A151       2.08552   0.00001   0.00004  -0.00001   0.00004   2.08556
   A152       2.10377   0.00000  -0.00001  -0.00002  -0.00003   2.10374
   A153       2.08751  -0.00001  -0.00003  -0.00001  -0.00004   2.08747
   A154       2.09188   0.00001   0.00004   0.00003   0.00007   2.09195
   A155       2.07948  -0.00000  -0.00002  -0.00000  -0.00002   2.07945
   A156       2.10022  -0.00001  -0.00005  -0.00001  -0.00006   2.10016
   A157       2.10347   0.00001   0.00007   0.00001   0.00008   2.10355
   A158       2.08004  -0.00001  -0.00001  -0.00000  -0.00001   2.08002
   A159       2.10030  -0.00001  -0.00007   0.00001  -0.00007   2.10024
   A160       2.10284   0.00002   0.00008  -0.00000   0.00008   2.10292
   A161       2.10434  -0.00000  -0.00003   0.00001  -0.00002   2.10431
   A162       2.09168   0.00001   0.00006  -0.00001   0.00005   2.09174
   A163       2.08715  -0.00000  -0.00002  -0.00000  -0.00003   2.08712
   A164       2.11945   0.00001   0.00004   0.00000   0.00005   2.11949
   A165       2.08519  -0.00000   0.00001  -0.00002  -0.00001   2.08518
   A166       2.07853  -0.00001  -0.00005   0.00002  -0.00003   2.07850
   A167       2.05464  -0.00001  -0.00000  -0.00001  -0.00002   2.05463
   A168       2.11753   0.00000   0.00002  -0.00002   0.00000   2.11753
   A169       2.11098   0.00000  -0.00002   0.00004   0.00001   2.11099
   A170       2.05418  -0.00002  -0.00001  -0.00002  -0.00004   2.05414
   A171       2.11804   0.00000   0.00002  -0.00005  -0.00003   2.11801
   A172       2.11096   0.00002  -0.00001   0.00008   0.00007   2.11103
   A173       2.11990   0.00000   0.00001  -0.00001  -0.00000   2.11989
   A174       2.07808  -0.00001  -0.00003   0.00002  -0.00001   2.07807
   A175       2.08521   0.00001   0.00002  -0.00000   0.00001   2.08522
   A176       2.10430   0.00000   0.00002   0.00001   0.00003   2.10432
   A177       2.08708  -0.00000  -0.00001  -0.00000  -0.00001   2.08707
   A178       2.09180  -0.00000  -0.00001  -0.00000  -0.00002   2.09179
   A179       2.07961  -0.00000  -0.00000   0.00001   0.00001   2.07961
   A180       2.10036  -0.00000  -0.00000  -0.00001  -0.00001   2.10036
   A181       2.10321   0.00001   0.00000  -0.00001  -0.00000   2.10321
   A182       2.01541  -0.00054  -0.00018  -0.00034  -0.00051   2.01489
   A183       1.84300  -0.00098  -0.00079   0.00073  -0.00006   1.84294
   A184       1.71694   0.00118   0.00041  -0.00023   0.00018   1.71712
   A185       2.02650  -0.00001  -0.00019  -0.00030  -0.00049   2.02602
   A186       2.03980  -0.00017   0.00030   0.00017   0.00047   2.04027
   A187       1.78129   0.00074   0.00050   0.00007   0.00057   1.78186
   A188       2.12960  -0.00502  -0.00097  -0.00142  -0.00239   2.12721
   A189       2.07822   0.00032   0.00369  -0.00137   0.00232   2.08055
   A190       1.91323   0.00011  -0.00368  -0.00115  -0.00483   1.90840
   A191       1.90523  -0.00210   0.00011  -0.00063  -0.00051   1.90472
   A192       1.83486   0.00099   0.00366   0.00060   0.00426   1.83912
   A193       1.95596   0.00136  -0.00209   0.00097  -0.00113   1.95483
   A194       1.94929  -0.00061   0.00118   0.00016   0.00134   1.95064
   A195       1.90101   0.00016   0.00115   0.00001   0.00116   1.90217
   A196       1.90725  -0.00008   0.00009  -0.00005   0.00005   1.90730
   A197       1.93647  -0.00002   0.00125   0.00025   0.00150   1.93798
   A198       1.93113   0.00017   0.00006   0.00025   0.00031   1.93143
   A199       1.89140   0.00001   0.00005  -0.00001   0.00004   1.89143
   A200       1.88982  -0.00004  -0.00012  -0.00005  -0.00017   1.88966
   A201       1.90674  -0.00004  -0.00138  -0.00040  -0.00177   1.90497
   A202       1.94467  -0.00010  -0.00034  -0.00003  -0.00037   1.94431
   A203       1.82424  -0.00001  -0.00056  -0.00013  -0.00069   1.82355
   A204       1.90556   0.00008   0.00039  -0.00043  -0.00004   1.90552
   A205       1.94799   0.00006   0.00034   0.00010   0.00044   1.94843
   A206       1.95192  -0.00008  -0.00104   0.00047  -0.00057   1.95134
   A207       1.88415   0.00008   0.00130  -0.00004   0.00126   1.88542
   A208       1.91179   0.00002   0.00011  -0.00014  -0.00002   1.91177
   A209       1.93269  -0.00005  -0.00096   0.00048  -0.00048   1.93221
   A210       1.93068  -0.00000   0.00066  -0.00032   0.00035   1.93102
   A211       1.89938  -0.00002  -0.00079   0.00026  -0.00052   1.89885
   A212       1.88794  -0.00000   0.00011  -0.00003   0.00008   1.88802
   A213       1.90052   0.00006   0.00086  -0.00026   0.00060   1.90112
   A214       2.00644  -0.00065   0.06325   0.01666   0.07991   2.08635
    D1       -0.00074  -0.00002  -0.00076   0.00017  -0.00059  -0.00133
    D2        3.11764  -0.00004  -0.00092  -0.00016  -0.00108   3.11656
    D3        3.13411  -0.00002  -0.00121   0.00018  -0.00102   3.13309
    D4       -0.03069  -0.00004  -0.00137  -0.00015  -0.00151  -0.03220
    D5       -0.03780   0.00001   0.00064  -0.00030   0.00034  -0.03746
    D6        3.10808   0.00000   0.00009  -0.00017  -0.00009   3.10799
    D7        3.11056   0.00001   0.00108  -0.00031   0.00077   3.11133
    D8       -0.02676   0.00001   0.00054  -0.00018   0.00035  -0.02641
    D9        2.26057   0.00001   0.00351  -0.00121   0.00230   2.26287
   D10       -0.88044   0.00003   0.00411  -0.00074   0.00337  -0.87706
   D11       -0.88781   0.00001   0.00306  -0.00120   0.00187  -0.88594
   D12        2.25437   0.00002   0.00366  -0.00073   0.00293   2.25731
   D13        0.05502   0.00001  -0.00007   0.00022   0.00015   0.05517
   D14       -2.99335  -0.00002   0.00035   0.00048   0.00084  -2.99251
   D15       -3.06292   0.00003   0.00008   0.00055   0.00063  -3.06228
   D16        0.17190  -0.00000   0.00051   0.00082   0.00133   0.17322
   D17       -0.07119   0.00001   0.00102  -0.00047   0.00056  -0.07064
   D18        3.04090  -0.00003   0.00029  -0.00057  -0.00028   3.04062
   D19        2.98148   0.00004   0.00062  -0.00072  -0.00011   2.98138
   D20       -0.18961   0.00000  -0.00012  -0.00083  -0.00094  -0.19055
   D21       -2.91632  -0.00002  -0.00089   0.00013  -0.00076  -2.91709
   D22        0.34334  -0.00006  -0.00102   0.00054  -0.00049   0.34285
   D23        0.31780  -0.00006  -0.00048   0.00039  -0.00009   0.31770
   D24       -2.70573  -0.00010  -0.00062   0.00080   0.00018  -2.70555
   D25        0.03375  -0.00003  -0.00117   0.00034  -0.00082   0.03293
   D26       -3.11129  -0.00002  -0.00080   0.00019  -0.00062  -3.11191
   D27       -3.07832   0.00001  -0.00042   0.00044   0.00002  -3.07830
   D28        0.05982   0.00001  -0.00006   0.00029   0.00022   0.06004
   D29       -0.35692   0.00009  -0.00007   0.00043   0.00036  -0.35656
   D30        2.85956   0.00003  -0.00251   0.00068  -0.00183   2.85772
   D31        2.75507   0.00005  -0.00081   0.00033  -0.00048   2.75459
   D32       -0.31163  -0.00001  -0.00325   0.00057  -0.00268  -0.31431
   D33        0.02120   0.00002   0.00032   0.00004   0.00037   0.02157
   D34       -3.12471   0.00002   0.00088  -0.00008   0.00079  -3.12391
   D35       -3.11685   0.00001  -0.00005   0.00020   0.00015  -3.11670
   D36        0.02042   0.00001   0.00051   0.00008   0.00058   0.02100
   D37        0.11926  -0.00005   0.00108   0.00037   0.00145   0.12072
   D38       -2.92183  -0.00008   0.00136   0.00021   0.00157  -2.92026
   D39       -3.13888  -0.00001   0.00122  -0.00004   0.00118  -3.13770
   D40        0.10321  -0.00004   0.00149  -0.00020   0.00129   0.10451
   D41        2.97674   0.00007  -0.00042  -0.00024  -0.00066   2.97608
   D42       -0.12935   0.00006   0.00027  -0.00012   0.00016  -0.12919
   D43       -0.04792   0.00004  -0.00055   0.00017  -0.00038  -0.04829
   D44        3.12918   0.00003   0.00015   0.00029   0.00044   3.12962
   D45       -0.63646   0.00010  -0.00110  -0.00067  -0.00177  -0.63823
   D46       -3.02819  -0.00020  -0.00193  -0.00001  -0.00194  -3.03013
   D47        2.40043   0.00013  -0.00139  -0.00050  -0.00189   2.39854
   D48        0.00870  -0.00017  -0.00222   0.00016  -0.00206   0.00663
   D49       -0.08278   0.00004  -0.00105   0.00012  -0.00094  -0.08372
   D50        2.99891   0.00002  -0.00148   0.00036  -0.00111   2.99780
   D51       -3.11977   0.00001  -0.00076  -0.00003  -0.00080  -3.12056
   D52       -0.03807  -0.00001  -0.00119   0.00021  -0.00097  -0.03904
   D53        0.75000  -0.00010   0.00061   0.00028   0.00088   0.75089
   D54       -2.47063  -0.00003   0.00317   0.00004   0.00321  -2.46742
   D55       -3.12310   0.00011   0.00124  -0.00060   0.00064  -3.12245
   D56       -0.06055   0.00018   0.00381  -0.00084   0.00297  -0.05758
   D57        2.41628   0.00040   0.00384  -0.00000   0.00384   2.42012
   D58       -1.09698   0.00029   0.00228  -0.00026   0.00202  -1.09496
   D59        0.05479   0.00008   0.00338   0.00079   0.00417   0.05896
   D60        2.82472  -0.00003   0.00182   0.00053   0.00235   2.82706
   D61        3.09969  -0.00018  -0.00331  -0.00016  -0.00347   3.09622
   D62        0.03950  -0.00025  -0.00596   0.00010  -0.00587   0.03363
   D63       -0.03108  -0.00002  -0.00087  -0.00004  -0.00091  -0.03199
   D64       -3.13107  -0.00002  -0.00037  -0.00002  -0.00039  -3.13146
   D65        3.07556  -0.00001  -0.00155  -0.00015  -0.00171   3.07385
   D66       -0.02444  -0.00001  -0.00105  -0.00013  -0.00118  -0.02562
   D67        0.05333   0.00001   0.00132  -0.00005   0.00127   0.05459
   D68       -3.05643  -0.00001   0.00053  -0.00019   0.00034  -3.05609
   D69       -3.12995   0.00001   0.00081  -0.00007   0.00074  -3.12921
   D70        0.04348  -0.00001   0.00002  -0.00021  -0.00019   0.04328
   D71       -2.24083   0.00001  -0.00058   0.00135   0.00078  -2.24006
   D72        0.88859   0.00001  -0.00018   0.00066   0.00048   0.88907
   D73        0.94292   0.00001  -0.00007   0.00137   0.00130   0.94422
   D74       -2.21084   0.00001   0.00033   0.00068   0.00101  -2.20984
   D75        0.00415  -0.00003  -0.00035   0.00001  -0.00034   0.00380
   D76       -3.07889  -0.00000   0.00008  -0.00024  -0.00015  -3.07904
   D77        3.11376  -0.00000   0.00043   0.00015   0.00058   3.11435
   D78        0.03072   0.00002   0.00087  -0.00009   0.00077   0.03150
   D79       -0.03438  -0.00024  -0.00795  -0.00010  -0.00805  -0.04243
   D80       -3.13567  -0.00018  -0.00558   0.00015  -0.00542  -3.14109
   D81       -2.79920   0.00035  -0.00618   0.00029  -0.00590  -2.80509
   D82        0.38270   0.00041  -0.00381   0.00054  -0.00327   0.37943
   D83        0.15685  -0.00005  -0.00002   0.00082   0.00081   0.15766
   D84       -2.10729   0.00121   0.00104   0.00086   0.00190  -2.10539
   D85        2.34171   0.00026   0.00055   0.00070   0.00125   2.34295
   D86        2.92700  -0.00039  -0.00182   0.00048  -0.00134   2.92565
   D87        0.66286   0.00087  -0.00076   0.00051  -0.00025   0.66261
   D88       -1.17133  -0.00007  -0.00126   0.00035  -0.00090  -1.17223
   D89        0.01151   0.00018   0.00614  -0.00070   0.00544   0.01695
   D90       -3.10527   0.00008   0.00343  -0.00026   0.00317  -3.10209
   D91        3.11500   0.00012   0.00389  -0.00095   0.00294   3.11794
   D92       -0.00178   0.00002   0.00118  -0.00050   0.00067  -0.00110
   D93        3.12459  -0.00008  -0.00324   0.00036  -0.00289   3.12170
   D94       -0.02207  -0.00005  -0.00431   0.00087  -0.00344  -0.02551
   D95        0.02286  -0.00001  -0.00090   0.00061  -0.00029   0.02257
   D96       -3.12380   0.00001  -0.00196   0.00112  -0.00084  -3.12464
   D97       -0.01405   0.00007   0.00089   0.00069   0.00159  -0.01246
   D98        3.10363   0.00016   0.00350   0.00026   0.00377   3.10740
   D99       -0.01896  -0.00001  -0.00024   0.00001  -0.00023  -0.01919
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   D102      -0.00368  -0.00009  -0.00248   0.00035  -0.00214  -0.00582
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   D105       3.12264  -0.00003   0.00072  -0.00073  -0.00001   3.12263
   D106      -0.02152  -0.00004   0.00042  -0.00084  -0.00042  -0.02195
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   D109      -3.13611   0.00003   0.00157  -0.00016   0.00141  -3.13470
   D110       0.00486   0.00002   0.00097   0.00028   0.00125   0.00612
   D111       0.01829  -0.00001  -0.00098   0.00038  -0.00060   0.01769
   D112      -3.11486  -0.00003  -0.00131   0.00047  -0.00085  -3.11571
   D113      -3.12268  -0.00000  -0.00039  -0.00006  -0.00045  -3.12312
   D114       0.02735  -0.00002  -0.00072   0.00003  -0.00069   0.02666
   D115      -2.17474  -0.00000  -0.00249   0.00073  -0.00176  -2.17650
   D116       0.94441   0.00004  -0.00000   0.00273   0.00273   0.94714
   D117       0.96622  -0.00001  -0.00310   0.00118  -0.00191   0.96430
   D118      -2.19782   0.00003  -0.00061   0.00319   0.00258  -2.19524
   D119       3.14031   0.00001   0.00039   0.00033   0.00072   3.14103
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   D121      -0.00179  -0.00000  -0.00012  -0.00007  -0.00019  -0.00198
   D122       3.09856  -0.00001  -0.00144   0.00045  -0.00098   3.09758
   D123      -3.13926  -0.00001  -0.00044  -0.00030  -0.00074  -3.14000
   D124      -0.03419   0.00000  -0.00072  -0.00000  -0.00072  -0.03490
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   D126       3.10791   0.00002  -0.00020   0.00040   0.00020   3.10811
   D127       3.12863   0.00000   0.00037  -0.00052  -0.00016   3.12847
   D128       0.02567  -0.00001   0.00019  -0.00066  -0.00048   0.02520
   D129      -0.00261   0.00001   0.00003   0.00007   0.00010  -0.00251
   D130      -3.10556  -0.00000  -0.00015  -0.00007  -0.00022  -3.10579
   D131      -3.12994  -0.00000  -0.00032   0.00053   0.00021  -3.12974
   D132       0.05506   0.00000  -0.00014   0.00054   0.00040   0.05545
   D133       0.00122  -0.00001   0.00002  -0.00007  -0.00005   0.00117
   D134      -3.09697   0.00000   0.00020  -0.00005   0.00014  -3.09683
   D135       3.12155   0.00003   0.00192   0.00145   0.00337   3.12492
   D136       0.00948   0.00002   0.00217   0.00121   0.00338   0.01286
   D137      -0.00086  -0.00000  -0.00021  -0.00026  -0.00047  -0.00133
   D138      -3.11293  -0.00001   0.00004  -0.00050  -0.00046  -3.11338
   D139      -3.12256  -0.00003  -0.00191  -0.00150  -0.00341  -3.12597
   D140       0.05179  -0.00004  -0.00167  -0.00207  -0.00374   0.04805
   D141      -0.00014   0.00000   0.00021   0.00021   0.00043   0.00028
   D142      -3.10898  -0.00000   0.00045  -0.00036   0.00010  -3.10888
   D143       0.00294  -0.00000  -0.00007  -0.00004  -0.00011   0.00283
   D144      -3.12761  -0.00001  -0.00020  -0.00004  -0.00024  -3.12785
   D145       3.10947   0.00000   0.00009   0.00009   0.00018   3.10965
   D146      -0.02107  -0.00000  -0.00004   0.00009   0.00005  -0.02103
   D147       3.11920   0.00001   0.00026   0.00004   0.00030   3.11950
   D148      -0.01156   0.00001   0.00033  -0.00006   0.00028  -0.01128
   D149       0.02055   0.00000   0.00006  -0.00011  -0.00005   0.02050
   D150      -3.11021  -0.00000   0.00014  -0.00021  -0.00008  -3.11028
   D151      -0.00216   0.00000   0.00008   0.00000   0.00008  -0.00208
   D152       3.12355   0.00000   0.00007  -0.00003   0.00004   3.12360
   D153       3.12618   0.00000   0.00023   0.00000   0.00023   3.12641
   D154      -0.03130   0.00000   0.00022  -0.00003   0.00020  -0.03110
   D155       0.00634  -0.00000  -0.00007   0.00002  -0.00005   0.00629
   D156       3.14124   0.00001   0.00011   0.00016   0.00027   3.14151
   D157      -3.12068  -0.00000  -0.00024   0.00002  -0.00022  -3.12090
   D158       0.01423   0.00001  -0.00007   0.00016   0.00009   0.01432
   D159       0.00060   0.00000  -0.00006   0.00004  -0.00002   0.00058
   D160       3.10296  -0.00000  -0.00022   0.00003  -0.00020   3.10277
   D161      -3.12775   0.00000  -0.00005   0.00006   0.00001  -3.12774
   D162      -0.02538  -0.00000  -0.00022   0.00005  -0.00017  -0.02555
   D163      -3.11625   0.00000   0.00009   0.00003   0.00012  -3.11613
   D164       0.01903   0.00000   0.00022  -0.00004   0.00018   0.01921
   D165       0.00788   0.00000   0.00008   0.00000   0.00008   0.00796
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   D167       3.11723   0.00000   0.00015  -0.00006   0.00009   3.11732
   D168      -0.00809  -0.00003  -0.00086  -0.00020  -0.00106  -0.00915
   D169       0.02382   0.00001   0.00035  -0.00005   0.00030   0.02411
   D170      -3.10150  -0.00003  -0.00066  -0.00019  -0.00085  -3.10235
   D171       0.00008   0.00000   0.00012   0.00002   0.00014   0.00022
   D172       3.12744   0.00000  -0.00072   0.00050  -0.00022   3.12723
   D173      -3.10420   0.00001   0.00131  -0.00046   0.00085  -3.10335
   D174       0.02316   0.00001   0.00047   0.00003   0.00050   0.02366
   D175      -3.11830   0.00000   0.00088  -0.00051   0.00038  -3.11792
   D176       0.01280  -0.00001   0.00047  -0.00060  -0.00013   0.01267
   D177      -0.02248  -0.00001  -0.00058   0.00007  -0.00050  -0.02298
   D178       3.10862  -0.00002  -0.00100  -0.00002  -0.00101   3.10761
   D179       0.00163   0.00000  -0.00008   0.00004  -0.00003   0.00160
   D180      -3.13000   0.00000   0.00041  -0.00019   0.00021  -3.12979
   D181      -3.12292   0.00000   0.00093  -0.00054   0.00039  -3.12253
   D182       0.02864   0.00000   0.00141  -0.00078   0.00063   0.02927
   D183      -0.00692  -0.00000  -0.00002  -0.00011  -0.00013  -0.00705
   D184       3.14092   0.00000   0.00013  -0.00003   0.00010   3.14102
   D185       3.11592  -0.00000  -0.00112   0.00053  -0.00059   3.11533
   D186      -0.01942   0.00000  -0.00097   0.00061  -0.00036  -0.01978
   D187      -0.00275  -0.00000   0.00000  -0.00009  -0.00009  -0.00284
   D188      -3.11140  -0.00001   0.00025  -0.00036  -0.00011  -3.11152
   D189       3.13052  -0.00000  -0.00040   0.00011  -0.00029   3.13023
   D190       0.02187  -0.00002  -0.00016  -0.00016  -0.00031   0.02155
   D191       3.12568   0.00001  -0.00018   0.00025   0.00007   3.12576
   D192      -0.01277   0.00001  -0.00021   0.00027   0.00006  -0.01271
   D193      -0.00494   0.00001   0.00035  -0.00001   0.00034  -0.00461
   D194       3.13978   0.00001   0.00032   0.00001   0.00033   3.14011
   D195      -3.12463  -0.00000   0.00026  -0.00012   0.00014  -3.12449
   D196       0.01082  -0.00001  -0.00033  -0.00006  -0.00039   0.01043
   D197      -0.02352   0.00001  -0.00004   0.00021   0.00017  -0.02335
   D198       3.11193   0.00000  -0.00063   0.00027  -0.00037   3.11156
   D199       0.00149   0.00001   0.00012   0.00021   0.00033   0.00182
   D200      -3.13070  -0.00000   0.00035  -0.00015   0.00019  -3.13051
   D201       3.11633   0.00001  -0.00010   0.00042   0.00032   3.11664
   D202      -0.01586   0.00000   0.00012   0.00006   0.00018  -0.01568
   D203       3.12345   0.00001  -0.00021   0.00013  -0.00007   3.12337
   D204      -0.01395   0.00000  -0.00021  -0.00003  -0.00024  -0.01419
   D205       0.01465  -0.00000   0.00007  -0.00013  -0.00006   0.01459
   D206      -3.12275  -0.00001   0.00007  -0.00030  -0.00023  -3.12298
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   D208       3.12724  -0.00000  -0.00043   0.00039  -0.00004   3.12720
   D209       3.12875   0.00001  -0.00026   0.00036   0.00009   3.12884
   D210      -0.02565   0.00001  -0.00070   0.00082   0.00012  -0.02553
   D211       0.00552  -0.00000  -0.00028   0.00009  -0.00019   0.00534
   D212      -3.14040  -0.00000  -0.00012   0.00005  -0.00007  -3.14047
   D213      -3.12365  -0.00001   0.00002  -0.00038  -0.00036  -3.12401
   D214       0.01361  -0.00001   0.00018  -0.00042  -0.00025   0.01336
   D215       0.00105   0.00000  -0.00013  -0.00009  -0.00022   0.00084
   D216       3.11296   0.00000  -0.00035   0.00043   0.00008   3.11304
   D217      -3.12989  -0.00000   0.00023  -0.00047  -0.00024  -3.13013
   D218      -0.01799   0.00000   0.00002   0.00004   0.00006  -0.01793
   D219      -3.12226  -0.00000   0.00049  -0.00045   0.00003  -3.12223
   D220       0.01452  -0.00001   0.00041  -0.00060  -0.00019   0.01433
   D221       0.00525   0.00000   0.00000   0.00006   0.00006   0.00531
   D222      -3.14115  -0.00001  -0.00007  -0.00009  -0.00016  -3.14131
   D223       3.12284   0.00000  -0.00028   0.00051   0.00023   3.12307
   D224      -0.01007  -0.00000  -0.00031   0.00049   0.00018  -0.00989
   D225       0.01762  -0.00000  -0.00001  -0.00012  -0.00013   0.01748
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   D232       3.12188   0.00000   0.00004  -0.00004  -0.00001   3.12187
   D233       3.13964  -0.00001  -0.00016  -0.00001  -0.00017   3.13946
   D234      -0.01020  -0.00001  -0.00035  -0.00011  -0.00046  -0.01066
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   D236       3.11993   0.00002   0.00065   0.00014   0.00079   3.12072
   D237      -3.13887  -0.00001  -0.00016   0.00010  -0.00007  -3.13894
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   D262       0.01733   0.00001   0.00069   0.00009   0.00078   0.01810
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   D296      -3.13196  -0.00000   0.00009  -0.00013  -0.00004  -3.13200
   D297      -3.13921  -0.00001  -0.00005  -0.00016  -0.00021  -3.13942
   D298       0.00673  -0.00001  -0.00022  -0.00012  -0.00033   0.00640
   D299       1.79205  -0.00198  -0.00470   0.00226  -0.00245   1.78960
   D300      -0.46559  -0.00040  -0.00364   0.00231  -0.00133  -0.46693
   D301      -2.70443  -0.00074  -0.00431   0.00224  -0.00207  -2.70650
   D302       3.10431  -0.00020   0.00735  -0.00430   0.00304   3.10736
   D303      -1.01134  -0.00012   0.00758  -0.00480   0.00279  -1.00855
   D304       1.21903   0.00034   0.00795  -0.00502   0.00292   1.22195
   D305      -2.08853  -0.00006  -0.05727  -0.01915  -0.07642  -2.16495
   D306       0.06001   0.00034  -0.06215  -0.01911  -0.08126  -0.02125
   D307       2.09706   0.00005  -0.05882  -0.01909  -0.07791   2.01915
   D308       1.54109  -0.00005  -0.00099  -0.00325  -0.00424   1.53685
   D309      -2.63575  -0.00004  -0.00110  -0.00322  -0.00432  -2.64006
   D310      -0.62351   0.00008   0.00030  -0.00353  -0.00323  -0.62674
   D311      -3.03993  -0.00090  -0.00625  -0.00485  -0.01110  -3.05103
   D312      -0.95543  -0.00096  -0.00535  -0.00474  -0.01009  -0.96552
   D313       1.16397  -0.00091  -0.00620  -0.00491  -0.01111   1.15286
   D314       1.12498   0.00078  -0.00250  -0.00389  -0.00638   1.11860
   D315      -3.07370   0.00072  -0.00160  -0.00378  -0.00538  -3.07908
   D316      -0.95430   0.00077  -0.00245  -0.00395  -0.00640  -0.96070
   D317      -1.01359   0.00003  -0.00333  -0.00473  -0.00806  -1.02164
   D318       1.07092  -0.00003  -0.00243  -0.00463  -0.00705   1.06387
   D319      -3.09287   0.00002  -0.00328  -0.00479  -0.00807  -3.10094
   D320      -1.11195   0.00170   0.04593   0.01595   0.06188  -1.05007
   D321       1.01091   0.00129   0.04001   0.01469   0.05470   1.06561
   D322      -3.10651   0.00156   0.04091   0.01557   0.05647  -3.05004
   D323       3.09288   0.00002   0.00581  -0.00327   0.00254   3.09541
   D324      -1.09537  -0.00003   0.00430  -0.00273   0.00157  -1.09380
   D325       1.01334   0.00001   0.00519  -0.00295   0.00224   1.01558
   D326       1.06076   0.00006   0.00650  -0.00316   0.00334   1.06410
   D327      -3.12749   0.00001   0.00499  -0.00262   0.00238  -3.12512
   D328      -1.01879   0.00005   0.00588  -0.00284   0.00305  -1.01574
   D329      -1.05214  -0.00002   0.00532  -0.00351   0.00181  -1.05034
   D330       1.04279  -0.00007   0.00381  -0.00297   0.00084   1.04363
   D331      -3.13168  -0.00003   0.00470  -0.00319   0.00151  -3.13017
         Item               Value     Threshold  Converged?
 Maximum Force            0.005016     0.000450     NO 
 RMS     Force            0.000302     0.000300     NO 
 Maximum Displacement     0.298240     0.001800     NO 
 RMS     Displacement     0.022776     0.001200     NO 
 Predicted change in Energy=-8.998830D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.593816    3.246331    0.117325
      2          6           0       -2.753298    1.865956    0.259323
      3          6           0       -1.649918    1.005281    0.209900
      4          6           0       -0.358871    1.557777    0.081074
      5          6           0       -0.206680    2.941371   -0.080329
      6          6           0       -1.309793    3.781954   -0.076306
      7          6           0       -1.785149   -0.463173    0.170732
      8          6           0       -0.654246   -1.287127    0.394877
      9          6           0        0.629567   -0.643764    0.823441
     10          6           0        0.825487    0.687844    0.154496
     11          6           0       -2.991023   -1.053663   -0.225323
     12          6           0       -3.086607   -2.426463   -0.458442
     13          6           0       -1.942233   -3.221705   -0.329574
     14          6           0       -0.748086   -2.651095    0.089299
     15          7           0        1.787913   -1.465004    0.909477
     16          6           0        3.037793   -0.960668    0.439068
     17          6           0        3.079825    0.324890   -0.148344
     18          7           0        1.959561    1.127647   -0.270101
     19          6           0        4.231089   -1.699551    0.483655
     20          6           0        5.418267   -1.172246   -0.008720
     21          6           0        5.459062    0.102874   -0.592661
     22          6           0        4.281004    0.835185   -0.665116
     23          7           0       -3.724063    4.097583    0.160135
     24          7           0       -4.314794   -2.996550   -0.869975
     25          7           0        6.676252    0.628530   -1.094993
     26          6           0       -4.946445   -4.094456   -0.267673
     27          6           0       -6.160431   -4.356722   -0.950385
     28          6           0       -6.266505   -3.378568   -2.013345
     29          6           0       -5.113986   -2.556536   -1.934970
     30          6           0       -3.857336    5.246487    0.954614
     31          6           0       -5.129156    5.824761    0.715952
     32          6           0       -5.794790    4.991619   -0.263794
     33          6           0       -4.903585    3.936474   -0.582770
     34          6           0        7.255599    1.850177   -0.727825
     35          6           0        8.476631    2.009435   -1.430977
     36          6           0        8.640825    0.834011   -2.260748
     37          6           0        7.514057    0.005026   -2.027895
     38          6           0       -7.214436   -3.144441   -3.015853
     39          6           0       -7.000799   -2.111962   -3.924219
     40          6           0       -5.842887   -1.320305   -3.845847
     41          6           0       -4.883958   -1.531350   -2.856851
     42          6           0       -4.555614   -4.841396    0.846738
     43          6           0       -5.391989   -5.878075    1.255226
     44          6           0       -6.590665   -6.163278    0.579892
     45          6           0       -6.982004   -5.404346   -0.518855
     46          6           0       -7.043162    5.056229   -0.892938
     47          6           0       -7.383680    4.082435   -1.826926
     48          6           0       -6.482643    3.052752   -2.144673
     49          6           0       -5.233039    2.967482   -1.534631
     50          6           0       -2.973202    5.787406    1.892104
     51          6           0       -3.371442    6.937424    2.570346
     52          6           0       -4.620495    7.534339    2.331488
     53          6           0       -5.504433    6.980097    1.410768
     54          6           0        9.620058    0.425697   -3.173551
     55          6           0        9.463312   -0.785949   -3.839949
     56          6           0        8.333197   -1.588052   -3.608041
     57          6           0        7.343698   -1.205729   -2.704837
     58          6           0        6.809732    2.804239    0.190655
     59          6           0        7.599310    3.935663    0.383721
     60          6           0        8.805601    4.115934   -0.314053
     61          6           0        9.250132    3.156483   -1.218578
     62          8           0        0.474273   -3.056066    2.716960
     63         15           0        1.774657   -2.790022    2.075102
     64          8           0        3.002606   -2.506444    3.063149
     65          8           0        2.366951   -3.945032    1.124101
     66          6           0        2.804387   -1.948504    4.404319
     67          6           0        3.628299   -0.684791    4.549088
     68          6           0        2.590889   -5.277712    1.676713
     69          6           0        1.346831   -6.140663    1.563415
     70          1           0       -3.748244    1.474264    0.431312
     71          1           0        0.793505    3.339615   -0.205319
     72          1           0       -1.189558    4.850118   -0.217805
     73          1           0       -3.867443   -0.439721   -0.389961
     74          1           0       -1.985471   -4.274377   -0.584876
     75          1           0        0.130323   -3.278840    0.122027
     76          1           0        4.248819   -2.690931    0.906939
     77          1           0        6.329204   -1.756419    0.062658
     78          1           0        4.251478    1.814934   -1.127233
     79          1           0       -8.102678   -3.765599   -3.086380
     80          1           0       -7.729504   -1.920389   -4.705692
     81          1           0       -5.684245   -0.530842   -4.574659
     82          1           0       -3.984632   -0.927064   -2.817053
     83          1           0       -3.640103   -4.618954    1.383441
     84          1           0       -5.110220   -6.473564    2.118515
     85          1           0       -7.218651   -6.979154    0.924063
     86          1           0       -7.915334   -5.617157   -1.032124
     87          1           0       -7.735358    5.859091   -0.655973
     88          1           0       -8.351339    4.118783   -2.317556
     89          1           0       -6.761381    2.302910   -2.879013
     90          1           0       -4.541497    2.175956   -1.799460
     91          1           0       -2.013610    5.326294    2.096127
     92          1           0       -2.700338    7.376472    3.302543
     93          1           0       -4.899226    8.431092    2.876108
     94          1           0       -6.476013    7.433545    1.236791
     95          1           0       10.488775    1.049993   -3.362050
     96          1           0       10.216672   -1.113700   -4.549545
     97          1           0        8.223520   -2.525087   -4.146014
     98          1           0        6.468601   -1.824863   -2.541185
     99          1           0        5.883825    2.670202    0.738712
    100          1           0        7.272961    4.692310    1.091076
    101          1           0        9.395567    5.010853   -0.142120
    102          1           0       10.187208    3.292717   -1.750820
    103          1           0        1.740316   -1.763084    4.560932
    104          1           0        3.134919   -2.729421    5.094982
    105          1           0        3.552880   -0.319975    5.578821
    106          1           0        4.682044   -0.875597    4.327329
    107          1           0        3.257264    0.095896    3.881168
    108          1           0        3.417086   -5.682587    1.087395
    109          1           0        2.928243   -5.184878    2.713940
    110          1           0        1.562169   -7.145203    1.942628
    111          1           0        0.526351   -5.713606    2.144301
    112          1           0        1.033380   -6.230051    0.519290
    113         17           0        0.303274    0.110776    2.767198
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351581           0.0181697           0.0142743
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.8932556061 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000647   -0.000161    0.000066 Ang=  -0.08 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48656272     A.U. after   11 cycles
            NFock= 11  Conv=0.79D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000042737   -0.000001857    0.000012386
      2        6          -0.000011074   -0.000023549   -0.000021409
      3        6          -0.000021939    0.000089789   -0.000016513
      4        6           0.000065427   -0.000088970    0.000002756
      5        6           0.000002364    0.000029828    0.000013207
      6        6          -0.000018951    0.000017458    0.000001648
      7        6           0.000057408   -0.000108129   -0.000018355
      8        6          -0.000415365   -0.000468836   -0.000691828
      9        6          -0.000341524    0.000335497    0.000757336
     10        6           0.000047427    0.000370928   -0.000322304
     11        6          -0.000021006    0.000029048    0.000061913
     12        6           0.000133122   -0.000022786    0.000040193
     13        6          -0.000109729    0.000020317   -0.000046133
     14        6           0.000051901    0.000135608    0.000034130
     15        7           0.000601905   -0.000630107   -0.000115678
     16        6           0.000061682    0.000149386    0.000007371
     17        6          -0.000054749    0.000078027   -0.000029060
     18        7          -0.000012127   -0.000143692   -0.000026800
     19        6          -0.000109374   -0.000031699    0.000010778
     20        6           0.000068501    0.000089391   -0.000043405
     21        6          -0.000071913   -0.000138436    0.000063641
     22        6          -0.000044080   -0.000019003    0.000023609
     23        7          -0.000016805    0.000031034   -0.000026500
     24        7          -0.000107411   -0.000038201   -0.000089826
     25        7           0.000149143    0.000003092   -0.000013264
     26        6          -0.000022283    0.000020600    0.000021051
     27        6          -0.000003055    0.000007990   -0.000009743
     28        6          -0.000015420   -0.000010205   -0.000000204
     29        6           0.000051899   -0.000029342    0.000063681
     30        6           0.000017462   -0.000029921    0.000015422
     31        6          -0.000013741   -0.000007119    0.000034159
     32        6          -0.000004994   -0.000001639   -0.000009352
     33        6          -0.000015589    0.000016674   -0.000034802
     34        6           0.000011589   -0.000023218    0.000009960
     35        6           0.000030848   -0.000013021    0.000004149
     36        6          -0.000014477    0.000023309   -0.000032968
     37        6          -0.000091802    0.000045628   -0.000006821
     38        6          -0.000004958    0.000013256    0.000000249
     39        6          -0.000006947   -0.000013919   -0.000015941
     40        6           0.000003156    0.000005590    0.000023666
     41        6           0.000019647    0.000005009   -0.000049387
     42        6           0.000020140    0.000015137    0.000003573
     43        6          -0.000002330   -0.000000288    0.000006518
     44        6           0.000007108   -0.000013303   -0.000006092
     45        6          -0.000010681   -0.000002259    0.000015392
     46        6          -0.000005795    0.000003681    0.000001197
     47        6          -0.000000576   -0.000012841    0.000014089
     48        6          -0.000017602    0.000011687   -0.000022713
     49        6           0.000024499   -0.000017561    0.000024590
     50        6           0.000012055    0.000018411   -0.000007782
     51        6          -0.000000250    0.000003722    0.000004692
     52        6          -0.000015968   -0.000002408    0.000001434
     53        6           0.000006180    0.000014053   -0.000010439
     54        6           0.000022502   -0.000007185    0.000009072
     55        6           0.000010635   -0.000000602   -0.000004394
     56        6          -0.000017410    0.000000547    0.000005849
     57        6           0.000013357   -0.000013033    0.000002036
     58        6          -0.000001766    0.000003852    0.000014701
     59        6          -0.000004756   -0.000014424    0.000003562
     60        6           0.000001829    0.000019681   -0.000016512
     61        6          -0.000012398    0.000006211    0.000002899
     62        8          -0.000094285   -0.000034804    0.000068158
     63       15           0.000164782    0.000269693   -0.000237795
     64        8          -0.000055266   -0.000183151   -0.000237092
     65        8          -0.000150981    0.000160824   -0.000097596
     66        6           0.000055480    0.000332140    0.000469021
     67        6          -0.000048022   -0.000145092   -0.000089532
     68        6           0.000190636   -0.000268872    0.000117322
     69        6          -0.000028634    0.000036936   -0.000016021
     70        1           0.000006213   -0.000003400    0.000022427
     71        1           0.000004170   -0.000002839    0.000002960
     72        1          -0.000002122   -0.000000575   -0.000004852
     73        1          -0.000003078   -0.000003585   -0.000025055
     74        1          -0.000006209   -0.000007386    0.000011740
     75        1           0.000022740    0.000013007    0.000015265
     76        1          -0.000021517   -0.000010493   -0.000035673
     77        1           0.000019758    0.000025849    0.000015019
     78        1           0.000015457    0.000010794   -0.000017500
     79        1           0.000001004   -0.000005360    0.000001654
     80        1          -0.000002066    0.000007730    0.000005291
     81        1           0.000004382   -0.000003059   -0.000007717
     82        1          -0.000007173    0.000009754    0.000018628
     83        1          -0.000004825   -0.000004174   -0.000005926
     84        1          -0.000001306   -0.000004609   -0.000000965
     85        1          -0.000005228    0.000003507    0.000005388
     86        1           0.000005153   -0.000004358   -0.000009980
     87        1           0.000002088   -0.000000748   -0.000002790
     88        1           0.000003296    0.000005623   -0.000009011
     89        1          -0.000003098   -0.000007875    0.000008210
     90        1           0.000000900    0.000005030   -0.000001043
     91        1          -0.000001747   -0.000009898    0.000004927
     92        1           0.000005020   -0.000002407    0.000000148
     93        1           0.000006043    0.000004436   -0.000001603
     94        1          -0.000002674   -0.000006418    0.000001978
     95        1          -0.000006055    0.000006254   -0.000000587
     96        1          -0.000000893    0.000000702   -0.000002188
     97        1           0.000004041   -0.000002486    0.000001306
     98        1          -0.000002890   -0.000001282    0.000004156
     99        1          -0.000007222   -0.000006266   -0.000005488
    100        1          -0.000005585    0.000004653   -0.000001827
    101        1           0.000006522   -0.000005513    0.000007035
    102        1           0.000001240   -0.000001625   -0.000002160
    103        1           0.000035275   -0.000155003   -0.000091402
    104        1           0.000012117   -0.000013989   -0.000026559
    105        1          -0.000045017    0.000016540    0.000002901
    106        1          -0.000002302    0.000006802    0.000029275
    107        1           0.000021149    0.000029060   -0.000032868
    108        1          -0.000016290    0.000025169   -0.000006648
    109        1          -0.000060560    0.000010863   -0.000015321
    110        1          -0.000002985   -0.000000825   -0.000001253
    111        1           0.000014132   -0.000007178    0.000012640
    112        1           0.000014254    0.000004730    0.000014404
    113       17           0.000076498    0.000226286    0.000523910
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000757336 RMS     0.000111222

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003046350 RMS     0.000181531
 Search for a local minimum.
 Step number  43 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38   39   40
                                                     41   42   43
 DE= -5.10D-05 DEPred=-9.00D-05 R= 5.67D-01
 TightC=F SS=  1.41D+00  RLast= 2.33D-01 DXNew= 5.3720D-01 6.9892D-01
 Trust test= 5.67D-01 RLast= 2.33D-01 DXMaxT set to 5.37D-01
 ITU=  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1  0
 ITU=  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0  0
 ITU=  0  1  0
     Eigenvalues ---    0.00166   0.00331   0.00445   0.00541   0.00671
     Eigenvalues ---    0.00957   0.01501   0.01751   0.02229   0.02325
     Eigenvalues ---    0.02467   0.02486   0.02543   0.02555   0.02586
     Eigenvalues ---    0.02602   0.02634   0.02641   0.02678   0.02682
     Eigenvalues ---    0.02698   0.02704   0.02709   0.02714   0.02741
     Eigenvalues ---    0.02754   0.02771   0.02776   0.02793   0.02796
     Eigenvalues ---    0.02802   0.02804   0.02812   0.02813   0.02823
     Eigenvalues ---    0.02831   0.02845   0.02853   0.02863   0.02871
     Eigenvalues ---    0.02875   0.02886   0.02890   0.02896   0.02900
     Eigenvalues ---    0.02902   0.02906   0.02910   0.02914   0.02917
     Eigenvalues ---    0.02921   0.02928   0.02932   0.02944   0.02947
     Eigenvalues ---    0.02950   0.02950   0.02953   0.02954   0.02956
     Eigenvalues ---    0.02962   0.02965   0.02966   0.02970   0.02975
     Eigenvalues ---    0.02989   0.02991   0.02993   0.02999   0.03003
     Eigenvalues ---    0.03016   0.03022   0.03030   0.03047   0.03054
     Eigenvalues ---    0.03059   0.03065   0.03070   0.03079   0.03090
     Eigenvalues ---    0.03102   0.03113   0.03117   0.03131   0.03142
     Eigenvalues ---    0.03163   0.03174   0.03176   0.03185   0.03212
     Eigenvalues ---    0.03224   0.03236   0.03244   0.03277   0.03318
     Eigenvalues ---    0.03398   0.03579   0.03724   0.05045   0.05247
     Eigenvalues ---    0.05434   0.05553   0.05739   0.05858   0.05916
     Eigenvalues ---    0.05989   0.06167   0.06531   0.08507   0.09992
     Eigenvalues ---    0.11773   0.12180   0.13333   0.13890   0.14152
     Eigenvalues ---    0.15158   0.15714   0.15927   0.15951   0.15973
     Eigenvalues ---    0.15988   0.15994   0.15995   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16004
     Eigenvalues ---    0.16006   0.16010   0.16016   0.16022   0.16052
     Eigenvalues ---    0.16054   0.16080   0.16156   0.16188   0.17843
     Eigenvalues ---    0.19570   0.20016   0.20681   0.21851   0.21993
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22007   0.22257
     Eigenvalues ---    0.22359   0.22431   0.22482   0.22554   0.22597
     Eigenvalues ---    0.22602   0.22614   0.22640   0.22664   0.22807
     Eigenvalues ---    0.23350   0.23431   0.23473   0.23799   0.23996
     Eigenvalues ---    0.24340   0.24451   0.24481   0.24495   0.24515
     Eigenvalues ---    0.24526   0.24560   0.24679   0.24792   0.24805
     Eigenvalues ---    0.24914   0.24973   0.24975   0.24978   0.24984
     Eigenvalues ---    0.24986   0.24993   0.25004   0.25041   0.25106
     Eigenvalues ---    0.25164   0.25722   0.25888   0.26512   0.26982
     Eigenvalues ---    0.27164   0.27846   0.28542   0.28745   0.28852
     Eigenvalues ---    0.29215   0.29337   0.29628   0.29896   0.30231
     Eigenvalues ---    0.30500   0.30654   0.30704   0.30844   0.30964
     Eigenvalues ---    0.31121   0.31166   0.31264   0.31402   0.31536
     Eigenvalues ---    0.31574   0.31720   0.32135   0.32233   0.32528
     Eigenvalues ---    0.33134   0.33343   0.33524   0.33964   0.34042
     Eigenvalues ---    0.34198   0.34496   0.34669   0.34937   0.35053
     Eigenvalues ---    0.35154   0.35347   0.35475   0.35599   0.35821
     Eigenvalues ---    0.36390   0.36778   0.37169   0.37309   0.39020
     Eigenvalues ---    0.39923   0.41522   0.41686   0.42070   0.42733
     Eigenvalues ---    0.43090   0.43427   0.43883   0.45276   0.45929
     Eigenvalues ---    0.47081   0.47107   0.47132   0.47245   0.47704
     Eigenvalues ---    0.47898   0.49600   0.49718   0.50114   0.50446
     Eigenvalues ---    0.50583   0.51198   0.51554   0.51757   0.52071
     Eigenvalues ---    0.52177   0.52305   0.52652   0.53105   0.53257
     Eigenvalues ---    0.53390   0.53791   0.54293   0.54348   0.55036
     Eigenvalues ---    0.55321   0.55605   0.55698   0.55728   0.56004
     Eigenvalues ---    0.56179   0.56262   0.56461   0.56596   0.56754
     Eigenvalues ---    0.56930   0.57148   0.57353   0.57862   0.58232
     Eigenvalues ---    0.58287   0.58296   0.58326   0.58505   0.58657
     Eigenvalues ---    0.58902   0.58952   0.59415   0.59704   0.59806
     Eigenvalues ---    0.60046   0.60547   0.60883   0.61375   0.62005
     Eigenvalues ---    0.63251   0.63526   0.64097   0.65015   0.65135
     Eigenvalues ---    0.65890   0.66760   0.67812   0.68860   0.72074
     Eigenvalues ---    0.73128   0.74552   0.77373   0.80550   0.81077
     Eigenvalues ---    0.85362   1.37481   5.36607
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    43   42   41   40   39   38   37   36   35   34
 RFO step:  Lambda=-1.70625289D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.33939    0.19238   -1.46699   -0.54596    0.98758
                  RFO-DIIS coefs:    3.00000   -1.24889   -1.25751    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00229591 RMS(Int)=  0.00000336
 Iteration  2 RMS(Cart)=  0.00000458 RMS(Int)=  0.00000237
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000237
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63956   0.00002   0.00009  -0.00002   0.00007   2.63963
    R2        2.65444  -0.00001   0.00015  -0.00015   0.00000   2.65444
    R3        2.67509   0.00002  -0.00023   0.00018  -0.00005   2.67505
    R4        2.64606  -0.00001  -0.00007  -0.00004  -0.00011   2.64594
    R5        2.04660   0.00000  -0.00007   0.00007   0.00001   2.04661
    R6        2.66488   0.00007  -0.00002   0.00004   0.00002   2.66491
    R7        2.78770   0.00014   0.00024  -0.00001   0.00024   2.78794
    R8        2.64801   0.00004   0.00017  -0.00012   0.00005   2.64806
    R9        2.78045  -0.00006  -0.00047   0.00018  -0.00030   2.78016
   R10        2.62084   0.00001  -0.00002   0.00005   0.00003   2.62087
   R11        2.04806   0.00000   0.00004  -0.00004  -0.00000   2.04806
   R12        2.04881  -0.00000  -0.00003  -0.00000  -0.00003   2.04878
   R13        2.67787  -0.00006  -0.00007  -0.00004  -0.00011   2.67777
   R14        2.64539   0.00000  -0.00004  -0.00003  -0.00008   2.64531
   R15        2.83192   0.00060   0.00099   0.00019   0.00118   2.83310
   R16        2.64737  -0.00013  -0.00010  -0.00014  -0.00024   2.64713
   R17        2.84028   0.00027  -0.00049   0.00084   0.00035   2.84063
   R18        2.68820   0.00065   0.00075   0.00024   0.00099   2.68919
   R19        2.43462  -0.00008   0.00022  -0.00025  -0.00003   2.43459
   R20        2.63755   0.00003   0.00010  -0.00001   0.00009   2.63764
   R21        2.04592   0.00000  -0.00000   0.00002   0.00002   2.04594
   R22        2.64468  -0.00005   0.00003  -0.00015  -0.00012   2.64455
   R23        2.67435   0.00010   0.00012  -0.00001   0.00011   2.67445
   R24        2.62327   0.00008   0.00006   0.00009   0.00016   2.62343
   R25        2.04856   0.00000  -0.00000   0.00000   0.00000   2.04856
   R26        2.04120   0.00001   0.00010  -0.00007   0.00003   2.04123
   R27        2.69764   0.00007  -0.00025   0.00012  -0.00013   2.69751
   R28        3.33499  -0.00001   0.00002  -0.00088  -0.00086   3.33413
   R29        2.67213   0.00004   0.00033  -0.00027   0.00007   2.67219
   R30        2.65363  -0.00004   0.00008  -0.00014  -0.00005   2.65358
   R31        2.61455  -0.00004  -0.00070   0.00032  -0.00039   2.61416
   R32        2.65255  -0.00002   0.00011  -0.00008   0.00003   2.65258
   R33        2.62520   0.00007   0.00004   0.00003   0.00007   2.62527
   R34        2.03733  -0.00000  -0.00017   0.00022   0.00005   2.03738
   R35        2.65140  -0.00010  -0.00003  -0.00004  -0.00007   2.65133
   R36        2.04942   0.00001   0.00002  -0.00002   0.00001   2.04943
   R37        2.62485   0.00003  -0.00006   0.00008   0.00002   2.62486
   R38        2.67928   0.00009   0.00001   0.00005   0.00006   2.67934
   R39        2.04783   0.00001   0.00005  -0.00003   0.00003   2.04786
   R40        2.65164  -0.00000   0.00023  -0.00022   0.00001   2.65165
   R41        2.65178   0.00001   0.00034  -0.00025   0.00010   2.65187
   R42        2.65044  -0.00000   0.00005  -0.00007  -0.00002   2.65041
   R43        2.65002  -0.00006  -0.00003  -0.00011  -0.00014   2.64988
   R44        2.64756  -0.00002   0.00023  -0.00017   0.00006   2.64762
   R45        2.64628  -0.00005   0.00002  -0.00011  -0.00009   2.64619
   R46        2.67824   0.00000   0.00001  -0.00003  -0.00002   2.67823
   R47        2.64060   0.00000   0.00004  -0.00005  -0.00001   2.64059
   R48        2.73712   0.00000   0.00007  -0.00008  -0.00000   2.73712
   R49        2.64475   0.00001   0.00007  -0.00006   0.00001   2.64476
   R50        2.67927   0.00002   0.00005  -0.00003   0.00002   2.67929
   R51        2.64454   0.00001   0.00004  -0.00003   0.00001   2.64455
   R52        2.64142   0.00002   0.00008  -0.00005   0.00003   2.64145
   R53        2.67841   0.00002   0.00002  -0.00002   0.00000   2.67841
   R54        2.64101   0.00001   0.00006  -0.00006   0.00001   2.64101
   R55        2.73658   0.00002   0.00010  -0.00007   0.00002   2.73660
   R56        2.64454   0.00000  -0.00000  -0.00001  -0.00001   2.64453
   R57        2.67870   0.00000  -0.00006   0.00003  -0.00002   2.67868
   R58        2.64456   0.00001   0.00002  -0.00003  -0.00001   2.64455
   R59        2.64124  -0.00001   0.00001  -0.00002  -0.00001   2.64123
   R60        2.67962   0.00001  -0.00000  -0.00004  -0.00004   2.67958
   R61        2.64064   0.00000   0.00002  -0.00004  -0.00002   2.64063
   R62        2.73658   0.00000   0.00006  -0.00006  -0.00000   2.73658
   R63        2.64503   0.00000   0.00002  -0.00001   0.00001   2.64505
   R64        2.67984   0.00002   0.00003  -0.00000   0.00003   2.67987
   R65        2.64482   0.00000   0.00003  -0.00004  -0.00001   2.64482
   R66        2.64102   0.00000   0.00004  -0.00003   0.00000   2.64103
   R67        2.62990   0.00000   0.00006  -0.00008  -0.00002   2.62988
   R68        2.05258   0.00000   0.00001  -0.00001   0.00000   2.05258
   R69        2.65480   0.00001   0.00006  -0.00004   0.00003   2.65482
   R70        2.05139  -0.00000   0.00000  -0.00001  -0.00001   2.05138
   R71        2.63357  -0.00001   0.00002  -0.00004  -0.00002   2.63355
   R72        2.05241   0.00000  -0.00003   0.00004   0.00000   2.05241
   R73        2.04888   0.00000   0.00005  -0.00005  -0.00000   2.04888
   R74        2.63282   0.00001   0.00003  -0.00003   0.00001   2.63283
   R75        2.04902  -0.00001  -0.00004   0.00002  -0.00002   2.04899
   R76        2.65521   0.00001   0.00005  -0.00005   0.00001   2.65522
   R77        2.05213   0.00000   0.00000  -0.00000  -0.00000   2.05213
   R78        2.62962   0.00001   0.00004  -0.00005  -0.00000   2.62962
   R79        2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05144
   R80        2.05263   0.00000   0.00001  -0.00001  -0.00000   2.05263
   R81        2.62975   0.00001   0.00004  -0.00004  -0.00000   2.62975
   R82        2.05266  -0.00000  -0.00007   0.00006  -0.00000   2.05266
   R83        2.65443  -0.00000  -0.00001  -0.00001  -0.00002   2.65441
   R84        2.05138   0.00000  -0.00001   0.00000  -0.00000   2.05138
   R85        2.63272   0.00002   0.00010  -0.00008   0.00002   2.63273
   R86        2.05208   0.00000   0.00000  -0.00001  -0.00001   2.05208
   R87        2.04831  -0.00000  -0.00003  -0.00001  -0.00004   2.04827
   R88        2.63286   0.00000   0.00004  -0.00004   0.00000   2.63286
   R89        2.04847   0.00000   0.00000  -0.00002  -0.00002   2.04845
   R90        2.65471   0.00001   0.00001  -0.00001   0.00000   2.65471
   R91        2.05212   0.00000   0.00001  -0.00001  -0.00000   2.05212
   R92        2.62954   0.00000   0.00004  -0.00005  -0.00002   2.62953
   R93        2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05143
   R94        2.05264   0.00000   0.00000  -0.00000  -0.00000   2.05264
   R95        2.62987   0.00001   0.00005  -0.00005  -0.00000   2.62987
   R96        2.05272   0.00000  -0.00001   0.00000  -0.00000   2.05272
   R97        2.65526   0.00001   0.00003  -0.00002   0.00002   2.65527
   R98        2.05146   0.00000  -0.00000  -0.00000  -0.00000   2.05146
   R99        2.63280  -0.00000   0.00001  -0.00002  -0.00001   2.63279
   R100       2.05231   0.00000  -0.00000   0.00001   0.00000   2.05231
   R101       2.04920   0.00000   0.00003  -0.00003  -0.00001   2.04919
   R102       2.63264  -0.00000   0.00001  -0.00002  -0.00001   2.63264
   R103       2.04897   0.00000   0.00002  -0.00002   0.00000   2.04897
   R104       2.65540   0.00002   0.00006  -0.00005   0.00002   2.65542
   R105       2.05222   0.00000   0.00001  -0.00000   0.00000   2.05222
   R106       2.62959   0.00001   0.00002  -0.00002  -0.00000   2.62958
   R107       2.05146  -0.00000  -0.00000   0.00000   0.00000   2.05146
   R108       2.05273   0.00000  -0.00001   0.00001   0.00000   2.05273
   R109       2.78615   0.00012   0.00021  -0.00003   0.00018   2.78633
   R110       3.02622   0.00039  -0.00020   0.00023   0.00003   3.02626
   R111       3.04079   0.00000  -0.00051   0.00079   0.00028   3.04107
   R112       2.77045   0.00082   0.00193  -0.00060   0.00133   2.77177
   R113       2.75898   0.00024   0.00062   0.00025   0.00087   2.75985
   R114       2.86389  -0.00013  -0.00046  -0.00002  -0.00048   2.86342
   R115       2.06245  -0.00002  -0.00027   0.00029   0.00002   2.06247
   R116       2.06672   0.00000  -0.00012   0.00010  -0.00003   2.06670
   R117       2.06934   0.00001   0.00009  -0.00005   0.00004   2.06938
   R118       2.06661  -0.00001  -0.00008   0.00007  -0.00001   2.06660
   R119       2.06427   0.00003  -0.00001  -0.00013  -0.00014   2.06412
   R120       2.86915  -0.00002   0.00007  -0.00020  -0.00012   2.86902
   R121       2.06476  -0.00001  -0.00006   0.00004  -0.00002   2.06474
   R122       2.06859  -0.00004  -0.00008  -0.00003  -0.00011   2.06849
   R123       2.06946  -0.00000   0.00003  -0.00002   0.00001   2.06947
   R124       2.06404  -0.00000  -0.00011   0.00008  -0.00003   2.06401
   R125       2.06702  -0.00002  -0.00010   0.00006  -0.00004   2.06698
   R126       5.60390  -0.00018  -0.03119   0.04327   0.01209   5.61598
    A1        2.08888   0.00002  -0.00002  -0.00002  -0.00005   2.08883
    A2        2.09443  -0.00001  -0.00013   0.00012  -0.00001   2.09442
    A3        2.09985  -0.00001   0.00015  -0.00009   0.00006   2.09990
    A4        2.11050   0.00001  -0.00002   0.00003   0.00001   2.11051
    A5        2.06969   0.00000   0.00009  -0.00008   0.00001   2.06970
    A6        2.10275  -0.00001  -0.00008   0.00005  -0.00003   2.10272
    A7        2.07582  -0.00001   0.00009   0.00000   0.00010   2.07591
    A8        2.14190  -0.00005   0.00004  -0.00014  -0.00010   2.14180
    A9        2.06179   0.00006  -0.00022   0.00019  -0.00003   2.06176
   A10        2.09071  -0.00001  -0.00006  -0.00006  -0.00012   2.09059
   A11        2.09524   0.00003  -0.00002   0.00009   0.00006   2.09530
   A12        2.09684  -0.00002   0.00009  -0.00003   0.00006   2.09690
   A13        2.10799   0.00001   0.00002   0.00004   0.00005   2.10805
   A14        2.06728  -0.00001   0.00002  -0.00005  -0.00003   2.06725
   A15        2.10791   0.00000  -0.00003   0.00001  -0.00003   2.10788
   A16        2.09020  -0.00001  -0.00001   0.00001   0.00000   2.09020
   A17        2.08869   0.00000   0.00006   0.00001   0.00007   2.08875
   A18        2.10430   0.00000  -0.00005  -0.00002  -0.00007   2.10423
   A19        2.09606   0.00003  -0.00011   0.00007  -0.00005   2.09601
   A20        2.10176  -0.00001   0.00025  -0.00021   0.00003   2.10180
   A21        2.07938  -0.00001  -0.00021   0.00019  -0.00002   2.07936
   A22        2.07065  -0.00011  -0.00054   0.00015  -0.00038   2.07026
   A23        2.06935   0.00006   0.00037  -0.00012   0.00025   2.06959
   A24        2.13856   0.00006   0.00023   0.00001   0.00023   2.13880
   A25        1.94415  -0.00007  -0.00106   0.00038  -0.00069   1.94347
   A26        2.05673  -0.00010  -0.00075  -0.00012  -0.00088   2.05584
   A27        2.01778  -0.00004   0.00029  -0.00065  -0.00036   2.01742
   A28        2.02763  -0.00005  -0.00006  -0.00019  -0.00025   2.02738
   A29        2.08320   0.00008   0.00032  -0.00010   0.00022   2.08342
   A30        2.16985  -0.00003  -0.00011   0.00014   0.00004   2.16990
   A31        2.11897  -0.00001  -0.00014   0.00001  -0.00013   2.11884
   A32        2.09572   0.00002   0.00028  -0.00010   0.00018   2.09590
   A33        2.06794  -0.00001  -0.00016   0.00010  -0.00005   2.06789
   A34        2.08004  -0.00000   0.00019  -0.00010   0.00009   2.08013
   A35        2.09927  -0.00002  -0.00042   0.00030  -0.00012   2.09915
   A36        2.10310   0.00002   0.00022  -0.00018   0.00004   2.10314
   A37        2.09165  -0.00001  -0.00008   0.00011   0.00003   2.09168
   A38        2.09149  -0.00000   0.00001   0.00002   0.00002   2.09152
   A39        2.09963   0.00001   0.00010  -0.00014  -0.00004   2.09959
   A40        2.12192  -0.00002  -0.00027   0.00007  -0.00020   2.12172
   A41        2.09989  -0.00002  -0.00017   0.00025   0.00008   2.09997
   A42        2.05988   0.00004   0.00047  -0.00033   0.00014   2.06001
   A43        2.08181  -0.00018  -0.00055   0.00045  -0.00008   2.08173
   A44        2.05700   0.00045  -0.00069   0.00055  -0.00015   2.05685
   A45        2.08229  -0.00021   0.00120  -0.00076   0.00042   2.08271
   A46        2.07614   0.00009   0.00001   0.00008   0.00011   2.07625
   A47        2.15037  -0.00010  -0.00016  -0.00019  -0.00036   2.15001
   A48        2.05590   0.00002   0.00010   0.00013   0.00023   2.05613
   A49        2.14122   0.00007   0.00015  -0.00012   0.00004   2.14126
   A50        2.10469  -0.00005  -0.00023  -0.00005  -0.00027   2.10442
   A51        2.03707  -0.00002   0.00010   0.00013   0.00023   2.03730
   A52        2.07793   0.00008   0.00005   0.00012   0.00019   2.07811
   A53        2.11207   0.00002   0.00002  -0.00007  -0.00005   2.11202
   A54        2.10632  -0.00002   0.00025  -0.00043  -0.00019   2.10613
   A55        2.06479   0.00000  -0.00027   0.00051   0.00024   2.06502
   A56        2.11451  -0.00003  -0.00013   0.00001  -0.00012   2.11439
   A57        2.08291   0.00004   0.00031  -0.00015   0.00015   2.08306
   A58        2.08576  -0.00001  -0.00018   0.00014  -0.00003   2.08573
   A59        2.06712   0.00003   0.00021  -0.00008   0.00012   2.06724
   A60        2.10524   0.00000  -0.00002   0.00004   0.00002   2.10525
   A61        2.11083  -0.00003  -0.00019   0.00005  -0.00014   2.11069
   A62        2.11170   0.00002   0.00004   0.00004   0.00008   2.11177
   A63        2.05145   0.00001   0.00009  -0.00007   0.00002   2.05147
   A64        2.12001  -0.00003  -0.00012   0.00002  -0.00010   2.11991
   A65        2.19607  -0.00001   0.00007  -0.00012  -0.00005   2.19602
   A66        2.19700   0.00000  -0.00005   0.00012   0.00007   2.19707
   A67        1.89012   0.00001  -0.00002  -0.00000  -0.00002   1.89009
   A68        2.19112   0.00000   0.00013  -0.00020  -0.00007   2.19105
   A69        2.20066  -0.00001  -0.00014   0.00019   0.00005   2.20071
   A70        1.89135   0.00001   0.00003  -0.00000   0.00003   1.89137
   A71        2.19621  -0.00001   0.00003  -0.00007  -0.00004   2.19617
   A72        2.19516   0.00000   0.00001   0.00006   0.00006   2.19522
   A73        1.89171   0.00001  -0.00002   0.00001  -0.00001   1.89169
   A74        1.90049   0.00000  -0.00003   0.00003  -0.00000   1.90049
   A75        2.25874  -0.00001  -0.00011   0.00007  -0.00004   2.25870
   A76        2.12332   0.00001   0.00013  -0.00008   0.00004   2.12336
   A77        1.86636  -0.00001   0.00002  -0.00004  -0.00002   1.86634
   A78        2.08613  -0.00000  -0.00008   0.00006  -0.00002   2.08611
   A79        2.33063   0.00001   0.00006  -0.00002   0.00004   2.33067
   A80        1.86654  -0.00001  -0.00003   0.00001  -0.00002   1.86652
   A81        2.32996   0.00001   0.00006  -0.00004   0.00002   2.32998
   A82        2.08659  -0.00000  -0.00002   0.00002   0.00000   2.08659
   A83        1.90004   0.00001   0.00001   0.00000   0.00001   1.90005
   A84        2.26169  -0.00001  -0.00003   0.00003  -0.00001   2.26168
   A85        2.12064  -0.00000   0.00002  -0.00003  -0.00001   2.12064
   A86        1.90069  -0.00000  -0.00006   0.00008   0.00002   1.90071
   A87        2.26091   0.00001   0.00011  -0.00006   0.00005   2.26096
   A88        2.12082  -0.00000  -0.00008   0.00001  -0.00007   2.12076
   A89        1.86675  -0.00000   0.00008  -0.00008  -0.00000   1.86674
   A90        2.08732   0.00000   0.00007  -0.00001   0.00006   2.08738
   A91        2.32900   0.00000  -0.00015   0.00010  -0.00005   2.32895
   A92        1.86660  -0.00000   0.00006  -0.00004   0.00001   1.86661
   A93        2.32901   0.00001  -0.00009   0.00008  -0.00001   2.32900
   A94        2.08753  -0.00001   0.00003  -0.00003  -0.00000   2.08753
   A95        1.90062  -0.00000  -0.00005   0.00004  -0.00001   1.90061
   A96        2.26305  -0.00001   0.00006  -0.00005   0.00001   2.26305
   A97        2.11895   0.00001  -0.00001   0.00002   0.00001   2.11895
   A98        1.90081   0.00001  -0.00003   0.00003   0.00000   1.90081
   A99        2.25965  -0.00002  -0.00004  -0.00001  -0.00005   2.25960
   A100       2.12235   0.00001   0.00007  -0.00002   0.00005   2.12240
   A101       1.86566  -0.00001   0.00002  -0.00002   0.00000   1.86566
   A102       2.08593  -0.00001  -0.00003  -0.00000  -0.00003   2.08590
   A103       2.33155   0.00002   0.00001   0.00002   0.00003   2.33158
   A104       1.86535  -0.00001   0.00002  -0.00004  -0.00002   1.86533
   A105       2.33206   0.00000  -0.00008   0.00007  -0.00001   2.33204
   A106       2.08572   0.00000   0.00006  -0.00003   0.00003   2.08575
   A107       1.90126   0.00001   0.00001   0.00001   0.00002   1.90128
   A108       2.25944  -0.00000   0.00003  -0.00001   0.00002   2.25945
   A109       2.12204  -0.00000  -0.00004   0.00001  -0.00003   2.12201
   A110       2.08027   0.00000   0.00001  -0.00001   0.00001   2.08028
   A111       2.09991  -0.00001  -0.00007   0.00004  -0.00003   2.09988
   A112       2.10299   0.00000   0.00006  -0.00003   0.00003   2.10301
   A113       2.10387  -0.00000  -0.00001   0.00000  -0.00001   2.10385
   A114       2.09181   0.00000   0.00006  -0.00003   0.00003   2.09184
   A115       2.08748  -0.00000  -0.00004   0.00003  -0.00002   2.08746
   A116       2.11927   0.00001   0.00002   0.00000   0.00003   2.11929
   A117       2.08583  -0.00000   0.00001  -0.00003  -0.00002   2.08581
   A118       2.07805  -0.00000  -0.00004   0.00003  -0.00001   2.07805
   A119       2.05542  -0.00000  -0.00003   0.00001  -0.00002   2.05540
   A120       2.11890  -0.00000  -0.00004   0.00004  -0.00001   2.11890
   A121       2.10876   0.00001   0.00007  -0.00005   0.00003   2.10879
   A122       2.05293  -0.00000  -0.00008   0.00005  -0.00003   2.05290
   A123       2.11911   0.00000   0.00003  -0.00002   0.00001   2.11912
   A124       2.11109   0.00000   0.00004  -0.00003   0.00002   2.11111
   A125       2.12028   0.00000   0.00000  -0.00000   0.00000   2.12028
   A126       2.07755   0.00000   0.00005  -0.00005   0.00000   2.07756
   A127       2.08534  -0.00000  -0.00005   0.00005  -0.00000   2.08534
   A128       2.10450  -0.00000   0.00003  -0.00002   0.00001   2.10451
   A129       2.08711   0.00000  -0.00001  -0.00000  -0.00002   2.08709
   A130       2.09156  -0.00000  -0.00002   0.00003   0.00001   2.09157
   A131       2.07902   0.00000  -0.00000  -0.00000  -0.00000   2.07901
   A132       2.10060  -0.00000  -0.00004   0.00003  -0.00001   2.10060
   A133       2.10355   0.00000   0.00005  -0.00003   0.00002   2.10356
   A134       2.08026  -0.00000  -0.00000   0.00000  -0.00000   2.08025
   A135       2.09961   0.00000  -0.00004   0.00005   0.00002   2.09963
   A136       2.10331  -0.00000   0.00004  -0.00006  -0.00001   2.10330
   A137       2.10345   0.00000  -0.00000   0.00002   0.00001   2.10346
   A138       2.09213  -0.00000   0.00004  -0.00005  -0.00001   2.09212
   A139       2.08761  -0.00000  -0.00004   0.00004  -0.00000   2.08760
   A140       2.11902  -0.00000  -0.00002   0.00000  -0.00002   2.11900
   A141       2.08805   0.00000   0.00011  -0.00008   0.00003   2.08808
   A142       2.07611   0.00000  -0.00009   0.00008  -0.00001   2.07610
   A143       2.05692  -0.00001   0.00001  -0.00000   0.00001   2.05692
   A144       2.12031   0.00000   0.00012  -0.00010   0.00002   2.12033
   A145       2.10594   0.00000  -0.00013   0.00010  -0.00003   2.10591
   A146       2.05466  -0.00000   0.00001  -0.00000   0.00001   2.05467
   A147       2.11956  -0.00000   0.00004  -0.00002   0.00003   2.11959
   A148       2.10892   0.00000  -0.00006   0.00002  -0.00004   2.10887
   A149       2.12011   0.00000   0.00002   0.00001   0.00003   2.12013
   A150       2.07751  -0.00001  -0.00014   0.00011  -0.00003   2.07748
   A151       2.08556   0.00000   0.00012  -0.00012   0.00000   2.08556
   A152       2.10374   0.00000  -0.00002  -0.00001  -0.00003   2.10371
   A153       2.08747  -0.00001  -0.00003   0.00002  -0.00001   2.08746
   A154       2.09195   0.00000   0.00006  -0.00001   0.00005   2.09199
   A155       2.07945   0.00000  -0.00001   0.00000  -0.00001   2.07945
   A156       2.10016  -0.00000  -0.00005   0.00002  -0.00003   2.10013
   A157       2.10355   0.00000   0.00006  -0.00003   0.00004   2.10359
   A158       2.08002  -0.00000  -0.00003   0.00002  -0.00001   2.08001
   A159       2.10024  -0.00000  -0.00009   0.00007  -0.00001   2.10022
   A160       2.10292   0.00001   0.00011  -0.00009   0.00002   2.10294
   A161       2.10431  -0.00000  -0.00003   0.00002  -0.00002   2.10430
   A162       2.09174   0.00000   0.00002   0.00000   0.00002   2.09176
   A163       2.08712   0.00000   0.00001  -0.00002  -0.00001   2.08712
   A164       2.11949   0.00001   0.00005  -0.00003   0.00002   2.11952
   A165       2.08518  -0.00000  -0.00003   0.00001  -0.00002   2.08516
   A166       2.07850  -0.00000  -0.00002   0.00002  -0.00000   2.07850
   A167       2.05463  -0.00000  -0.00001   0.00001   0.00001   2.05463
   A168       2.11753  -0.00000   0.00002  -0.00003  -0.00001   2.11752
   A169       2.11099   0.00000  -0.00001   0.00002   0.00001   2.11100
   A170       2.05414  -0.00000  -0.00006   0.00004  -0.00002   2.05412
   A171       2.11801  -0.00001   0.00002  -0.00005  -0.00003   2.11798
   A172       2.11103   0.00001   0.00004   0.00000   0.00005   2.11107
   A173       2.11989   0.00000   0.00002  -0.00003  -0.00000   2.11989
   A174       2.07807  -0.00000  -0.00006   0.00006   0.00001   2.07808
   A175       2.08522   0.00000   0.00003  -0.00003  -0.00000   2.08522
   A176       2.10432  -0.00000  -0.00001   0.00001  -0.00000   2.10432
   A177       2.08707   0.00000   0.00001  -0.00001  -0.00000   2.08707
   A178       2.09179   0.00000   0.00000  -0.00000   0.00000   2.09179
   A179       2.07961   0.00000   0.00001   0.00000   0.00001   2.07962
   A180       2.10036  -0.00000  -0.00006   0.00006  -0.00001   2.10035
   A181       2.10321   0.00000   0.00006  -0.00006  -0.00000   2.10320
   A182       2.01489   0.00008  -0.00100   0.00019  -0.00081   2.01408
   A183       1.84294   0.00088   0.00093   0.00049   0.00142   1.84436
   A184       1.71712  -0.00052  -0.00019   0.00012  -0.00007   1.71705
   A185       2.02602  -0.00002  -0.00101   0.00061  -0.00040   2.02561
   A186       2.04027   0.00005   0.00173  -0.00129   0.00044   2.04072
   A187       1.78186  -0.00053  -0.00027  -0.00013  -0.00040   1.78146
   A188       2.12721   0.00305  -0.00126   0.00081  -0.00044   2.12677
   A189       2.08055  -0.00007   0.00124  -0.00224  -0.00100   2.07955
   A190       1.90840  -0.00003  -0.00116   0.00165   0.00050   1.90890
   A191       1.90472   0.00103  -0.00191   0.00036  -0.00155   1.90317
   A192       1.83912  -0.00055   0.00065  -0.00151  -0.00086   1.83825
   A193       1.95483  -0.00057   0.00143   0.00065   0.00208   1.95692
   A194       1.95064   0.00027   0.00063  -0.00068  -0.00005   1.95059
   A195       1.90217  -0.00010   0.00022  -0.00058  -0.00037   1.90181
   A196       1.90730  -0.00002  -0.00032   0.00008  -0.00024   1.90706
   A197       1.93798   0.00002   0.00051  -0.00058  -0.00007   1.93790
   A198       1.93143   0.00003   0.00021   0.00029   0.00051   1.93194
   A199       1.89143   0.00000  -0.00005  -0.00003  -0.00008   1.89135
   A200       1.88966  -0.00001  -0.00026   0.00012  -0.00014   1.88952
   A201       1.90497  -0.00002  -0.00012   0.00013   0.00001   1.90498
   A202       1.94431  -0.00004   0.00066  -0.00081  -0.00014   1.94416
   A203       1.82355  -0.00000  -0.00074   0.00062  -0.00013   1.82343
   A204       1.90552   0.00001  -0.00091   0.00043  -0.00048   1.90504
   A205       1.94843   0.00003   0.00007   0.00014   0.00021   1.94864
   A206       1.95134  -0.00001   0.00031  -0.00010   0.00021   1.95155
   A207       1.88542   0.00002   0.00052  -0.00021   0.00031   1.88573
   A208       1.91177   0.00001  -0.00041   0.00037  -0.00004   1.91173
   A209       1.93221  -0.00001   0.00016   0.00008   0.00024   1.93245
   A210       1.93102  -0.00001  -0.00001  -0.00016  -0.00017   1.93085
   A211       1.89885  -0.00000   0.00015  -0.00003   0.00012   1.89897
   A212       1.88802   0.00000  -0.00024   0.00019  -0.00005   1.88797
   A213       1.90112   0.00001   0.00035  -0.00044  -0.00009   1.90103
   A214       2.08635   0.00085   0.01871  -0.01999  -0.00128   2.08507
    D1       -0.00133   0.00000  -0.00035   0.00024  -0.00012  -0.00145
    D2        3.11656   0.00001  -0.00070   0.00010  -0.00060   3.11596
    D3        3.13309  -0.00001  -0.00076   0.00057  -0.00018   3.13290
    D4       -0.03220  -0.00000  -0.00111   0.00043  -0.00067  -0.03287
    D5       -0.03746  -0.00001   0.00002  -0.00004  -0.00001  -0.03747
    D6        3.10799  -0.00001  -0.00026   0.00010  -0.00016   3.10783
    D7        3.11133   0.00000   0.00043  -0.00037   0.00006   3.11139
    D8       -0.02641   0.00000   0.00014  -0.00024  -0.00009  -0.02650
    D9        2.26287  -0.00000   0.00425  -0.00364   0.00061   2.26348
   D10       -0.87706   0.00001   0.00412  -0.00346   0.00066  -0.87640
   D11       -0.88594  -0.00001   0.00384  -0.00330   0.00054  -0.88540
   D12        2.25731  -0.00000   0.00371  -0.00312   0.00059   2.25790
   D13        0.05517   0.00001   0.00033  -0.00018   0.00015   0.05532
   D14       -2.99251   0.00004   0.00137  -0.00085   0.00053  -2.99199
   D15       -3.06228   0.00001   0.00068  -0.00004   0.00064  -3.06164
   D16        0.17322   0.00004   0.00172  -0.00070   0.00102   0.17424
   D17       -0.07064  -0.00002   0.00003  -0.00008  -0.00005  -0.07068
   D18        3.04062   0.00001   0.00031  -0.00024   0.00007   3.04069
   D19        2.98138  -0.00005  -0.00095   0.00054  -0.00041   2.98096
   D20       -0.19055  -0.00003  -0.00067   0.00038  -0.00029  -0.19085
   D21       -2.91709  -0.00001  -0.00156   0.00118  -0.00039  -2.91747
   D22        0.34285   0.00000  -0.00085   0.00078  -0.00007   0.34278
   D23        0.31770   0.00003  -0.00054   0.00052  -0.00002   0.31769
   D24       -2.70555   0.00004   0.00017   0.00012   0.00030  -2.70525
   D25        0.03293   0.00001  -0.00036   0.00028  -0.00008   0.03285
   D26       -3.11191   0.00001  -0.00017   0.00020   0.00003  -3.11188
   D27       -3.07830  -0.00001  -0.00064   0.00044  -0.00020  -3.07850
   D28        0.06004  -0.00001  -0.00046   0.00037  -0.00009   0.05996
   D29       -0.35656  -0.00008  -0.00062  -0.00010  -0.00072  -0.35728
   D30        2.85772  -0.00012  -0.00299   0.00204  -0.00096   2.85677
   D31        2.75459  -0.00006  -0.00034  -0.00027  -0.00061   2.75398
   D32       -0.31431  -0.00009  -0.00271   0.00187  -0.00084  -0.31516
   D33        0.02157  -0.00000   0.00033  -0.00022   0.00011   0.02168
   D34       -3.12391  -0.00000   0.00062  -0.00036   0.00026  -3.12365
   D35       -3.11670  -0.00000   0.00014  -0.00015  -0.00000  -3.11670
   D36        0.02100   0.00000   0.00043  -0.00028   0.00015   0.02115
   D37        0.12072   0.00006   0.00273  -0.00148   0.00125   0.12197
   D38       -2.92026   0.00003   0.00212  -0.00191   0.00021  -2.92005
   D39       -3.13770   0.00005   0.00206  -0.00112   0.00094  -3.13676
   D40        0.10451   0.00001   0.00145  -0.00155  -0.00010   0.10440
   D41        2.97608  -0.00001  -0.00160   0.00140  -0.00020   2.97588
   D42       -0.12919   0.00000  -0.00110   0.00102  -0.00008  -0.12927
   D43       -0.04829  -0.00000  -0.00090   0.00101   0.00011  -0.04818
   D44        3.12962   0.00001  -0.00040   0.00064   0.00024   3.12986
   D45       -0.63823  -0.00012  -0.00355   0.00157  -0.00198  -0.64020
   D46       -3.03013   0.00014  -0.00188   0.00231   0.00042  -3.02971
   D47        2.39854  -0.00008  -0.00291   0.00201  -0.00089   2.39765
   D48        0.00663   0.00017  -0.00124   0.00275   0.00150   0.00814
   D49       -0.08372  -0.00002  -0.00078   0.00093   0.00015  -0.08358
   D50        2.99780   0.00001  -0.00029   0.00070   0.00042   2.99822
   D51       -3.12056  -0.00004  -0.00137   0.00047  -0.00090  -3.12146
   D52       -0.03904  -0.00002  -0.00087   0.00025  -0.00063  -0.03967
   D53        0.75089   0.00013   0.00253  -0.00082   0.00170   0.75259
   D54       -2.46742   0.00017   0.00505  -0.00309   0.00196  -2.46546
   D55       -3.12245  -0.00015   0.00043  -0.00131  -0.00088  -3.12333
   D56       -0.05758  -0.00011   0.00296  -0.00358  -0.00062  -0.05820
   D57        2.42012  -0.00028   0.00060  -0.00167  -0.00107   2.41905
   D58       -1.09496  -0.00016   0.00072  -0.00117  -0.00045  -1.09541
   D59        0.05896   0.00001   0.00292  -0.00134   0.00158   0.06054
   D60        2.82706   0.00012   0.00304  -0.00084   0.00220   2.82926
   D61        3.09622   0.00014  -0.00248   0.00203  -0.00044   3.09578
   D62        0.03363   0.00011  -0.00506   0.00437  -0.00069   0.03294
   D63       -0.03199  -0.00001  -0.00032   0.00019  -0.00013  -0.03212
   D64       -3.13146  -0.00000   0.00006  -0.00022  -0.00016  -3.13161
   D65        3.07385  -0.00002  -0.00081   0.00055  -0.00025   3.07360
   D66       -0.02562  -0.00001  -0.00042   0.00014  -0.00028  -0.02590
   D67        0.05459   0.00000   0.00101  -0.00085   0.00017   0.05476
   D68       -3.05609  -0.00001   0.00029  -0.00053  -0.00024  -3.05633
   D69       -3.12921  -0.00000   0.00061  -0.00042   0.00019  -3.12903
   D70        0.04328  -0.00001  -0.00011  -0.00011  -0.00022   0.04307
   D71       -2.24006   0.00003  -0.00108   0.00164   0.00056  -2.23950
   D72        0.88907   0.00002   0.00034   0.00049   0.00083   0.88991
   D73        0.94422   0.00003  -0.00069   0.00122   0.00053   0.94475
   D74       -2.20984   0.00002   0.00074   0.00007   0.00081  -2.20903
   D75        0.00380   0.00000  -0.00046   0.00028  -0.00018   0.00362
   D76       -3.07904  -0.00002  -0.00093   0.00048  -0.00045  -3.07949
   D77        3.11435   0.00001   0.00025  -0.00003   0.00022   3.11457
   D78        0.03150  -0.00001  -0.00021   0.00017  -0.00004   0.03146
   D79       -0.04243   0.00008  -0.00634   0.00503  -0.00131  -0.04374
   D80       -3.14109   0.00008  -0.00497   0.00438  -0.00059   3.14150
   D81       -2.80509  -0.00018  -0.00605   0.00424  -0.00181  -2.80690
   D82        0.37943  -0.00018  -0.00468   0.00359  -0.00109   0.37834
   D83        0.15766  -0.00002  -0.00153   0.00026  -0.00127   0.15639
   D84       -2.10539  -0.00081  -0.00021  -0.00111  -0.00132  -2.10671
   D85        2.34295  -0.00027  -0.00007  -0.00113  -0.00120   2.34176
   D86        2.92565   0.00011  -0.00179   0.00103  -0.00076   2.92489
   D87        0.66261  -0.00068  -0.00047  -0.00034  -0.00081   0.66179
   D88       -1.17223  -0.00014  -0.00033  -0.00036  -0.00069  -1.17292
   D89        0.01695  -0.00009   0.00449  -0.00454  -0.00005   0.01690
   D90       -3.10209  -0.00003   0.00257  -0.00239   0.00018  -3.10192
   D91        3.11794  -0.00009   0.00319  -0.00392  -0.00074   3.11720
   D92       -0.00110  -0.00004   0.00126  -0.00178  -0.00052  -0.00162
   D93        3.12170   0.00004  -0.00234   0.00239   0.00005   3.12176
   D94       -0.02551   0.00003  -0.00191   0.00221   0.00030  -0.02521
   D95        0.02257   0.00004  -0.00098   0.00175   0.00076   0.02334
   D96       -3.12464   0.00003  -0.00056   0.00157   0.00101  -3.12363
   D97       -0.01246   0.00000   0.00128  -0.00022   0.00105  -0.01141
   D98        3.10740  -0.00006   0.00313  -0.00229   0.00083   3.10823
   D99       -0.01919   0.00001  -0.00050   0.00048  -0.00001  -0.01920
   D100       3.11453  -0.00001  -0.00060   0.00034  -0.00026   3.11427
   D101      -3.13953   0.00007  -0.00231   0.00251   0.00020  -3.13934
   D102      -0.00582   0.00004  -0.00241   0.00237  -0.00005  -0.00587
   D103      -0.02445  -0.00002  -0.00007  -0.00042  -0.00048  -0.02494
   D104       3.11416  -0.00002  -0.00056  -0.00016  -0.00072   3.11343
   D105       3.12263  -0.00000  -0.00048  -0.00024  -0.00072   3.12191
   D106      -0.02195  -0.00001  -0.00098   0.00002  -0.00096  -0.02291
   D107       0.00390  -0.00001   0.00085  -0.00092  -0.00006   0.00384
   D108      -3.13846   0.00001   0.00074  -0.00037   0.00037  -3.13810
   D109      -3.13470  -0.00000   0.00135  -0.00118   0.00017  -3.13453
   D110       0.00612   0.00002   0.00124  -0.00063   0.00060   0.00672
   D111       0.01769   0.00001  -0.00057   0.00088   0.00031   0.01801
   D112      -3.11571   0.00003  -0.00046   0.00102   0.00056  -3.11514
   D113      -3.12312  -0.00001  -0.00045   0.00033  -0.00012  -3.12325
   D114       0.02666   0.00002  -0.00035   0.00048   0.00013   0.02679
   D115      -2.17650   0.00001  -0.00189   0.00203   0.00014  -2.17636
   D116       0.94714   0.00003  -0.00184   0.00241   0.00057   0.94772
   D117       0.96430   0.00003  -0.00201   0.00259   0.00058   0.96488
   D118      -2.19524   0.00005  -0.00195   0.00296   0.00101  -2.19423
   D119       3.14103   0.00000  -0.00022   0.00028   0.00006   3.14109
   D120      -0.04260   0.00001  -0.00104   0.00114   0.00010  -0.04250
   D121      -0.00198  -0.00000  -0.00011   0.00013   0.00002  -0.00197
   D122       3.09758   0.00000  -0.00093   0.00098   0.00005   3.09763
   D123      -3.14000  -0.00000   0.00017  -0.00022  -0.00005  -3.14005
   D124      -0.03490   0.00000  -0.00005   0.00014   0.00008  -0.03482
   D125       0.00301   0.00000   0.00006  -0.00006  -0.00000   0.00301
   D126       3.10811   0.00001  -0.00016   0.00029   0.00013   3.10824
   D127       3.12847  -0.00000   0.00104  -0.00088   0.00017   3.12864
   D128       0.02520  -0.00001   0.00132  -0.00112   0.00020   0.02539
   D129      -0.00251   0.00000  -0.00017   0.00010  -0.00007  -0.00258
   D130      -3.10579   0.00000   0.00011  -0.00015  -0.00003  -3.10582
   D131      -3.12974   0.00000  -0.00102   0.00086  -0.00015  -3.12989
   D132       0.05545   0.00001  -0.00088   0.00076  -0.00012   0.05533
   D133       0.00117  -0.00000   0.00021  -0.00012   0.00008   0.00125
   D134      -3.09683   0.00000   0.00034  -0.00023   0.00012  -3.09671
   D135       3.12492   0.00002   0.00004   0.00029   0.00033   3.12525
   D136       0.01286   0.00001   0.00019  -0.00004   0.00015   0.01301
   D137      -0.00133  -0.00000  -0.00001  -0.00003  -0.00005  -0.00137
   D138      -3.11338  -0.00001   0.00014  -0.00036  -0.00022  -3.11360
   D139      -3.12597  -0.00002  -0.00006  -0.00031  -0.00037  -3.12634
   D140       0.04805  -0.00002   0.00030  -0.00082  -0.00053   0.04752
   D141       0.00028   0.00000  -0.00001   0.00001  -0.00000   0.00028
   D142      -3.10888  -0.00000   0.00035  -0.00050  -0.00015  -3.10904
   D143       0.00283  -0.00000   0.00007  -0.00004   0.00003   0.00286
   D144      -3.12785  -0.00000   0.00022  -0.00014   0.00008  -3.12777
   D145       3.10965  -0.00000  -0.00020   0.00019  -0.00001   3.10964
   D146      -0.02103  -0.00000  -0.00004   0.00009   0.00005  -0.02098
   D147       3.11950   0.00000  -0.00029   0.00020  -0.00009   3.11941
   D148      -0.01128  -0.00000  -0.00036   0.00018  -0.00018  -0.01146
   D149       0.02050  -0.00000   0.00003  -0.00008  -0.00005   0.02045
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   D151      -0.00208   0.00000   0.00006  -0.00004   0.00002  -0.00206
   D152       3.12360   0.00000   0.00014  -0.00014  -0.00000   3.12359
   D153       3.12641   0.00000  -0.00013   0.00009  -0.00004   3.12637
   D154      -0.03110   0.00000  -0.00004  -0.00002  -0.00006  -0.03116
   D155       0.00629   0.00000  -0.00007   0.00008   0.00001   0.00630
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   D157      -3.12090   0.00000   0.00014  -0.00006   0.00008  -3.12082
   D158       0.01432   0.00000   0.00042  -0.00012   0.00030   0.01462
   D159       0.00058   0.00000  -0.00016   0.00010  -0.00006   0.00052
   D160       3.10277  -0.00000  -0.00029   0.00019  -0.00009   3.10267
   D161      -3.12774  -0.00000  -0.00023   0.00019  -0.00004  -3.12778
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   D164       0.01921  -0.00000  -0.00004   0.00005   0.00001   0.01922
   D165       0.00796   0.00000   0.00021  -0.00014   0.00006   0.00802
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   D167       3.11732   0.00000   0.00015  -0.00010   0.00005   3.11737
   D168      -0.00915  -0.00001  -0.00020  -0.00015  -0.00035  -0.00949
   D169       0.02411   0.00000   0.00031  -0.00022   0.00009   0.02420
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   D171       0.00022   0.00000   0.00012  -0.00014  -0.00002   0.00020
   D172       3.12723   0.00000  -0.00025   0.00051   0.00025   3.12748
   D173      -3.10335  -0.00000   0.00085  -0.00091  -0.00006  -3.10341
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   D177      -0.02298  -0.00000  -0.00045   0.00028  -0.00017  -0.02315
   D178       3.10761  -0.00000  -0.00084   0.00047  -0.00036   3.10725
   D179       0.00160   0.00000  -0.00009   0.00011   0.00002   0.00162
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   D185       3.11533   0.00000  -0.00065   0.00091   0.00026   3.11559
   D186      -0.01978   0.00001  -0.00041   0.00078   0.00037  -0.01941
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   D190       0.02155  -0.00001  -0.00015   0.00002  -0.00013   0.02142
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   D199       0.00182   0.00000   0.00004   0.00004   0.00007   0.00189
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   D209       3.12884   0.00000  -0.00013   0.00038   0.00025   3.12909
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   D233       3.13946  -0.00000  -0.00022   0.00013  -0.00009   3.13937
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   D242      -0.01110   0.00000   0.00007  -0.00008  -0.00000  -0.01110
   D243      -0.00829  -0.00000  -0.00020   0.00025   0.00006  -0.00824
   D244       3.14037   0.00000   0.00010  -0.00002   0.00009   3.14046
   D245       3.12772   0.00000  -0.00011   0.00026   0.00015   3.12787
   D246      -0.00680   0.00000   0.00019  -0.00001   0.00018  -0.00662
   D247       0.00795   0.00000   0.00018  -0.00024  -0.00006   0.00789
   D248      -3.12725  -0.00000  -0.00010  -0.00018  -0.00029  -3.12754
   D249      -3.14073  -0.00000  -0.00012   0.00003  -0.00009  -3.14082
   D250       0.00725  -0.00001  -0.00040   0.00009  -0.00031   0.00693
   D251      -0.00957  -0.00000  -0.00033   0.00033   0.00000  -0.00956
   D252       3.13571   0.00000   0.00001   0.00012   0.00013   3.13584
   D253       3.12890  -0.00000  -0.00017   0.00013  -0.00004   3.12886
   D254      -0.00901   0.00000   0.00017  -0.00008   0.00009  -0.00892
   D255       0.00751  -0.00000   0.00002  -0.00000   0.00002   0.00753
   D256      -3.13667  -0.00000  -0.00022  -0.00008  -0.00030  -3.13698
   D257      -3.13776  -0.00000  -0.00032   0.00021  -0.00011  -3.13787
   D258       0.00124  -0.00001  -0.00056   0.00012  -0.00043   0.00081
   D259       0.00890  -0.00000   0.00022  -0.00031  -0.00010   0.00881
   D260      -3.12607   0.00000   0.00035  -0.00028   0.00007  -3.12600
   D261      -3.13011   0.00000   0.00046  -0.00023   0.00022  -3.12989
   D262       0.01810   0.00001   0.00059  -0.00020   0.00039   0.01849
   D263       0.00643  -0.00000   0.00012  -0.00010   0.00002   0.00645
   D264      -3.14018  -0.00000   0.00003  -0.00004  -0.00000  -3.14018
   D265      -3.12423   0.00000   0.00050  -0.00029   0.00021  -3.12402
   D266       0.01235   0.00000   0.00042  -0.00023   0.00019   0.01254
   D267       0.00962   0.00000   0.00019  -0.00010   0.00009   0.00971
   D268      -3.13985   0.00000   0.00014   0.00001   0.00015  -3.13971
   D269      -3.12694   0.00000   0.00028  -0.00017   0.00011  -3.12683
   D270       0.00677   0.00000   0.00022  -0.00006   0.00017   0.00694
   D271      -0.00914   0.00000  -0.00017   0.00012  -0.00005  -0.00919
   D272       3.12596  -0.00000  -0.00041   0.00025  -0.00016   3.12580
   D273       3.14035  -0.00000  -0.00012   0.00001  -0.00010   3.14025
   D274      -0.00773  -0.00000  -0.00036   0.00014  -0.00022  -0.00794
   D275       0.00691  -0.00000   0.00000  -0.00001  -0.00001   0.00690
   D276      -3.14056  -0.00000   0.00001  -0.00012  -0.00010  -3.14066
   D277      -3.12965   0.00000   0.00015   0.00005   0.00021  -3.12945
   D278       0.00607   0.00000   0.00016  -0.00005   0.00011   0.00618
   D279      -0.00721   0.00000   0.00000  -0.00003  -0.00002  -0.00723
   D280       3.12984   0.00000   0.00016  -0.00016  -0.00000   3.12984
   D281       3.14024   0.00000  -0.00001   0.00008   0.00007   3.14031
   D282      -0.00589   0.00000   0.00015  -0.00006   0.00009  -0.00580
   D283      -0.00497   0.00000  -0.00007   0.00010   0.00003  -0.00494
   D284       3.12802   0.00000  -0.00003   0.00008   0.00005   3.12807
   D285       3.14115  -0.00000  -0.00023   0.00023   0.00001   3.14115
   D286      -0.00905  -0.00000  -0.00019   0.00022   0.00003  -0.00902
   D287      -0.00362  -0.00000  -0.00015   0.00021   0.00006  -0.00356
   D288       3.13964  -0.00000  -0.00019   0.00008  -0.00011   3.13953
   D289       3.13396   0.00000   0.00001   0.00012   0.00014   3.13410
   D290      -0.00596   0.00000  -0.00002  -0.00001  -0.00003  -0.00600
   D291      -0.00635   0.00000  -0.00015   0.00020   0.00005  -0.00630
   D292       3.13843   0.00000   0.00024  -0.00010   0.00014   3.13856
   D293       3.13357   0.00000  -0.00011   0.00033   0.00022   3.13379
   D294      -0.00484   0.00001   0.00028   0.00003   0.00031  -0.00453
   D295       0.00537   0.00000   0.00036  -0.00051  -0.00016   0.00521
   D296      -3.13200  -0.00000   0.00015  -0.00021  -0.00006  -3.13206
   D297      -3.13942  -0.00000  -0.00003  -0.00021  -0.00024  -3.13966
   D298       0.00640  -0.00000  -0.00024   0.00009  -0.00015   0.00625
   D299       1.78960   0.00096  -0.00419   0.00345  -0.00074   1.78887
   D300      -0.46693   0.00010  -0.00287   0.00231  -0.00056  -0.46749
   D301      -2.70650   0.00046  -0.00422   0.00368  -0.00055  -2.70705
   D302       3.10736   0.00028  -0.00474   0.00120  -0.00354   3.10382
   D303      -1.00855   0.00003  -0.00521   0.00085  -0.00436  -1.01291
   D304       1.22195  -0.00038  -0.00560   0.00068  -0.00492   1.21703
   D305      -2.16495  -0.00020  -0.01254   0.01430   0.00177  -2.16318
   D306      -0.02125  -0.00027  -0.01271   0.01640   0.00368  -0.01757
   D307       2.01915  -0.00019  -0.01304   0.01509   0.00205   2.02120
   D308       1.53685  -0.00001  -0.00948   0.00810  -0.00138   1.53547
   D309      -2.64006   0.00000  -0.00949   0.00821  -0.00128  -2.64135
   D310      -0.62674   0.00003  -0.00968   0.00847  -0.00121  -0.62795
   D311      -3.05103   0.00045  -0.00542   0.00130  -0.00412  -3.05515
   D312      -0.96552   0.00046  -0.00537   0.00095  -0.00442  -0.96994
   D313       1.15286   0.00046  -0.00503   0.00092  -0.00411   1.14875
   D314       1.11860  -0.00045  -0.00317  -0.00071  -0.00388   1.11472
   D315      -3.07908  -0.00044  -0.00312  -0.00106  -0.00418  -3.08326
   D316      -0.96070  -0.00044  -0.00279  -0.00109  -0.00387  -0.96457
   D317      -1.02164  -0.00009  -0.00497   0.00007  -0.00490  -1.02654
   D318       1.06387  -0.00008  -0.00492  -0.00028  -0.00520   1.05867
   D319      -3.10094  -0.00008  -0.00458  -0.00031  -0.00489  -3.10583
   D320      -1.05007  -0.00101   0.00704  -0.00890  -0.00185  -1.05193
   D321       1.06561  -0.00071   0.00523  -0.00615  -0.00092   1.06469
   D322      -3.05004  -0.00085   0.00718  -0.00699   0.00019  -3.04985
   D323       3.09541   0.00000   0.00199  -0.00321  -0.00122   3.09419
   D324      -1.09380  -0.00000   0.00201  -0.00296  -0.00095  -1.09476
   D325       1.01558   0.00000   0.00255  -0.00358  -0.00103   1.01455
   D326       1.06410   0.00001   0.00245  -0.00355  -0.00110   1.06300
   D327      -3.12512   0.00001   0.00247  -0.00330  -0.00083  -3.12595
   D328      -1.01574   0.00001   0.00301  -0.00392  -0.00091  -1.01665
   D329      -1.05034  -0.00002   0.00151  -0.00330  -0.00179  -1.05213
   D330       1.04363  -0.00003   0.00153  -0.00306  -0.00153   1.04211
   D331      -3.13017  -0.00002   0.00207  -0.00367  -0.00160  -3.13177
         Item               Value     Threshold  Converged?
 Maximum Force            0.003046     0.000450     NO 
 RMS     Force            0.000182     0.000300     YES
 Maximum Displacement     0.015583     0.001800     NO 
 RMS     Displacement     0.002296     0.001200     NO 
 Predicted change in Energy=-2.245651D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.594271    3.246567    0.118444
      2          6           0       -2.753453    1.866130    0.260553
      3          6           0       -1.649948    1.005713    0.211093
      4          6           0       -0.358945    1.558350    0.082301
      5          6           0       -0.207059    2.942004   -0.079097
      6          6           0       -1.310336    3.782399   -0.075195
      7          6           0       -1.785053   -0.462863    0.171386
      8          6           0       -0.654043   -1.286706    0.395048
      9          6           0        0.629584   -0.642708    0.825396
     10          6           0        0.825423    0.688687    0.155589
     11          6           0       -2.990755   -1.053347   -0.225054
     12          6           0       -3.085903   -2.426110   -0.458854
     13          6           0       -1.941382   -3.221101   -0.330450
     14          6           0       -0.747317   -2.650449    0.088872
     15          7           0        1.788323   -1.464426    0.910266
     16          6           0        3.037961   -0.959666    0.439876
     17          6           0        3.079634    0.325821   -0.147801
     18          7           0        1.959305    1.128080   -0.269900
     19          6           0        4.231135   -1.698716    0.484122
     20          6           0        5.418372   -1.171296   -0.008088
     21          6           0        5.458979    0.103821   -0.591955
     22          6           0        4.280851    0.836012   -0.664633
     23          7           0       -3.724704    4.097539    0.161074
     24          7           0       -4.314047   -2.996264   -0.870612
     25          7           0        6.676043    0.629576   -1.094572
     26          6           0       -4.945653   -4.094225   -0.268389
     27          6           0       -6.159426   -4.356733   -0.951368
     28          6           0       -6.265368   -3.378682   -2.014434
     29          6           0       -5.112950   -2.556509   -1.935831
     30          6           0       -3.857994    5.246858    0.954960
     31          6           0       -5.130040    5.824691    0.716433
     32          6           0       -5.795815    4.990853   -0.262644
     33          6           0       -4.904490    3.935745   -0.581358
     34          6           0        7.255468    1.851198   -0.727324
     35          6           0        8.476065    2.010832   -1.431102
     36          6           0        8.639883    0.835749   -2.261427
     37          6           0        7.513345    0.006539   -2.028164
     38          6           0       -7.213067   -3.144752   -3.017213
     39          6           0       -6.999281   -2.112394   -3.925662
     40          6           0       -5.841469   -1.320591   -3.847049
     41          6           0       -4.882758   -1.531427   -2.857813
     42          6           0       -4.554935   -4.840965    0.846186
     43          6           0       -5.391273   -5.877698    1.254623
     44          6           0       -6.589781   -6.163121    0.579075
     45          6           0       -6.980961   -5.404414   -0.519881
     46          6           0       -7.044414    5.054845   -0.891393
     47          6           0       -7.385056    4.080438   -1.824697
     48          6           0       -6.483938    3.050752   -2.142159
     49          6           0       -5.234111    2.966082   -1.532468
     50          6           0       -2.973698    5.788605    1.891824
     51          6           0       -3.371935    6.939045    2.569353
     52          6           0       -4.621152    7.535605    2.330454
     53          6           0       -5.505300    6.980489    1.410475
     54          6           0        9.618730    0.427802   -3.174800
     55          6           0        9.461829   -0.783703   -3.841413
     56          6           0        8.331933   -1.586017   -3.609121
     57          6           0        7.342844   -1.204079   -2.705317
     58          6           0        6.809865    2.804948    0.191594
     59          6           0        7.599334    3.936464    0.384533
     60          6           0        8.805220    4.117141   -0.313850
     61          6           0        9.249404    3.158035   -1.218910
     62          8           0        0.474101   -3.055503    2.715769
     63         15           0        1.774767   -2.790720    2.073743
     64          8           0        3.003404   -2.511671    3.062253
     65          8           0        2.365268   -3.944982    1.120473
     66          6           0        2.805777   -1.955257    4.404910
     67          6           0        3.630024   -0.692325    4.551925
     68          6           0        2.592215   -5.277453    1.673576
     69          6           0        1.347968   -6.140803    1.566457
     70          1           0       -3.748235    1.474265    0.433114
     71          1           0        0.793048    3.340442   -0.204098
     72          1           0       -1.190228    4.850532   -0.216937
     73          1           0       -3.867351   -0.439618   -0.389606
     74          1           0       -1.984408   -4.273704   -0.586072
     75          1           0        0.131241   -3.278008    0.121680
     76          1           0        4.248493   -2.690376    0.906833
     77          1           0        6.329475   -1.755186    0.063535
     78          1           0        4.251307    1.815551   -1.127227
     79          1           0       -8.101204   -3.766044   -3.087894
     80          1           0       -7.727836   -1.920895   -4.707286
     81          1           0       -5.682671   -0.531271   -4.575985
     82          1           0       -3.983642   -0.926853   -2.817661
     83          1           0       -3.639525   -4.618394    1.382984
     84          1           0       -5.109569   -6.473111    2.117984
     85          1           0       -7.217769   -6.978984    0.923273
     86          1           0       -7.914030   -5.617559   -1.033483
     87          1           0       -7.736684    5.857720   -0.654699
     88          1           0       -8.352843    4.116381   -2.315100
     89          1           0       -6.762874    2.300259   -2.875754
     90          1           0       -4.542505    2.174582   -1.797131
     91          1           0       -2.014051    5.327729    2.096067
     92          1           0       -2.700679    7.378700    3.301046
     93          1           0       -4.899781    8.432779    2.874431
     94          1           0       -6.477075    7.433531    1.236533
     95          1           0       10.487158    1.052374   -3.363706
     96          1           0       10.214828   -1.111151   -4.551528
     97          1           0        8.222125   -2.522936   -4.147269
     98          1           0        6.467943   -1.823400   -2.541346
     99          1           0        5.884206    2.670611    0.739998
    100          1           0        7.273151    4.692945    1.092146
    101          1           0        9.395178    5.012063   -0.141907
    102          1           0       10.186141    3.294605   -1.751663
    103          1           0        1.741304   -1.771877    4.561264
    104          1           0        3.136563   -2.737766    5.093625
    105          1           0        3.551203   -0.327189    5.581314
    106          1           0        4.684405   -0.884180    4.334140
    107          1           0        3.262292    0.088646    3.882636
    108          1           0        3.416059   -5.682419    1.081054
    109          1           0        2.933836   -5.182960    2.709195
    110          1           0        1.565600   -7.145283    1.944527
    111          1           0        0.530032   -5.714135    2.151174
    112          1           0        1.029589   -6.230284    0.523854
    113         17           0        0.302859    0.109512    2.765951
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351545           0.0181708           0.0142746
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9833734328 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000108   -0.000012   -0.000049 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48656470     A.U. after    8 cycles
            NFock=  8  Conv=0.64D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000048212   -0.000021546    0.000002129
      2        6          -0.000022552    0.000011160    0.000024478
      3        6          -0.000012538    0.000013526   -0.000043102
      4        6          -0.000024882    0.000002785   -0.000018308
      5        6           0.000001638    0.000014039    0.000015935
      6        6          -0.000014938    0.000007228   -0.000011250
      7        6           0.000073238   -0.000064065   -0.000030807
      8        6          -0.000330858   -0.000343291   -0.000601596
      9        6          -0.000415738    0.000169109    0.000746850
     10        6           0.000171483    0.000352563   -0.000444195
     11        6          -0.000029797   -0.000021600    0.000039289
     12        6           0.000102768    0.000017806    0.000031209
     13        6          -0.000079829    0.000013509   -0.000032298
     14        6           0.000026245    0.000134840   -0.000002322
     15        7           0.000536092   -0.000537619   -0.000060372
     16        6           0.000071315    0.000100186   -0.000061302
     17        6           0.000164606   -0.000061171   -0.000031748
     18        7          -0.000209248   -0.000023870    0.000038730
     19        6          -0.000100714   -0.000010179    0.000008600
     20        6           0.000066037    0.000099885   -0.000016624
     21        6          -0.000059043   -0.000142512    0.000039194
     22        6          -0.000091286   -0.000011526    0.000022217
     23        7          -0.000032611    0.000038437   -0.000016200
     24        7          -0.000077959   -0.000067276   -0.000068977
     25        7           0.000158493    0.000046349    0.000016962
     26        6          -0.000019054    0.000045502    0.000025779
     27        6          -0.000014711    0.000007826   -0.000008792
     28        6          -0.000010163   -0.000013821   -0.000004191
     29        6           0.000040609   -0.000021416    0.000034238
     30        6           0.000008054   -0.000021491    0.000018656
     31        6          -0.000012866   -0.000002523    0.000002797
     32        6          -0.000003328    0.000000658    0.000000031
     33        6           0.000005980    0.000006469   -0.000016398
     34        6          -0.000013803   -0.000063802    0.000001901
     35        6           0.000023993    0.000008632   -0.000018406
     36        6          -0.000006276    0.000014913   -0.000010469
     37        6          -0.000070682    0.000038945   -0.000020109
     38        6          -0.000002607    0.000001025    0.000002100
     39        6          -0.000005065    0.000001047   -0.000008509
     40        6           0.000004491    0.000002338    0.000006995
     41        6           0.000003923    0.000009714   -0.000020709
     42        6           0.000010652   -0.000002774    0.000001365
     43        6           0.000002208    0.000003235    0.000004811
     44        6           0.000005227   -0.000013565   -0.000003993
     45        6          -0.000003314   -0.000005877    0.000005120
     46        6          -0.000005422    0.000005964   -0.000003455
     47        6          -0.000004157   -0.000004237    0.000007352
     48        6          -0.000012573   -0.000003445   -0.000002987
     49        6           0.000015713   -0.000002939    0.000011818
     50        6           0.000003860    0.000010812    0.000001349
     51        6          -0.000001764    0.000004588    0.000007261
     52        6          -0.000003824   -0.000000297    0.000003390
     53        6           0.000000549    0.000003492   -0.000004531
     54        6           0.000011497   -0.000001909   -0.000003161
     55        6           0.000001202   -0.000000192   -0.000007499
     56        6          -0.000009640   -0.000000216    0.000002492
     57        6           0.000010380   -0.000011977    0.000003357
     58        6           0.000000159    0.000007404    0.000016100
     59        6          -0.000008828   -0.000006862    0.000000417
     60        6           0.000002160    0.000014430   -0.000010887
     61        6           0.000000092   -0.000003612    0.000011233
     62        8          -0.000009054   -0.000048926    0.000073587
     63       15           0.000097628    0.000195698   -0.000293115
     64        8           0.000021666    0.000023407   -0.000022173
     65        8          -0.000098072   -0.000014202    0.000087804
     66        6          -0.000023505   -0.000056205    0.000094323
     67        6          -0.000058732   -0.000108793   -0.000038575
     68        6           0.000116521   -0.000082845    0.000024914
     69        6          -0.000014804    0.000001237   -0.000038772
     70        1           0.000003164   -0.000004636   -0.000007790
     71        1           0.000007041   -0.000000717    0.000001341
     72        1          -0.000006709    0.000007477   -0.000000105
     73        1           0.000001792    0.000001590   -0.000016799
     74        1          -0.000008999   -0.000008069    0.000006399
     75        1          -0.000015095    0.000014778   -0.000009054
     76        1           0.000009517    0.000024228   -0.000026516
     77        1           0.000010732    0.000010593   -0.000006043
     78        1           0.000017337    0.000009636   -0.000005373
     79        1          -0.000001897   -0.000002432    0.000001470
     80        1          -0.000001928    0.000003364   -0.000001113
     81        1           0.000000489    0.000000792   -0.000002435
     82        1           0.000002256    0.000003144    0.000009874
     83        1           0.000002006    0.000000181   -0.000002196
     84        1          -0.000003637   -0.000003266    0.000002788
     85        1          -0.000003567   -0.000000055    0.000000892
     86        1          -0.000001799   -0.000000459   -0.000001795
     87        1           0.000001681   -0.000000294   -0.000000091
     88        1           0.000000326    0.000001068   -0.000004479
     89        1           0.000000608   -0.000000079   -0.000002501
     90        1           0.000007997   -0.000004667   -0.000001471
     91        1           0.000006457   -0.000005742   -0.000003670
     92        1           0.000004751   -0.000000265    0.000000541
     93        1           0.000002011    0.000001152    0.000000846
     94        1          -0.000001118   -0.000000454    0.000000088
     95        1           0.000001735    0.000002194    0.000004329
     96        1           0.000002053    0.000000201   -0.000001540
     97        1           0.000003515   -0.000003130    0.000000954
     98        1          -0.000005486   -0.000003587    0.000006053
     99        1          -0.000006892   -0.000005622   -0.000004168
    100        1          -0.000000919    0.000001745    0.000002591
    101        1           0.000001689   -0.000001511    0.000001363
    102        1           0.000001687   -0.000000664   -0.000002261
    103        1           0.000072233    0.000019359    0.000011725
    104        1           0.000010033    0.000009469    0.000017425
    105        1          -0.000028871    0.000011571   -0.000004124
    106        1          -0.000014158    0.000020184    0.000004505
    107        1          -0.000024435    0.000057267   -0.000056665
    108        1          -0.000021872    0.000023919   -0.000005542
    109        1          -0.000030964   -0.000012287   -0.000005946
    110        1          -0.000009450   -0.000002423    0.000007772
    111        1           0.000011239   -0.000001562    0.000013618
    112        1           0.000004602   -0.000006484    0.000003343
    113       17           0.000108389    0.000212316    0.000614812
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000746850 RMS     0.000097684

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003488819 RMS     0.000207202
 Search for a local minimum.
 Step number  44 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44
 DE= -1.98D-06 DEPred=-2.25D-07 R= 8.81D+00
 TightC=F SS=  1.41D+00  RLast= 2.27D-02 DXNew= 9.0345D-01 6.7991D-02
 Trust test= 8.81D+00 RLast= 2.27D-02 DXMaxT set to 5.37D-01
 ITU=  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1 -1
 ITU=  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1  0
 ITU=  0  0  1  0
     Eigenvalues ---    0.00163   0.00335   0.00401   0.00453   0.00620
     Eigenvalues ---    0.00788   0.01397   0.01699   0.01970   0.02248
     Eigenvalues ---    0.02464   0.02485   0.02542   0.02553   0.02572
     Eigenvalues ---    0.02586   0.02602   0.02636   0.02676   0.02681
     Eigenvalues ---    0.02697   0.02702   0.02708   0.02714   0.02740
     Eigenvalues ---    0.02752   0.02770   0.02774   0.02788   0.02795
     Eigenvalues ---    0.02801   0.02803   0.02812   0.02812   0.02823
     Eigenvalues ---    0.02830   0.02843   0.02851   0.02862   0.02870
     Eigenvalues ---    0.02875   0.02886   0.02888   0.02895   0.02898
     Eigenvalues ---    0.02901   0.02907   0.02910   0.02914   0.02917
     Eigenvalues ---    0.02921   0.02927   0.02933   0.02944   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02954   0.02956   0.02956
     Eigenvalues ---    0.02962   0.02965   0.02967   0.02969   0.02975
     Eigenvalues ---    0.02990   0.02990   0.02993   0.02995   0.02999
     Eigenvalues ---    0.03018   0.03019   0.03031   0.03045   0.03055
     Eigenvalues ---    0.03059   0.03064   0.03074   0.03082   0.03088
     Eigenvalues ---    0.03101   0.03109   0.03116   0.03127   0.03138
     Eigenvalues ---    0.03160   0.03166   0.03176   0.03178   0.03209
     Eigenvalues ---    0.03221   0.03231   0.03242   0.03271   0.03287
     Eigenvalues ---    0.03361   0.03568   0.03722   0.05086   0.05294
     Eigenvalues ---    0.05411   0.05531   0.05739   0.05857   0.05921
     Eigenvalues ---    0.05977   0.06166   0.06518   0.09051   0.10082
     Eigenvalues ---    0.11746   0.12188   0.13146   0.13888   0.14157
     Eigenvalues ---    0.15158   0.15744   0.15911   0.15947   0.15967
     Eigenvalues ---    0.15987   0.15993   0.15995   0.15996   0.15998
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16005
     Eigenvalues ---    0.16006   0.16011   0.16017   0.16023   0.16053
     Eigenvalues ---    0.16055   0.16100   0.16160   0.16202   0.18019
     Eigenvalues ---    0.19292   0.20393   0.20915   0.21853   0.21988
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22007   0.22126
     Eigenvalues ---    0.22354   0.22439   0.22472   0.22560   0.22597
     Eigenvalues ---    0.22603   0.22614   0.22648   0.22662   0.22779
     Eigenvalues ---    0.23206   0.23424   0.23466   0.23754   0.23997
     Eigenvalues ---    0.24281   0.24413   0.24477   0.24492   0.24505
     Eigenvalues ---    0.24525   0.24554   0.24685   0.24780   0.24808
     Eigenvalues ---    0.24912   0.24973   0.24975   0.24978   0.24985
     Eigenvalues ---    0.24987   0.24994   0.25007   0.25033   0.25117
     Eigenvalues ---    0.25159   0.25727   0.25858   0.26489   0.26901
     Eigenvalues ---    0.27159   0.27899   0.28612   0.28744   0.28852
     Eigenvalues ---    0.29208   0.29337   0.29579   0.29687   0.30081
     Eigenvalues ---    0.30423   0.30643   0.30704   0.30827   0.31000
     Eigenvalues ---    0.31062   0.31153   0.31258   0.31404   0.31489
     Eigenvalues ---    0.31539   0.31683   0.32134   0.32232   0.32473
     Eigenvalues ---    0.33133   0.33230   0.33529   0.33932   0.33966
     Eigenvalues ---    0.34077   0.34495   0.34668   0.34857   0.34937
     Eigenvalues ---    0.35154   0.35232   0.35477   0.35577   0.35798
     Eigenvalues ---    0.36388   0.36776   0.37164   0.37309   0.38992
     Eigenvalues ---    0.39792   0.41503   0.41681   0.42074   0.42593
     Eigenvalues ---    0.42803   0.43427   0.43700   0.45296   0.46040
     Eigenvalues ---    0.47079   0.47103   0.47108   0.47266   0.47703
     Eigenvalues ---    0.47925   0.49464   0.49663   0.50019   0.50398
     Eigenvalues ---    0.50564   0.51099   0.51262   0.51716   0.52060
     Eigenvalues ---    0.52141   0.52281   0.52648   0.53105   0.53242
     Eigenvalues ---    0.53393   0.53789   0.54292   0.54348   0.55040
     Eigenvalues ---    0.55306   0.55455   0.55609   0.55700   0.55997
     Eigenvalues ---    0.56178   0.56315   0.56470   0.56598   0.56797
     Eigenvalues ---    0.56935   0.57148   0.57329   0.57867   0.58232
     Eigenvalues ---    0.58285   0.58297   0.58336   0.58509   0.58652
     Eigenvalues ---    0.58881   0.58944   0.59415   0.59704   0.59806
     Eigenvalues ---    0.60038   0.60540   0.60882   0.61379   0.62009
     Eigenvalues ---    0.63245   0.63513   0.64186   0.65120   0.65339
     Eigenvalues ---    0.65886   0.66741   0.67806   0.68859   0.72070
     Eigenvalues ---    0.73111   0.74535   0.78554   0.80541   0.81099
     Eigenvalues ---    0.85360   1.39880   5.67129
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    44   43   42   41   40   39   38   37   36   35
 RFO step:  Lambda=-1.96907137D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.70408   -1.59401    0.14013    1.00289    0.45514
                  RFO-DIIS coefs:   -2.00000    1.61419   -0.32243    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00268472 RMS(Int)=  0.00000717
 Iteration  2 RMS(Cart)=  0.00001461 RMS(Int)=  0.00000076
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000076
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63963   0.00001  -0.00002   0.00001  -0.00001   2.63962
    R2        2.65444  -0.00001   0.00007  -0.00006   0.00000   2.65445
    R3        2.67505   0.00003  -0.00003   0.00005   0.00002   2.67506
    R4        2.64594   0.00002  -0.00002   0.00006   0.00004   2.64599
    R5        2.04661  -0.00000   0.00002  -0.00006  -0.00004   2.04656
    R6        2.66491   0.00006  -0.00006   0.00004  -0.00003   2.66488
    R7        2.78794   0.00009  -0.00014   0.00019   0.00005   2.78798
    R8        2.64806   0.00002   0.00006  -0.00001   0.00005   2.64810
    R9        2.78016   0.00003  -0.00013   0.00003  -0.00010   2.78005
   R10        2.62087   0.00001   0.00000  -0.00003  -0.00003   2.62084
   R11        2.04806   0.00001  -0.00002   0.00005   0.00002   2.04808
   R12        2.04878   0.00001  -0.00005   0.00007   0.00003   2.04881
   R13        2.67777  -0.00003  -0.00002   0.00002  -0.00001   2.67776
   R14        2.64531   0.00003  -0.00005   0.00008   0.00004   2.64535
   R15        2.83310   0.00055   0.00042   0.00012   0.00053   2.83363
   R16        2.64713  -0.00009   0.00001  -0.00009  -0.00008   2.64705
   R17        2.84063   0.00037  -0.00003   0.00021   0.00018   2.84082
   R18        2.68919   0.00071   0.00058   0.00013   0.00072   2.68991
   R19        2.43459  -0.00015   0.00006  -0.00008  -0.00002   2.43457
   R20        2.63764  -0.00001  -0.00004   0.00004  -0.00000   2.63763
   R21        2.04594   0.00000   0.00005  -0.00008  -0.00002   2.04591
   R22        2.64455  -0.00006   0.00002  -0.00005  -0.00003   2.64453
   R23        2.67445   0.00009   0.00007   0.00003   0.00010   2.67455
   R24        2.62343   0.00007   0.00002  -0.00001   0.00001   2.62344
   R25        2.04856   0.00001  -0.00004   0.00006   0.00002   2.04858
   R26        2.04123  -0.00002  -0.00006   0.00006  -0.00000   2.04122
   R27        2.69751   0.00016   0.00004   0.00003   0.00007   2.69758
   R28        3.33413   0.00011   0.00017  -0.00040  -0.00023   3.33390
   R29        2.67219   0.00002   0.00007  -0.00005   0.00002   2.67221
   R30        2.65358  -0.00001  -0.00006   0.00002  -0.00004   2.65354
   R31        2.61416   0.00012  -0.00015   0.00006  -0.00009   2.61406
   R32        2.65258  -0.00004  -0.00005   0.00002  -0.00003   2.65255
   R33        2.62527   0.00006   0.00006  -0.00000   0.00006   2.62534
   R34        2.03738  -0.00003  -0.00009   0.00005  -0.00004   2.03734
   R35        2.65133  -0.00012  -0.00013   0.00001  -0.00012   2.65121
   R36        2.04943   0.00001   0.00002  -0.00001   0.00000   2.04944
   R37        2.62486   0.00003   0.00001   0.00001   0.00002   2.62488
   R38        2.67934   0.00010   0.00012   0.00003   0.00016   2.67950
   R39        2.04786   0.00001   0.00003  -0.00001   0.00001   2.04787
   R40        2.65165  -0.00000   0.00008  -0.00006   0.00002   2.65167
   R41        2.65187  -0.00001   0.00008  -0.00006   0.00002   2.65189
   R42        2.65041  -0.00001  -0.00000  -0.00002  -0.00002   2.65039
   R43        2.64988  -0.00004  -0.00004  -0.00003  -0.00006   2.64982
   R44        2.64762  -0.00005  -0.00003  -0.00004  -0.00007   2.64755
   R45        2.64619  -0.00003  -0.00004  -0.00003  -0.00007   2.64612
   R46        2.67823   0.00002   0.00000   0.00001   0.00001   2.67824
   R47        2.64059   0.00001  -0.00000   0.00000  -0.00000   2.64059
   R48        2.73712   0.00000   0.00004  -0.00002   0.00002   2.73713
   R49        2.64476   0.00001   0.00001  -0.00000   0.00001   2.64478
   R50        2.67929   0.00001   0.00001   0.00001   0.00002   2.67931
   R51        2.64455   0.00001  -0.00000   0.00001   0.00000   2.64456
   R52        2.64145   0.00001   0.00001   0.00001   0.00002   2.64147
   R53        2.67841   0.00001   0.00001   0.00000   0.00001   2.67842
   R54        2.64101   0.00001   0.00001  -0.00001   0.00000   2.64102
   R55        2.73660   0.00001   0.00004  -0.00002   0.00002   2.73662
   R56        2.64453   0.00000  -0.00001   0.00001  -0.00000   2.64452
   R57        2.67868   0.00000  -0.00001   0.00001  -0.00000   2.67867
   R58        2.64455   0.00001  -0.00001   0.00001   0.00000   2.64455
   R59        2.64123  -0.00000  -0.00001  -0.00001  -0.00001   2.64122
   R60        2.67958   0.00002   0.00002   0.00000   0.00002   2.67960
   R61        2.64063   0.00001  -0.00000   0.00001   0.00000   2.64063
   R62        2.73658   0.00000   0.00002  -0.00001   0.00001   2.73659
   R63        2.64505   0.00000  -0.00001   0.00001  -0.00000   2.64504
   R64        2.67987   0.00001   0.00001   0.00000   0.00002   2.67989
   R65        2.64482   0.00001   0.00000   0.00001   0.00001   2.64483
   R66        2.64103   0.00000  -0.00001   0.00001   0.00000   2.64103
   R67        2.62988   0.00001   0.00002  -0.00001   0.00001   2.62989
   R68        2.05258   0.00000   0.00000   0.00000   0.00001   2.05259
   R69        2.65482   0.00001   0.00002  -0.00001   0.00001   2.65483
   R70        2.05138   0.00000  -0.00003   0.00003   0.00000   2.05138
   R71        2.63355  -0.00000  -0.00001   0.00000  -0.00001   2.63354
   R72        2.05241   0.00000  -0.00005   0.00006   0.00002   2.05243
   R73        2.04888   0.00000   0.00001  -0.00001   0.00000   2.04888
   R74        2.63283   0.00001   0.00001  -0.00001   0.00001   2.63283
   R75        2.04899   0.00000  -0.00019   0.00025   0.00006   2.04905
   R76        2.65522   0.00001   0.00000   0.00001   0.00001   2.65523
   R77        2.05213   0.00000  -0.00001   0.00001   0.00001   2.05214
   R78        2.62962   0.00001   0.00001  -0.00001   0.00001   2.62962
   R79        2.05144   0.00000  -0.00000   0.00001   0.00000   2.05144
   R80        2.05263   0.00000  -0.00000   0.00001   0.00000   2.05263
   R81        2.62975   0.00001   0.00001   0.00000   0.00001   2.62976
   R82        2.05266  -0.00000  -0.00008   0.00009   0.00001   2.05266
   R83        2.65441   0.00001  -0.00002   0.00002  -0.00000   2.65440
   R84        2.05138   0.00000  -0.00001   0.00002   0.00001   2.05138
   R85        2.63273   0.00001   0.00005  -0.00002   0.00002   2.63276
   R86        2.05208   0.00000  -0.00002   0.00002   0.00000   2.05208
   R87        2.04827   0.00001  -0.00003   0.00005   0.00002   2.04829
   R88        2.63286   0.00001   0.00001  -0.00000   0.00001   2.63287
   R89        2.04845   0.00001  -0.00005   0.00008   0.00003   2.04848
   R90        2.65471   0.00001  -0.00000   0.00000  -0.00000   2.65471
   R91        2.05212   0.00000  -0.00000   0.00001   0.00000   2.05212
   R92        2.62953   0.00001  -0.00001   0.00001   0.00000   2.62953
   R93        2.05143   0.00000   0.00000  -0.00000   0.00000   2.05144
   R94        2.05264   0.00000  -0.00000   0.00001   0.00000   2.05264
   R95        2.62987   0.00001   0.00000   0.00000   0.00001   2.62988
   R96        2.05272   0.00000  -0.00003   0.00003   0.00000   2.05272
   R97        2.65527   0.00001   0.00002  -0.00001   0.00001   2.65528
   R98        2.05146   0.00000  -0.00001   0.00002   0.00001   2.05146
   R99        2.63279   0.00000  -0.00001   0.00001  -0.00001   2.63278
   R100       2.05231   0.00000  -0.00002   0.00002   0.00001   2.05232
   R101       2.04919   0.00001   0.00001   0.00001   0.00002   2.04921
   R102       2.63264  -0.00000  -0.00002   0.00001  -0.00001   2.63263
   R103       2.04897   0.00000   0.00002  -0.00001   0.00001   2.04898
   R104       2.65542   0.00001   0.00002   0.00000   0.00002   2.65543
   R105       2.05222   0.00000   0.00000   0.00000   0.00001   2.05223
   R106       2.62958   0.00001   0.00000   0.00000   0.00000   2.62959
   R107       2.05146  -0.00000  -0.00000  -0.00000  -0.00001   2.05146
   R108       2.05273   0.00000  -0.00001   0.00002   0.00001   2.05274
   R109       2.78633   0.00006   0.00008   0.00001   0.00009   2.78642
   R110       3.02626   0.00045  -0.00021   0.00015  -0.00006   3.02620
   R111       3.04107  -0.00002  -0.00033   0.00034   0.00000   3.04107
   R112       2.77177   0.00065   0.00045   0.00007   0.00052   2.77230
   R113       2.75985   0.00009   0.00030   0.00009   0.00039   2.76023
   R114       2.86342  -0.00009  -0.00035   0.00006  -0.00029   2.86313
   R115       2.06247  -0.00004  -0.00016  -0.00014  -0.00031   2.06216
   R116       2.06670   0.00001  -0.00001  -0.00002  -0.00003   2.06667
   R117       2.06938   0.00000   0.00003  -0.00003  -0.00000   2.06938
   R118       2.06660  -0.00002  -0.00012   0.00014   0.00003   2.06663
   R119       2.06412   0.00008   0.00005   0.00011   0.00016   2.06428
   R120       2.86902   0.00001   0.00013  -0.00014  -0.00001   2.86901
   R121       2.06474  -0.00002  -0.00018   0.00010  -0.00008   2.06465
   R122       2.06849  -0.00002  -0.00003  -0.00004  -0.00007   2.06842
   R123       2.06947   0.00000   0.00001   0.00000   0.00002   2.06949
   R124       2.06401  -0.00000   0.00003  -0.00004  -0.00001   2.06400
   R125       2.06698  -0.00000  -0.00005   0.00003  -0.00002   2.06696
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    A2        2.09442  -0.00001  -0.00006   0.00005  -0.00000   2.09442
    A3        2.09990  -0.00001   0.00004  -0.00009  -0.00004   2.09986
    A4        2.11051   0.00001  -0.00010   0.00010  -0.00000   2.11051
    A5        2.06970   0.00000   0.00020  -0.00019   0.00001   2.06971
    A6        2.10272  -0.00001  -0.00010   0.00009  -0.00001   2.10271
    A7        2.07591  -0.00003   0.00018  -0.00023  -0.00005   2.07586
    A8        2.14180  -0.00003  -0.00019   0.00026   0.00007   2.14187
    A9        2.06176   0.00005  -0.00001  -0.00001  -0.00002   2.06174
   A10        2.09059   0.00000  -0.00009   0.00014   0.00005   2.09063
   A11        2.09530   0.00002   0.00001  -0.00001  -0.00000   2.09530
   A12        2.09690  -0.00002   0.00009  -0.00012  -0.00004   2.09686
   A13        2.10805   0.00000   0.00000  -0.00000  -0.00000   2.10805
   A14        2.06725  -0.00001  -0.00003   0.00002  -0.00001   2.06724
   A15        2.10788   0.00000   0.00003  -0.00002   0.00001   2.10789
   A16        2.09020  -0.00001   0.00002  -0.00006  -0.00004   2.09016
   A17        2.08875  -0.00000  -0.00002   0.00001  -0.00001   2.08874
   A18        2.10423   0.00001   0.00001   0.00004   0.00005   2.10428
   A19        2.09601   0.00005   0.00005  -0.00005  -0.00000   2.09601
   A20        2.10180  -0.00006  -0.00018   0.00027   0.00009   2.10189
   A21        2.07936   0.00001   0.00014  -0.00023  -0.00009   2.07928
   A22        2.07026  -0.00007  -0.00012  -0.00000  -0.00013   2.07013
   A23        2.06959  -0.00002  -0.00010   0.00023   0.00014   2.06973
   A24        2.13880   0.00008   0.00025  -0.00021   0.00004   2.13884
   A25        1.94347  -0.00014  -0.00040  -0.00006  -0.00046   1.94301
   A26        2.05584  -0.00002  -0.00012  -0.00040  -0.00051   2.05533
   A27        2.01742  -0.00006   0.00013  -0.00031  -0.00018   2.01724
   A28        2.02738  -0.00003   0.00002  -0.00012  -0.00010   2.02728
   A29        2.08342   0.00002   0.00005  -0.00002   0.00004   2.08346
   A30        2.16990   0.00001  -0.00002   0.00011   0.00009   2.16999
   A31        2.11884   0.00001  -0.00013   0.00010  -0.00003   2.11881
   A32        2.09590   0.00000   0.00006   0.00003   0.00009   2.09599
   A33        2.06789  -0.00001   0.00006  -0.00012  -0.00006   2.06782
   A34        2.08013  -0.00002   0.00005   0.00002   0.00007   2.08020
   A35        2.09915  -0.00001  -0.00020   0.00013  -0.00008   2.09907
   A36        2.10314   0.00003   0.00014  -0.00015  -0.00000   2.10314
   A37        2.09168   0.00000  -0.00001  -0.00002  -0.00003   2.09164
   A38        2.09152  -0.00001  -0.00009   0.00006  -0.00003   2.09149
   A39        2.09959   0.00001   0.00011  -0.00005   0.00006   2.09965
   A40        2.12172   0.00002  -0.00002  -0.00004  -0.00006   2.12166
   A41        2.09997  -0.00001  -0.00011   0.00004  -0.00007   2.09989
   A42        2.06001  -0.00001   0.00012   0.00001   0.00013   2.06015
   A43        2.08173  -0.00019  -0.00037   0.00022  -0.00014   2.08158
   A44        2.05685   0.00067  -0.00019  -0.00009  -0.00027   2.05657
   A45        2.08271  -0.00041   0.00022  -0.00006   0.00016   2.08287
   A46        2.07625   0.00010   0.00011  -0.00001   0.00010   2.07635
   A47        2.15001  -0.00005  -0.00026   0.00006  -0.00020   2.14982
   A48        2.05613  -0.00005   0.00011  -0.00003   0.00007   2.05621
   A49        2.14126   0.00006   0.00009  -0.00007   0.00002   2.14128
   A50        2.10442   0.00000  -0.00013   0.00004  -0.00008   2.10434
   A51        2.03730  -0.00007   0.00005   0.00002   0.00007   2.03736
   A52        2.07811   0.00007   0.00001   0.00006   0.00007   2.07819
   A53        2.11202   0.00004   0.00003  -0.00002   0.00001   2.11203
   A54        2.10613  -0.00000   0.00010  -0.00007   0.00002   2.10615
   A55        2.06502  -0.00004  -0.00013   0.00010  -0.00003   2.06499
   A56        2.11439  -0.00002  -0.00018   0.00007  -0.00011   2.11428
   A57        2.08306   0.00003   0.00023  -0.00007   0.00016   2.08323
   A58        2.08573  -0.00000  -0.00005  -0.00000  -0.00005   2.08568
   A59        2.06724   0.00000   0.00021  -0.00008   0.00013   2.06737
   A60        2.10525   0.00000  -0.00003  -0.00002  -0.00005   2.10520
   A61        2.11069  -0.00001  -0.00018   0.00010  -0.00008   2.11061
   A62        2.11177   0.00002  -0.00003   0.00001  -0.00002   2.11175
   A63        2.05147   0.00001   0.00018  -0.00004   0.00013   2.05161
   A64        2.11991  -0.00003  -0.00015   0.00003  -0.00011   2.11979
   A65        2.19602   0.00001   0.00002  -0.00001   0.00001   2.19603
   A66        2.19707  -0.00002  -0.00003   0.00000  -0.00002   2.19704
   A67        1.89009   0.00001   0.00001   0.00001   0.00001   1.89011
   A68        2.19105   0.00002   0.00010  -0.00007   0.00002   2.19107
   A69        2.20071  -0.00003  -0.00012   0.00008  -0.00004   2.20067
   A70        1.89137   0.00000   0.00002  -0.00000   0.00002   1.89139
   A71        2.19617  -0.00001  -0.00001   0.00002   0.00001   2.19618
   A72        2.19522  -0.00000  -0.00003  -0.00001  -0.00004   2.19518
   A73        1.89169   0.00001   0.00004  -0.00000   0.00004   1.89173
   A74        1.90049   0.00000  -0.00001   0.00001  -0.00000   1.90049
   A75        2.25870  -0.00000  -0.00004  -0.00001  -0.00005   2.25866
   A76        2.12336  -0.00000   0.00005   0.00000   0.00005   2.12341
   A77        1.86634  -0.00001  -0.00000  -0.00001  -0.00001   1.86633
   A78        2.08611  -0.00000  -0.00004   0.00000  -0.00004   2.08607
   A79        2.33067   0.00001   0.00004   0.00000   0.00005   2.33072
   A80        1.86652  -0.00001  -0.00001  -0.00001  -0.00002   1.86650
   A81        2.32998   0.00001   0.00004  -0.00000   0.00004   2.33002
   A82        2.08659  -0.00000  -0.00003   0.00001  -0.00002   2.08657
   A83        1.90005   0.00001   0.00000   0.00001   0.00001   1.90006
   A84        2.26168  -0.00001  -0.00006   0.00003  -0.00003   2.26165
   A85        2.12064   0.00000   0.00005  -0.00003   0.00002   2.12066
   A86        1.90071  -0.00001  -0.00003   0.00001  -0.00002   1.90069
   A87        2.26096   0.00000   0.00005  -0.00003   0.00001   2.26098
   A88        2.12076   0.00000  -0.00003   0.00004   0.00000   2.12076
   A89        1.86674  -0.00000   0.00002  -0.00001   0.00001   1.86675
   A90        2.08738  -0.00001   0.00002  -0.00003  -0.00001   2.08737
   A91        2.32895   0.00001  -0.00005   0.00004  -0.00001   2.32894
   A92        1.86661  -0.00000   0.00001  -0.00001   0.00000   1.86661
   A93        2.32900   0.00001  -0.00002   0.00003   0.00001   2.32901
   A94        2.08753  -0.00000   0.00001  -0.00001  -0.00001   2.08753
   A95        1.90061   0.00000  -0.00002   0.00001  -0.00001   1.90061
   A96        2.26305  -0.00001   0.00002  -0.00003  -0.00002   2.26304
   A97        2.11895   0.00001  -0.00000   0.00003   0.00002   2.11898
   A98        1.90081   0.00001  -0.00002   0.00002  -0.00000   1.90081
   A99        2.25960  -0.00001  -0.00003  -0.00001  -0.00003   2.25957
   A100       2.12240   0.00000   0.00005  -0.00001   0.00004   2.12244
   A101       1.86566  -0.00001  -0.00000  -0.00001  -0.00002   1.86564
   A102       2.08590  -0.00001  -0.00005   0.00000  -0.00004   2.08586
   A103       2.33158   0.00002   0.00005   0.00001   0.00006   2.33164
   A104       1.86533  -0.00001  -0.00001  -0.00001  -0.00001   1.86532
   A105       2.33204   0.00001  -0.00001   0.00004   0.00002   2.33207
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   A110       2.08028   0.00000  -0.00000   0.00001   0.00001   2.08028
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   A112       2.10301   0.00000   0.00003  -0.00002   0.00001   2.10302
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   A115       2.08746  -0.00000  -0.00002   0.00000  -0.00002   2.08745
   A116       2.11929   0.00000   0.00003  -0.00002   0.00001   2.11930
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   A119       2.05540  -0.00000  -0.00005   0.00004  -0.00002   2.05539
   A120       2.11890  -0.00001  -0.00002  -0.00002  -0.00004   2.11886
   A121       2.10879   0.00001   0.00007  -0.00002   0.00005   2.10884
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   A202       1.94416  -0.00001  -0.00037   0.00022  -0.00015   1.94402
   A203       1.82343  -0.00001  -0.00019  -0.00005  -0.00024   1.82319
   A204       1.90504   0.00002  -0.00013   0.00031   0.00018   1.90522
   A205       1.94864   0.00001   0.00036  -0.00024   0.00011   1.94875
   A206       1.95155  -0.00002  -0.00020   0.00006  -0.00014   1.95141
   A207       1.88573   0.00001   0.00056  -0.00031   0.00025   1.88597
   A208       1.91173   0.00001   0.00013  -0.00005   0.00008   1.91181
   A209       1.93245  -0.00002  -0.00045   0.00019  -0.00026   1.93219
   A210       1.93085   0.00001   0.00028  -0.00021   0.00008   1.93093
   A211       1.89897  -0.00001  -0.00022   0.00010  -0.00012   1.89885
   A212       1.88797  -0.00001  -0.00007   0.00008   0.00001   1.88798
   A213       1.90103   0.00001   0.00034  -0.00012   0.00022   1.90125
   A214       2.08507   0.00100   0.01133  -0.00399   0.00733   2.09240
    D1       -0.00145   0.00001  -0.00026   0.00015  -0.00011  -0.00156
    D2        3.11596   0.00002  -0.00030   0.00016  -0.00014   3.11582
    D3        3.13290  -0.00001  -0.00047   0.00029  -0.00019   3.13272
    D4       -0.03287   0.00001  -0.00051   0.00029  -0.00022  -0.03309
    D5       -0.03747  -0.00000   0.00024  -0.00022   0.00003  -0.03744
    D6        3.10783  -0.00001  -0.00006   0.00007   0.00002   3.10784
    D7        3.11139   0.00001   0.00045  -0.00035   0.00010   3.11149
    D8       -0.02650   0.00000   0.00016  -0.00007   0.00009  -0.02641
    D9        2.26348  -0.00000   0.00098  -0.00087   0.00012   2.26360
   D10       -0.87640   0.00000   0.00118  -0.00075   0.00043  -0.87597
   D11       -0.88540  -0.00002   0.00077  -0.00073   0.00004  -0.88536
   D12        2.25790  -0.00001   0.00097  -0.00061   0.00036   2.25826
   D13        0.05532   0.00000  -0.00006   0.00014   0.00008   0.05540
   D14       -2.99199   0.00004   0.00020  -0.00007   0.00013  -2.99186
   D15       -3.06164  -0.00001  -0.00002   0.00014   0.00011  -3.06152
   D16        0.17424   0.00003   0.00024  -0.00008   0.00016   0.17440
   D17       -0.07068  -0.00001   0.00040  -0.00037   0.00003  -0.07065
   D18        3.04069   0.00001   0.00045  -0.00020   0.00025   3.04094
   D19        2.98096  -0.00005   0.00014  -0.00015  -0.00001   2.98096
   D20       -0.19085  -0.00003   0.00019   0.00002   0.00021  -0.19064
   D21       -2.91747   0.00000  -0.00071   0.00057  -0.00015  -2.91762
   D22        0.34278   0.00002  -0.00086   0.00071  -0.00015   0.34263
   D23        0.31769   0.00004  -0.00046   0.00037  -0.00010   0.31759
   D24       -2.70525   0.00006  -0.00061   0.00051  -0.00011  -2.70536
   D25        0.03285   0.00001  -0.00043   0.00032  -0.00012   0.03273
   D26       -3.11188   0.00001  -0.00023   0.00015  -0.00008  -3.11196
   D27       -3.07850  -0.00001  -0.00048   0.00015  -0.00033  -3.07883
   D28        0.05996  -0.00001  -0.00027  -0.00002  -0.00029   0.05967
   D29       -0.35728  -0.00010  -0.00041  -0.00037  -0.00079  -0.35807
   D30        2.85677  -0.00011  -0.00117  -0.00004  -0.00121   2.85555
   D31        2.75398  -0.00007  -0.00037  -0.00020  -0.00057   2.75341
   D32       -0.31516  -0.00009  -0.00113   0.00013  -0.00100  -0.31616
   D33        0.02168  -0.00001   0.00010  -0.00001   0.00009   0.02177
   D34       -3.12365  -0.00000   0.00040  -0.00030   0.00010  -3.12355
   D35       -3.11670  -0.00000  -0.00011   0.00015   0.00005  -3.11666
   D36        0.02115   0.00000   0.00020  -0.00014   0.00006   0.02121
   D37        0.12197   0.00007   0.00086  -0.00033   0.00053   0.12250
   D38       -2.92005   0.00005   0.00047  -0.00051  -0.00004  -2.92010
   D39       -3.13676   0.00005   0.00099  -0.00044   0.00055  -3.13621
   D40        0.10440   0.00003   0.00059  -0.00061  -0.00002   0.10438
   D41        2.97588  -0.00003  -0.00009   0.00013   0.00004   2.97592
   D42       -0.12927  -0.00001   0.00007   0.00022   0.00029  -0.12898
   D43       -0.04818  -0.00002  -0.00023   0.00026   0.00003  -0.04815
   D44        3.12986   0.00000  -0.00007   0.00034   0.00027   3.13013
   D45       -0.64020  -0.00012  -0.00088  -0.00003  -0.00091  -0.64112
   D46       -3.02971   0.00016  -0.00048   0.00099   0.00051  -3.02921
   D47        2.39765  -0.00011  -0.00049   0.00018  -0.00031   2.39734
   D48        0.00814   0.00017  -0.00009   0.00120   0.00111   0.00925
   D49       -0.08358  -0.00003  -0.00038   0.00044   0.00005  -0.08353
   D50        2.99822  -0.00001  -0.00050   0.00060   0.00010   2.99832
   D51       -3.12146  -0.00004  -0.00077   0.00024  -0.00054  -3.12200
   D52       -0.03967  -0.00002  -0.00089   0.00040  -0.00049  -0.04016
   D53        0.75259   0.00013   0.00065   0.00038   0.00103   0.75363
   D54       -2.46546   0.00014   0.00146   0.00003   0.00148  -2.46398
   D55       -3.12333  -0.00013   0.00015  -0.00066  -0.00050  -3.12383
   D56       -0.05820  -0.00011   0.00096  -0.00101  -0.00005  -0.05825
   D57        2.41905  -0.00034   0.00072  -0.00121  -0.00049   2.41857
   D58       -1.09541  -0.00024  -0.00017  -0.00101  -0.00118  -1.09659
   D59        0.06054  -0.00002   0.00136  -0.00025   0.00112   0.06166
   D60        2.82926   0.00008   0.00047  -0.00005   0.00042   2.82968
   D61        3.09578   0.00014  -0.00114   0.00080  -0.00034   3.09544
   D62        0.03294   0.00013  -0.00197   0.00117  -0.00080   0.03215
   D63       -0.03212  -0.00001  -0.00036   0.00031  -0.00005  -0.03217
   D64       -3.13161   0.00000  -0.00011   0.00013   0.00001  -3.13160
   D65        3.07360  -0.00002  -0.00051   0.00022  -0.00029   3.07331
   D66       -0.02590  -0.00002  -0.00027   0.00004  -0.00022  -0.02612
   D67        0.05476   0.00001   0.00056  -0.00048   0.00008   0.05484
   D68       -3.05633   0.00000   0.00022  -0.00029  -0.00007  -3.05640
   D69       -3.12903  -0.00000   0.00031  -0.00029   0.00001  -3.12902
   D70        0.04307  -0.00001  -0.00003  -0.00010  -0.00014   0.04293
   D71       -2.23950   0.00002   0.00006   0.00069   0.00074  -2.23876
   D72        0.88991   0.00001   0.00013   0.00040   0.00053   0.89043
   D73        0.94475   0.00003   0.00031   0.00050   0.00081   0.94556
   D74       -2.20903   0.00002   0.00038   0.00021   0.00059  -2.20844
   D75        0.00362   0.00001  -0.00018   0.00010  -0.00008   0.00354
   D76       -3.07949  -0.00001  -0.00006  -0.00006  -0.00012  -3.07961
   D77        3.11457   0.00002   0.00015  -0.00009   0.00006   3.11463
   D78        0.03146  -0.00000   0.00027  -0.00025   0.00002   0.03148
   D79       -0.04374   0.00012  -0.00256   0.00122  -0.00134  -0.04507
   D80        3.14150   0.00010  -0.00157   0.00076  -0.00081   3.14069
   D81       -2.80690  -0.00022  -0.00156   0.00103  -0.00053  -2.80743
   D82        0.37834  -0.00024  -0.00057   0.00057  -0.00001   0.37833
   D83        0.15639  -0.00003   0.00067  -0.00057   0.00010   0.15648
   D84       -2.10671  -0.00089   0.00054  -0.00025   0.00029  -2.10642
   D85        2.34176  -0.00029   0.00034  -0.00020   0.00014   2.34190
   D86        2.92489   0.00012  -0.00035  -0.00031  -0.00067   2.92423
   D87        0.66179  -0.00074  -0.00049   0.00001  -0.00048   0.66132
   D88       -1.17292  -0.00014  -0.00069   0.00006  -0.00063  -1.17355
   D89        0.01690  -0.00010   0.00163  -0.00115   0.00049   0.01739
   D90       -3.10192  -0.00005   0.00099  -0.00075   0.00025  -3.10167
   D91        3.11720  -0.00009   0.00069  -0.00071  -0.00002   3.11718
   D92       -0.00162  -0.00003   0.00005  -0.00031  -0.00026  -0.00188
   D93        3.12176   0.00005  -0.00099   0.00076  -0.00023   3.12152
   D94       -0.02521   0.00003  -0.00085   0.00074  -0.00011  -0.02532
   D95        0.02334   0.00003  -0.00002   0.00030   0.00029   0.02362
   D96       -3.12363   0.00001   0.00012   0.00029   0.00041  -3.12322
   D97       -0.01141  -0.00001   0.00066  -0.00006   0.00059  -0.01081
   D98        3.10823  -0.00007   0.00127  -0.00045   0.00082   3.10906
   D99       -0.01920   0.00002   0.00007   0.00002   0.00008  -0.01912
   D100       3.11427  -0.00000  -0.00009   0.00018   0.00010   3.11436
   D101      -3.13934   0.00007  -0.00054   0.00040  -0.00014  -3.13947
   D102      -0.00587   0.00005  -0.00069   0.00056  -0.00013  -0.00599
   D103      -0.02494  -0.00001  -0.00014  -0.00000  -0.00014  -0.02508
   D104       3.11343  -0.00001  -0.00024   0.00010  -0.00014   3.11329
   D105       3.12191   0.00001  -0.00028   0.00001  -0.00026   3.12165
   D106      -0.02291   0.00001  -0.00038   0.00012  -0.00026  -0.02317
   D107       0.00384  -0.00001   0.00025  -0.00030  -0.00004   0.00380
   D108      -3.13810  -0.00000   0.00030  -0.00024   0.00006  -3.13803
   D109      -3.13453  -0.00001   0.00036  -0.00040  -0.00004  -3.13457
   D110       0.00672   0.00000   0.00041  -0.00034   0.00007   0.00679
   D111       0.01801   0.00001  -0.00022   0.00029   0.00007   0.01808
   D112      -3.11514   0.00003  -0.00006   0.00011   0.00005  -3.11509
   D113      -3.12325  -0.00000  -0.00027   0.00023  -0.00004  -3.12328
   D114       0.02679   0.00002  -0.00011   0.00006  -0.00005   0.02674
   D115      -2.17636   0.00001  -0.00045   0.00080   0.00035  -2.17602
   D116       0.94772   0.00003   0.00017   0.00119   0.00136   0.94907
   D117       0.96488   0.00002  -0.00040   0.00085   0.00045   0.96534
   D118      -2.19423   0.00004   0.00022   0.00124   0.00146  -2.19276
   D119       3.14109   0.00000   0.00009   0.00009   0.00018   3.14127
   D120      -0.04250   0.00001  -0.00028   0.00040   0.00013  -0.04238
   D121      -0.00197  -0.00000  -0.00008  -0.00001  -0.00009  -0.00206
   D122       3.09763   0.00000  -0.00044   0.00030  -0.00014   3.09749
   D123      -3.14005  -0.00000  -0.00010  -0.00009  -0.00018  -3.14023
   D124      -0.03482  -0.00000  -0.00015   0.00006  -0.00009  -0.03491
   D125       0.00301   0.00000   0.00007   0.00002   0.00008   0.00309
   D126       3.10824   0.00000   0.00001   0.00016   0.00017   3.10841
   D127       3.12864  -0.00001   0.00021  -0.00037  -0.00016   3.12848
   D128       0.02539  -0.00001   0.00015  -0.00041  -0.00026   0.02513
   D129      -0.00258   0.00000   0.00014  -0.00012   0.00002  -0.00256
   D130      -3.10582   0.00000   0.00009  -0.00017  -0.00008  -3.10590
   D131      -3.12989   0.00001  -0.00017   0.00033   0.00016  -3.12973
   D132       0.05533   0.00001  -0.00009   0.00025   0.00016   0.05549
   D133       0.00125  -0.00000  -0.00011   0.00009  -0.00002   0.00123
   D134      -3.09671  -0.00000  -0.00002  -0.00000  -0.00003  -3.09673
   D135       3.12525   0.00002   0.00045   0.00028   0.00073   3.12597
   D136       0.01301   0.00001   0.00039   0.00016   0.00055   0.01357
   D137      -0.00137  -0.00000  -0.00008  -0.00006  -0.00014  -0.00151
   D138      -3.11360  -0.00001  -0.00014  -0.00017  -0.00031  -3.11392
   D139      -3.12634  -0.00001  -0.00046  -0.00027  -0.00073  -3.12707
   D140       0.04752  -0.00002  -0.00042  -0.00050  -0.00092   0.04660
   D141       0.00028   0.00000   0.00007   0.00006   0.00013   0.00042
   D142      -3.10904  -0.00000   0.00011  -0.00017  -0.00006  -3.10910
   D143       0.00286  -0.00000  -0.00012   0.00011  -0.00001   0.00284
   D144      -3.12777  -0.00000  -0.00011   0.00004  -0.00006  -3.12783
   D145       3.10964   0.00000  -0.00008   0.00015   0.00008   3.10972
   D146      -0.02098   0.00000  -0.00006   0.00009   0.00003  -0.02095
   D147       3.11941   0.00000   0.00009  -0.00002   0.00007   3.11948
   D148      -0.01146   0.00000   0.00008  -0.00004   0.00004  -0.01143
   D149       0.02045  -0.00000   0.00003  -0.00007  -0.00005   0.02040
   D150      -3.11043  -0.00000   0.00002  -0.00010  -0.00008  -3.11050
   D151      -0.00206   0.00000   0.00006  -0.00006   0.00000  -0.00206
   D152       3.12359   0.00000   0.00014  -0.00004   0.00011   3.12370
   D153       3.12637   0.00000   0.00004   0.00002   0.00006   3.12643
   D154      -0.03116   0.00000   0.00012   0.00004   0.00017  -0.03100
   D155       0.00630  -0.00000  -0.00001  -0.00000  -0.00001   0.00629
   D156      -3.14144   0.00000   0.00008  -0.00002   0.00006  -3.14138
   D157      -3.12082  -0.00000   0.00002  -0.00009  -0.00008  -3.12090
   D158       0.01462  -0.00000   0.00010  -0.00011  -0.00000   0.01462
   D159       0.00052   0.00000   0.00003  -0.00002   0.00001   0.00053
   D160       3.10267   0.00000  -0.00005   0.00006   0.00002   3.10269
   D161      -3.12778   0.00000  -0.00004  -0.00003  -0.00008  -3.12786
   D162      -0.02563   0.00000  -0.00012   0.00005  -0.00007  -0.02570
   D163      -3.11604  -0.00000  -0.00003  -0.00001  -0.00005  -3.11609
   D164       0.01922  -0.00000  -0.00004  -0.00005  -0.00009   0.01914
   D165       0.00802   0.00000   0.00006   0.00001   0.00007   0.00809
   D166      -3.13990   0.00000   0.00005  -0.00002   0.00003  -3.13987
   D167       3.11737   0.00000   0.00005  -0.00000   0.00005   3.11741
   D168      -0.00949  -0.00000  -0.00029   0.00022  -0.00007  -0.00957
   D169       0.02420  -0.00000   0.00014  -0.00010   0.00004   0.02424
   D170      -3.10266  -0.00000  -0.00020   0.00012  -0.00008  -3.10274
   D171       0.00020   0.00000   0.00006  -0.00000   0.00006   0.00026
   D172       3.12748   0.00000  -0.00018   0.00012  -0.00006   3.12742
   D173      -3.10341  -0.00000   0.00039  -0.00028   0.00011  -3.10330
   D174       0.02387  -0.00000   0.00015  -0.00016  -0.00001   0.02386
   D175      -3.11813  -0.00000   0.00027  -0.00020   0.00007  -3.11807
   D176       0.01226  -0.00000   0.00006  -0.00005   0.00001   0.01227
   D177      -0.02315   0.00000  -0.00013   0.00014   0.00001  -0.02314
   D178       3.10725   0.00000  -0.00035   0.00029  -0.00005   3.10720
   D179       0.00162   0.00000  -0.00002   0.00001  -0.00001   0.00161
   D180      -3.12976  -0.00000   0.00014  -0.00013   0.00001  -3.12975
   D181      -3.12284  -0.00000   0.00027  -0.00013   0.00013  -3.12271
   D182       0.02896  -0.00000   0.00043  -0.00028   0.00016   0.02912
   D183      -0.00715  -0.00000  -0.00005   0.00006   0.00001  -0.00714
   D184       3.14103   0.00000   0.00004  -0.00002   0.00002   3.14105
   D185       3.11559  -0.00000  -0.00037   0.00022  -0.00015   3.11545
   D186      -0.01941   0.00000  -0.00028   0.00014  -0.00014  -0.01955
   D187      -0.00285  -0.00000  -0.00003  -0.00002  -0.00005  -0.00289
   D188      -3.11164  -0.00000   0.00002  -0.00015  -0.00013  -3.11177
   D189       3.13022  -0.00000  -0.00016   0.00010  -0.00006   3.13015
   D190       0.02142  -0.00000  -0.00012  -0.00003  -0.00014   0.02128
   D191       3.12580   0.00000  -0.00001   0.00013   0.00012   3.12592
   D192      -0.01262   0.00000  -0.00003   0.00008   0.00005  -0.01257
   D193      -0.00455   0.00000   0.00017  -0.00003   0.00014  -0.00441
   D194       3.14021   0.00000   0.00015  -0.00008   0.00008   3.14028
   D195      -3.12448  -0.00000   0.00010  -0.00014  -0.00004  -3.12452
   D196       0.01027  -0.00000  -0.00012   0.00004  -0.00008   0.01019
   D197      -0.02320   0.00000   0.00004   0.00002   0.00006  -0.02314
   D198       3.11155   0.00000  -0.00018   0.00020   0.00002   3.11157
   D199       0.00189   0.00000   0.00005   0.00003   0.00008   0.00198
   D200      -3.13070   0.00000   0.00007  -0.00005   0.00003  -3.13068
   D201       3.11687   0.00000   0.00011   0.00014   0.00024   3.11711
   D202      -0.01572   0.00000   0.00013   0.00006   0.00019  -0.01554
   D203       3.12350   0.00000   0.00009  -0.00000   0.00008   3.12358
   D204      -0.01414   0.00000  -0.00004   0.00006   0.00002  -0.01412
   D205       0.01452  -0.00000   0.00002  -0.00013  -0.00011   0.01441
   D206      -3.12312  -0.00000  -0.00011  -0.00007  -0.00017  -3.12329
   D207      -0.00169   0.00000  -0.00001   0.00001  -0.00000  -0.00169
   D208       3.12739   0.00000  -0.00016   0.00011  -0.00005   3.12734
   D209       3.12909   0.00000  -0.00003   0.00010   0.00007   3.12916
   D210      -0.02501   0.00000  -0.00018   0.00020   0.00002  -0.02499
   D211       0.00549  -0.00000  -0.00022   0.00008  -0.00014   0.00535
   D212      -3.14042  -0.00000  -0.00006  -0.00000  -0.00006  -3.14048
   D213      -3.12422  -0.00001  -0.00019  -0.00002  -0.00022  -3.12444
   D214       0.01306  -0.00000  -0.00004  -0.00010  -0.00014   0.01292
   D215       0.00088  -0.00000  -0.00004  -0.00004  -0.00008   0.00080
   D216       3.11322   0.00000  -0.00007   0.00017   0.00009   3.11332
   D217      -3.13030  -0.00000   0.00009  -0.00013  -0.00004  -3.13035
   D218      -0.01796   0.00000   0.00005   0.00008   0.00013  -0.01783
   D219      -3.12248  -0.00000   0.00015  -0.00014   0.00002  -3.12247
   D220       0.01387  -0.00000   0.00014  -0.00008   0.00006   0.01393
   D221       0.00535   0.00000  -0.00001  -0.00002  -0.00003   0.00532
   D222      -3.14148   0.00000  -0.00003   0.00004   0.00001  -3.14147
   D223       3.12324   0.00000  -0.00009   0.00017   0.00008   3.12332
   D224      -0.00974   0.00000  -0.00014   0.00016   0.00002  -0.00972
   D225       0.01748  -0.00000  -0.00005  -0.00009  -0.00014   0.01735
   D226      -3.11550  -0.00000  -0.00010  -0.00010  -0.00019  -3.11569
   D227       0.00985  -0.00000  -0.00003  -0.00001  -0.00004   0.00981
   D228      -3.14065   0.00000   0.00014  -0.00009   0.00004  -3.14061
   D229      -3.12540  -0.00000  -0.00003   0.00003   0.00000  -3.12540
   D230       0.00728   0.00000   0.00014  -0.00006   0.00008   0.00737
   D231      -0.01110   0.00000   0.00006  -0.00005   0.00001  -0.01110
   D232       3.12179   0.00000  -0.00004  -0.00003  -0.00006   3.12172
   D233       3.13937  -0.00000  -0.00011   0.00003  -0.00007   3.13930
   D234      -0.01092  -0.00000  -0.00020   0.00006  -0.00014  -0.01106
   D235      -0.00593  -0.00000  -0.00011   0.00010  -0.00001  -0.00594
   D236       3.12102   0.00000   0.00023  -0.00012   0.00011   3.12113
   D237      -3.13886  -0.00000  -0.00002   0.00008   0.00006  -3.13880
   D238      -0.01191   0.00000   0.00032  -0.00014   0.00018  -0.01173
   D239      -0.00590   0.00000   0.00007  -0.00002   0.00005  -0.00585
   D240       3.14115   0.00000   0.00003   0.00001   0.00004   3.14119
   D241       3.12502   0.00000   0.00008   0.00000   0.00008   3.12511
   D242      -0.01110   0.00000   0.00004   0.00003   0.00007  -0.01103
   D243      -0.00824  -0.00000  -0.00014   0.00010  -0.00004  -0.00827
   D244       3.14046   0.00000   0.00006  -0.00003   0.00002   3.14048
   D245       3.12787  -0.00000  -0.00010   0.00008  -0.00002   3.12784
   D246      -0.00662   0.00000   0.00010  -0.00006   0.00004  -0.00659
   D247       0.00789   0.00000   0.00010  -0.00009   0.00001   0.00791
   D248      -3.12754   0.00000   0.00001  -0.00007  -0.00006  -3.12760
   D249      -3.14082  -0.00000  -0.00010   0.00005  -0.00005  -3.14087
   D250       0.00693  -0.00000  -0.00018   0.00006  -0.00012   0.00681
   D251      -0.00956  -0.00000  -0.00014   0.00009  -0.00005  -0.00962
   D252       3.13584   0.00000   0.00014  -0.00013   0.00001   3.13586
   D253       3.12886   0.00000  -0.00013   0.00014   0.00001   3.12887
   D254      -0.00892   0.00000   0.00015  -0.00008   0.00007  -0.00885
   D255       0.00753  -0.00000   0.00006  -0.00010  -0.00003   0.00750
   D256      -3.13698   0.00000   0.00003  -0.00011  -0.00008  -3.13705
   D257      -3.13787  -0.00000  -0.00021   0.00012  -0.00010  -3.13796
   D258       0.00081  -0.00000  -0.00025   0.00010  -0.00014   0.00067
   D259       0.00881   0.00000  -0.00001   0.00004   0.00003   0.00884
   D260      -3.12600   0.00000   0.00020  -0.00014   0.00007  -3.12593
   D261      -3.12989  -0.00000   0.00002   0.00005   0.00007  -3.12981
   D262       0.01849  -0.00000   0.00024  -0.00012   0.00011   0.01860
   D263       0.00645  -0.00000   0.00003  -0.00003  -0.00000   0.00644
   D264      -3.14018  -0.00000  -0.00001   0.00001   0.00000  -3.14018
   D265      -3.12402  -0.00000   0.00024  -0.00018   0.00005  -3.12397
   D266       0.01254   0.00000   0.00020  -0.00014   0.00006   0.01260
   D267       0.00971  -0.00000   0.00007  -0.00006   0.00001   0.00971
   D268      -3.13971   0.00000   0.00005  -0.00004   0.00001  -3.13970
   D269      -3.12683  -0.00000   0.00011  -0.00011  -0.00000  -3.12683
   D270       0.00694  -0.00000   0.00009  -0.00009   0.00000   0.00694
   D271      -0.00919   0.00000  -0.00006   0.00005  -0.00001  -0.00919
   D272       3.12580   0.00000  -0.00015   0.00013  -0.00002   3.12579
   D273       3.14025   0.00000  -0.00004   0.00002  -0.00001   3.14024
   D274      -0.00794  -0.00000  -0.00013   0.00010  -0.00002  -0.00797
   D275       0.00690  -0.00000  -0.00003  -0.00002  -0.00006   0.00684
   D276      -3.14066   0.00000  -0.00000  -0.00002  -0.00002  -3.14068
   D277      -3.12945  -0.00000  -0.00001  -0.00009  -0.00010  -3.12955
   D278       0.00618  -0.00000   0.00002  -0.00008  -0.00006   0.00612
   D279      -0.00723   0.00000   0.00004   0.00001   0.00005  -0.00718
   D280       3.12984   0.00000   0.00016  -0.00002   0.00014   3.12998
   D281       3.14031  -0.00000   0.00001   0.00001   0.00001   3.14033
   D282      -0.00580   0.00000   0.00012  -0.00002   0.00010  -0.00570
   D283      -0.00494   0.00000   0.00000   0.00004   0.00004  -0.00490
   D284       3.12807   0.00000   0.00005   0.00005   0.00010   3.12817
   D285       3.14115  -0.00000  -0.00012   0.00007  -0.00004   3.14111
   D286      -0.00902  -0.00000  -0.00007   0.00008   0.00001  -0.00901
   D287      -0.00356  -0.00000  -0.00007   0.00007   0.00000  -0.00356
   D288       3.13953  -0.00000  -0.00009   0.00008  -0.00001   3.13952
   D289       3.13410   0.00000   0.00006   0.00001   0.00006   3.13416
   D290      -0.00600   0.00000   0.00004   0.00001   0.00005  -0.00595
   D291      -0.00630  -0.00000  -0.00003   0.00006   0.00003  -0.00627
   D292       3.13856   0.00000   0.00015  -0.00004   0.00010   3.13867
   D293       3.13379  -0.00000  -0.00000   0.00006   0.00005   3.13384
   D294      -0.00453   0.00000   0.00017  -0.00005   0.00012  -0.00441
   D295       0.00521   0.00000   0.00017  -0.00014   0.00004   0.00525
   D296      -3.13206  -0.00000   0.00001  -0.00006  -0.00004  -3.13210
   D297      -3.13966   0.00000  -0.00000  -0.00003  -0.00003  -3.13970
   D298       0.00625  -0.00000  -0.00016   0.00005  -0.00011   0.00614
   D299       1.78887   0.00116  -0.00066   0.00046  -0.00020   1.78866
   D300      -0.46749   0.00015  -0.00100   0.00090  -0.00010  -0.46759
   D301      -2.70705   0.00057  -0.00030   0.00034   0.00004  -2.70701
   D302       3.10382   0.00023   0.00237  -0.00015   0.00222   3.10604
   D303      -1.01291   0.00010   0.00255  -0.00028   0.00227  -1.01064
   D304       1.21703  -0.00034   0.00209  -0.00006   0.00203   1.21906
   D305      -2.16318  -0.00011  -0.00959   0.00265  -0.00694  -2.17012
   D306      -0.01757  -0.00033  -0.01045   0.00211  -0.00834  -0.02591
   D307       2.02120  -0.00012  -0.00991   0.00273  -0.00719   2.01401
   D308       1.53547   0.00001   0.00044   0.00098   0.00143   1.53690
   D309      -2.64135   0.00001   0.00056   0.00079   0.00134  -2.64001
   D310      -0.62795   0.00003   0.00104   0.00054   0.00158  -0.62637
   D311      -3.05515   0.00055  -0.00247  -0.00039  -0.00286  -3.05801
   D312      -0.96994   0.00057  -0.00237  -0.00026  -0.00263  -0.97257
   D313       1.14875   0.00056  -0.00242  -0.00020  -0.00263   1.14612
   D314       1.11472  -0.00054  -0.00164  -0.00066  -0.00230   1.11242
   D315      -3.08326  -0.00052  -0.00155  -0.00053  -0.00207  -3.08533
   D316      -0.96457  -0.00053  -0.00160  -0.00047  -0.00207  -0.96664
   D317      -1.02654  -0.00007  -0.00212  -0.00040  -0.00252  -1.02907
   D318       1.05867  -0.00005  -0.00203  -0.00027  -0.00230   1.05637
   D319      -3.10583  -0.00006  -0.00208  -0.00022  -0.00229  -3.10812
   D320      -1.05193  -0.00105   0.00898  -0.00074   0.00824  -1.04369
   D321       1.06469  -0.00081   0.00788  -0.00114   0.00674   1.07143
   D322      -3.04985  -0.00099   0.00838  -0.00144   0.00694  -3.04291
   D323       3.09419  -0.00000   0.00178  -0.00122   0.00056   3.09476
   D324      -1.09476  -0.00001   0.00131  -0.00100   0.00030  -1.09445
   D325       1.01455  -0.00001   0.00162  -0.00116   0.00046   1.01501
   D326       1.06300   0.00002   0.00204  -0.00115   0.00088   1.06388
   D327      -3.12595   0.00000   0.00156  -0.00093   0.00062  -3.12533
   D328      -1.01665   0.00001   0.00187  -0.00109   0.00078  -1.01587
   D329      -1.05213   0.00000   0.00120  -0.00061   0.00059  -1.05154
   D330       1.04211  -0.00001   0.00072  -0.00040   0.00032   1.04243
   D331      -3.13177  -0.00000   0.00104  -0.00056   0.00048  -3.13129
         Item               Value     Threshold  Converged?
 Maximum Force            0.003489     0.000450     NO 
 RMS     Force            0.000207     0.000300     YES
 Maximum Displacement     0.032360     0.001800     NO 
 RMS     Displacement     0.002687     0.001200     NO 
 Predicted change in Energy=-6.332179D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.594022    3.246936    0.119295
      2          6           0       -2.753358    1.866507    0.261245
      3          6           0       -1.649904    1.005978    0.211910
      4          6           0       -0.358860    1.558574    0.083507
      5          6           0       -0.206809    2.942268   -0.077599
      6          6           0       -1.310010    3.782740   -0.073925
      7          6           0       -1.785042   -0.462612    0.171882
      8          6           0       -0.654082   -1.286524    0.395508
      9          6           0        0.629478   -0.642427    0.826887
     10          6           0        0.825396    0.688833    0.156620
     11          6           0       -2.990679   -1.053108   -0.224806
     12          6           0       -3.085684   -2.425844   -0.458805
     13          6           0       -1.941171   -3.220826   -0.330440
     14          6           0       -0.747184   -2.650195    0.089153
     15          7           0        1.788383   -1.464647    0.910978
     16          6           0        3.037980   -0.959587    0.440696
     17          6           0        3.079457    0.325678   -0.147506
     18          7           0        1.959098    1.127783   -0.269773
     19          6           0        4.231151   -1.698592    0.485091
     20          6           0        5.418419   -1.171229   -0.007196
     21          6           0        5.458833    0.103678   -0.591384
     22          6           0        4.280659    0.835776   -0.664423
     23          7           0       -3.724417    4.097990    0.161570
     24          7           0       -4.313813   -2.995965   -0.870835
     25          7           0        6.675915    0.629436   -1.094188
     26          6           0       -4.945930   -4.093486   -0.268376
     27          6           0       -6.159560   -4.355915   -0.951649
     28          6           0       -6.264866   -3.378243   -2.015138
     29          6           0       -5.112219   -2.556384   -1.936456
     30          6           0       -3.857879    5.247346    0.955391
     31          6           0       -5.129923    5.825098    0.716622
     32          6           0       -5.795537    4.991130   -0.262469
     33          6           0       -4.904127    3.936032   -0.580965
     34          6           0        7.255425    1.851002   -0.727019
     35          6           0        8.475460    2.011037   -1.431705
     36          6           0        8.638729    0.836274   -2.262603
     37          6           0        7.512443    0.006877   -2.028736
     38          6           0       -7.212191   -3.144318   -3.018275
     39          6           0       -6.997778   -2.112351   -3.927027
     40          6           0       -5.839723   -1.320902   -3.848331
     41          6           0       -4.881386   -1.531700   -2.858732
     42          6           0       -4.555681   -4.839917    0.846569
     43          6           0       -5.392416   -5.876279    1.255146
     44          6           0       -6.590792   -6.161651    0.579334
     45          6           0       -6.981474   -5.403246   -0.520012
     46          6           0       -7.044045    5.055012   -0.891409
     47          6           0       -7.384566    4.080406   -1.824557
     48          6           0       -6.483402    3.050673   -2.141724
     49          6           0       -5.233611    2.966168   -1.531906
     50          6           0       -2.973788    5.789152    1.892418
     51          6           0       -3.372227    6.939569    2.569873
     52          6           0       -4.621439    7.536045    2.330738
     53          6           0       -5.505383    6.980868    1.410598
     54          6           0        9.616852    0.428756   -3.176951
     55          6           0        9.459496   -0.782524   -3.843874
     56          6           0        8.329900   -1.585067   -3.610879
     57          6           0        7.341535   -1.203567   -2.706102
     58          6           0        6.810255    2.804461    0.192413
     59          6           0        7.599658    3.936064    0.385068
     60          6           0        8.805050    4.117104   -0.314096
     61          6           0        9.248768    3.158295   -1.219699
     62          8           0        0.474112   -3.055253    2.716700
     63         15           0        1.774730   -2.790929    2.074284
     64          8           0        3.003543   -2.512411    3.062676
     65          8           0        2.364547   -3.945499    1.120961
     66          6           0        2.805711   -1.955779    4.405516
     67          6           0        3.638364   -0.698795    4.554551
     68          6           0        2.588624   -5.279038    1.673204
     69          6           0        1.343604   -6.140718    1.561781
     70          1           0       -3.748179    1.474722    0.433613
     71          1           0        0.793386    3.340636   -0.202227
     72          1           0       -1.189829    4.850896   -0.215528
     73          1           0       -3.867266   -0.439460   -0.389624
     74          1           0       -1.984204   -4.273412   -0.586177
     75          1           0        0.131455   -3.277629    0.122097
     76          1           0        4.248522   -2.690206    0.907858
     77          1           0        6.329647   -1.754909    0.064590
     78          1           0        4.251216    1.815150   -1.127386
     79          1           0       -8.100509   -3.765350   -3.089007
     80          1           0       -7.726050   -1.920827   -4.708911
     81          1           0       -5.680416   -0.531928   -4.577546
     82          1           0       -3.982114   -0.927367   -2.818414
     83          1           0       -3.640309   -4.617395    1.383516
     84          1           0       -5.111154   -6.471461    2.118814
     85          1           0       -7.219114   -6.977205    0.923659
     86          1           0       -7.914417   -5.616389   -1.033849
     87          1           0       -7.736357    5.857921   -0.654938
     88          1           0       -8.352278    4.116256   -2.315123
     89          1           0       -6.762262    2.299978   -2.875145
     90          1           0       -4.541932    2.174658   -1.796386
     91          1           0       -2.014160    5.328291    2.096867
     92          1           0       -2.701110    7.379249    3.301682
     93          1           0       -4.900209    8.433207    2.874664
     94          1           0       -6.477164    7.433834    1.236484
     95          1           0       10.485073    1.053482   -3.366306
     96          1           0       10.211922   -1.109632   -4.554758
     97          1           0        8.219811   -2.521860   -4.149195
     98          1           0        6.466884   -1.823089   -2.541497
     99          1           0        5.884948    2.669820    0.741346
    100          1           0        7.273818    4.692344    1.093059
    101          1           0        9.395018    5.012041   -0.142282
    102          1           0       10.185107    3.295163   -1.753087
    103          1           0        1.742482   -1.763934    4.559009
    104          1           0        3.128897   -2.740767    5.094992
    105          1           0        3.557327   -0.331639    5.583048
    106          1           0        4.692396   -0.898202    4.341852
    107          1           0        3.279254    0.083935    3.882505
    108          1           0        3.413469   -5.684037    1.082177
    109          1           0        2.927515   -5.186305    2.709840
    110          1           0        1.558759   -7.145779    1.939751
    111          1           0        0.524736   -5.713360    2.144677
    112          1           0        1.028071   -6.228998    0.518223
    113         17           0        0.304563    0.107385    2.763788
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351511           0.0181718           0.0142758
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10698.1524714033 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000062   -0.000020    0.000029 Ang=  -0.01 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48655920     A.U. after   10 cycles
            NFock= 10  Conv=0.34D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000034527    0.000000006   -0.000003211
      2        6           0.000007334   -0.000005809    0.000029788
      3        6          -0.000035736    0.000031914   -0.000041652
      4        6          -0.000040518    0.000042272   -0.000032590
      5        6           0.000013131    0.000001242    0.000020590
      6        6          -0.000025579    0.000012873   -0.000008516
      7        6           0.000087803   -0.000107184   -0.000034450
      8        6          -0.000378396   -0.000355417   -0.000635062
      9        6          -0.000382947    0.000112651    0.000874717
     10        6           0.000288530    0.000433732   -0.000691704
     11        6          -0.000011397   -0.000021790    0.000030856
     12        6           0.000099098    0.000008897    0.000017407
     13        6          -0.000116143    0.000004096   -0.000034170
     14        6           0.000048375    0.000183335   -0.000001310
     15        7           0.000606885   -0.000581132   -0.000110431
     16        6           0.000046728    0.000037008   -0.000116010
     17        6           0.000266330   -0.000122559   -0.000018853
     18        7          -0.000348797    0.000015432    0.000108096
     19        6          -0.000093657    0.000010777   -0.000011963
     20        6           0.000054827    0.000110362   -0.000008916
     21        6          -0.000014728   -0.000117048    0.000021436
     22        6          -0.000100357   -0.000018869    0.000024521
     23        7          -0.000027745    0.000029817   -0.000005158
     24        7          -0.000071357   -0.000067331   -0.000062905
     25        7           0.000124800    0.000041746    0.000020826
     26        6          -0.000007017    0.000059490    0.000022258
     27        6          -0.000014727    0.000004025   -0.000009046
     28        6          -0.000009953   -0.000010941    0.000003648
     29        6           0.000041394   -0.000022828    0.000025391
     30        6           0.000002743   -0.000028454    0.000009242
     31        6          -0.000013251   -0.000008003    0.000005113
     32        6          -0.000000160    0.000008155   -0.000003227
     33        6           0.000013346    0.000008496   -0.000004525
     34        6          -0.000017612   -0.000071176   -0.000009967
     35        6           0.000019973    0.000004865   -0.000011876
     36        6          -0.000005092    0.000019654   -0.000011201
     37        6          -0.000059438    0.000036166   -0.000016431
     38        6          -0.000003065   -0.000002526   -0.000003205
     39        6          -0.000005908    0.000000322   -0.000002450
     40        6           0.000006644    0.000007438   -0.000002537
     41        6          -0.000001351    0.000006094   -0.000009358
     42        6           0.000016614   -0.000006395    0.000010247
     43        6           0.000003918    0.000002593    0.000005260
     44        6          -0.000001663   -0.000008234   -0.000002901
     45        6          -0.000000454   -0.000005191    0.000000191
     46        6          -0.000007308    0.000001499    0.000000202
     47        6          -0.000006252    0.000000014    0.000003158
     48        6          -0.000002011   -0.000006246    0.000001965
     49        6           0.000007935   -0.000005503   -0.000001911
     50        6           0.000007000    0.000004404    0.000000325
     51        6           0.000003473    0.000001449    0.000004612
     52        6          -0.000000496    0.000002487    0.000005017
     53        6          -0.000000277    0.000005453   -0.000006312
     54        6           0.000009292   -0.000004316    0.000001616
     55        6           0.000004371    0.000003804   -0.000006571
     56        6          -0.000005887   -0.000002275    0.000003002
     57        6           0.000007967   -0.000013973    0.000003636
     58        6           0.000003724    0.000005449    0.000014337
     59        6          -0.000007739   -0.000001270    0.000001989
     60        6           0.000002135    0.000006193   -0.000003733
     61        6           0.000004676    0.000000032    0.000001502
     62        8          -0.000000247   -0.000059943    0.000050370
     63       15           0.000057796    0.000163767   -0.000353599
     64        8           0.000013223    0.000008657    0.000182930
     65        8          -0.000075095   -0.000086058    0.000099603
     66        6           0.000083572    0.000008375   -0.000118173
     67        6          -0.000015692   -0.000023213    0.000021252
     68        6           0.000058284    0.000019094   -0.000017137
     69        6          -0.000003946    0.000011443   -0.000020079
     70        1          -0.000012387   -0.000015563   -0.000013116
     71        1           0.000000814   -0.000006428   -0.000003434
     72        1          -0.000003948   -0.000002919   -0.000000512
     73        1          -0.000009566    0.000012918   -0.000005839
     74        1          -0.000007407   -0.000003775    0.000009088
     75        1          -0.000020697    0.000009728   -0.000011395
     76        1           0.000007480    0.000000180   -0.000011844
     77        1           0.000005409    0.000000185   -0.000005365
     78        1           0.000008751    0.000007427   -0.000000041
     79        1          -0.000002515    0.000000246    0.000001047
     80        1          -0.000000227   -0.000000286   -0.000002110
     81        1          -0.000001468   -0.000001638    0.000004102
     82        1           0.000003077    0.000002891    0.000005354
     83        1          -0.000015793   -0.000004164   -0.000012324
     84        1          -0.000001346   -0.000001642    0.000001260
     85        1          -0.000001088   -0.000001178    0.000000358
     86        1          -0.000002019   -0.000000270    0.000000883
     87        1           0.000002544   -0.000002117   -0.000001671
     88        1           0.000001079    0.000000542   -0.000000501
     89        1           0.000000684    0.000004191   -0.000003976
     90        1           0.000000463    0.000000006    0.000001441
     91        1          -0.000003229    0.000001207   -0.000004961
     92        1           0.000000716    0.000001586    0.000001207
     93        1           0.000000290    0.000000551    0.000000112
     94        1          -0.000000013   -0.000000091    0.000001070
     95        1           0.000001447    0.000000067    0.000000406
     96        1           0.000001435   -0.000000428    0.000000069
     97        1           0.000000647   -0.000000590    0.000000417
     98        1          -0.000002206    0.000001587    0.000004065
     99        1          -0.000004418   -0.000004795   -0.000003989
    100        1           0.000000820    0.000001289    0.000001688
    101        1           0.000000757    0.000001822   -0.000000071
    102        1          -0.000000550    0.000000488    0.000000175
    103        1          -0.000026491   -0.000088942   -0.000006170
    104        1          -0.000005564    0.000004680    0.000012635
    105        1          -0.000008242    0.000022125    0.000001631
    106        1          -0.000032788    0.000025155   -0.000006537
    107        1          -0.000005917    0.000027142   -0.000037596
    108        1           0.000005767    0.000002522    0.000002063
    109        1          -0.000011590    0.000005887    0.000005350
    110        1          -0.000001626    0.000003491    0.000001695
    111        1          -0.000004607   -0.000003682    0.000007367
    112        1          -0.000004565   -0.000001162    0.000002433
    113       17           0.000013630    0.000289864    0.000871572
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000874717 RMS     0.000116590

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004809158 RMS     0.000289549
 Search for a local minimum.
 Step number  45 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   31   32   33   34   35
                                                     36   37   38   39   40
                                                     41   42   43   44   45
 DE=  5.49D-06 DEPred=-6.33D-06 R=-8.68D-01
 Trust test=-8.68D-01 RLast= 2.56D-02 DXMaxT set to 2.69D-01
 ITU= -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1
 ITU= -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1  1
 ITU=  0  0  0  1  0
     Eigenvalues ---    0.00083   0.00260   0.00340   0.00467   0.00576
     Eigenvalues ---    0.00705   0.01345   0.01577   0.01826   0.02284
     Eigenvalues ---    0.02468   0.02486   0.02538   0.02554   0.02580
     Eigenvalues ---    0.02588   0.02603   0.02636   0.02676   0.02681
     Eigenvalues ---    0.02697   0.02702   0.02708   0.02714   0.02740
     Eigenvalues ---    0.02745   0.02771   0.02773   0.02788   0.02795
     Eigenvalues ---    0.02802   0.02805   0.02812   0.02814   0.02823
     Eigenvalues ---    0.02829   0.02843   0.02850   0.02861   0.02869
     Eigenvalues ---    0.02875   0.02883   0.02888   0.02895   0.02897
     Eigenvalues ---    0.02900   0.02907   0.02909   0.02914   0.02918
     Eigenvalues ---    0.02921   0.02928   0.02931   0.02944   0.02947
     Eigenvalues ---    0.02950   0.02951   0.02954   0.02955   0.02956
     Eigenvalues ---    0.02962   0.02965   0.02967   0.02970   0.02976
     Eigenvalues ---    0.02990   0.02991   0.02993   0.02996   0.03000
     Eigenvalues ---    0.03018   0.03021   0.03031   0.03044   0.03055
     Eigenvalues ---    0.03059   0.03063   0.03072   0.03081   0.03089
     Eigenvalues ---    0.03099   0.03113   0.03116   0.03126   0.03138
     Eigenvalues ---    0.03161   0.03164   0.03176   0.03178   0.03206
     Eigenvalues ---    0.03224   0.03238   0.03241   0.03265   0.03289
     Eigenvalues ---    0.03368   0.03564   0.03695   0.05079   0.05236
     Eigenvalues ---    0.05337   0.05509   0.05739   0.05850   0.05907
     Eigenvalues ---    0.05965   0.06164   0.06479   0.08953   0.10008
     Eigenvalues ---    0.11755   0.12121   0.13145   0.13720   0.14136
     Eigenvalues ---    0.15081   0.15621   0.15916   0.15947   0.15961
     Eigenvalues ---    0.15987   0.15993   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16003   0.16005
     Eigenvalues ---    0.16006   0.16011   0.16018   0.16030   0.16051
     Eigenvalues ---    0.16062   0.16091   0.16157   0.16205   0.18107
     Eigenvalues ---    0.19729   0.20303   0.21045   0.21968   0.21986
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22015   0.22117
     Eigenvalues ---    0.22353   0.22441   0.22522   0.22580   0.22600
     Eigenvalues ---    0.22605   0.22614   0.22658   0.22700   0.22825
     Eigenvalues ---    0.23242   0.23447   0.23465   0.23802   0.23999
     Eigenvalues ---    0.24265   0.24395   0.24476   0.24492   0.24524
     Eigenvalues ---    0.24533   0.24547   0.24718   0.24791   0.24801
     Eigenvalues ---    0.24913   0.24965   0.24975   0.24977   0.24983
     Eigenvalues ---    0.24985   0.24991   0.25002   0.25039   0.25096
     Eigenvalues ---    0.25158   0.25684   0.25885   0.26540   0.27061
     Eigenvalues ---    0.27161   0.27993   0.28665   0.28743   0.28852
     Eigenvalues ---    0.29112   0.29340   0.29362   0.29675   0.30049
     Eigenvalues ---    0.30414   0.30650   0.30709   0.30825   0.31002
     Eigenvalues ---    0.31052   0.31148   0.31258   0.31401   0.31478
     Eigenvalues ---    0.31548   0.31703   0.32134   0.32232   0.32462
     Eigenvalues ---    0.33131   0.33280   0.33526   0.33957   0.33991
     Eigenvalues ---    0.34399   0.34495   0.34668   0.34756   0.34937
     Eigenvalues ---    0.35153   0.35199   0.35502   0.35580   0.36052
     Eigenvalues ---    0.36391   0.36777   0.37170   0.37309   0.38973
     Eigenvalues ---    0.39317   0.41502   0.41775   0.42102   0.42379
     Eigenvalues ---    0.42764   0.43452   0.43664   0.45290   0.45997
     Eigenvalues ---    0.47062   0.47099   0.47112   0.47249   0.47665
     Eigenvalues ---    0.47881   0.49483   0.49873   0.50097   0.50440
     Eigenvalues ---    0.50593   0.51242   0.51644   0.51812   0.52043
     Eigenvalues ---    0.52146   0.52298   0.52648   0.53105   0.53227
     Eigenvalues ---    0.53413   0.53790   0.54291   0.54347   0.55043
     Eigenvalues ---    0.55145   0.55397   0.55614   0.55699   0.55999
     Eigenvalues ---    0.56180   0.56317   0.56471   0.56616   0.56829
     Eigenvalues ---    0.56959   0.57154   0.57761   0.57876   0.58231
     Eigenvalues ---    0.58285   0.58294   0.58336   0.58508   0.58658
     Eigenvalues ---    0.58893   0.58946   0.59426   0.59706   0.59805
     Eigenvalues ---    0.60064   0.60542   0.60882   0.61398   0.62009
     Eigenvalues ---    0.63239   0.63501   0.64214   0.65003   0.65121
     Eigenvalues ---    0.65850   0.66725   0.67790   0.68855   0.72060
     Eigenvalues ---    0.73048   0.74546   0.77677   0.80576   0.81371
     Eigenvalues ---    0.85417   1.37127   6.84124
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    45   44   43   42   41   40   39   38   37   36
 RFO step:  Lambda=-3.89274924D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 DidBck=F Rises=T En-DIIS coefs:    1.00000    0.00000    0.00000    0.00000    0.00000
                  En-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01565881 RMS(Int)=  0.00015512
 Iteration  2 RMS(Cart)=  0.00038847 RMS(Int)=  0.00000140
 Iteration  3 RMS(Cart)=  0.00000022 RMS(Int)=  0.00000138
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63962   0.00002   0.00000   0.00020   0.00020   2.63982
    R2        2.65445  -0.00001   0.00000   0.00016   0.00016   2.65460
    R3        2.67506   0.00003   0.00000  -0.00031  -0.00031   2.67475
    R4        2.64599  -0.00000   0.00000  -0.00028  -0.00028   2.64571
    R5        2.04656   0.00002   0.00000  -0.00004  -0.00004   2.04652
    R6        2.66488   0.00008   0.00000  -0.00015  -0.00015   2.66473
    R7        2.78798   0.00009   0.00000   0.00011   0.00011   2.78810
    R8        2.64810   0.00001   0.00000   0.00002   0.00002   2.64812
    R9        2.78005   0.00008   0.00000  -0.00044  -0.00044   2.77961
   R10        2.62084   0.00002   0.00000   0.00008   0.00008   2.62092
   R11        2.04808  -0.00000   0.00000   0.00003   0.00003   2.04811
   R12        2.04881  -0.00000   0.00000  -0.00011  -0.00011   2.04870
   R13        2.67776  -0.00005   0.00000  -0.00024  -0.00024   2.67751
   R14        2.64535   0.00002   0.00000  -0.00017  -0.00017   2.64518
   R15        2.83363   0.00061   0.00000   0.00237   0.00237   2.83600
   R16        2.64705  -0.00011   0.00000  -0.00038  -0.00038   2.64666
   R17        2.84082   0.00051   0.00000   0.00084   0.00085   2.84166
   R18        2.68991   0.00073   0.00000   0.00236   0.00236   2.69227
   R19        2.43457  -0.00025   0.00000  -0.00022  -0.00022   2.43435
   R20        2.63763  -0.00002   0.00000   0.00007   0.00007   2.63770
   R21        2.04591   0.00001   0.00000   0.00007   0.00007   2.04599
   R22        2.64453  -0.00007   0.00000  -0.00011  -0.00011   2.64441
   R23        2.67455   0.00009   0.00000   0.00017   0.00017   2.67472
   R24        2.62344   0.00010   0.00000   0.00028   0.00028   2.62372
   R25        2.04858   0.00000   0.00000  -0.00004  -0.00004   2.04854
   R26        2.04122  -0.00002   0.00000  -0.00001  -0.00001   2.04121
   R27        2.69758   0.00016   0.00000  -0.00010  -0.00010   2.69748
   R28        3.33390   0.00015   0.00000  -0.00176  -0.00176   3.33215
   R29        2.67221   0.00000   0.00000   0.00006   0.00005   2.67227
   R30        2.65354  -0.00001   0.00000  -0.00013  -0.00013   2.65341
   R31        2.61406   0.00020   0.00000  -0.00023  -0.00024   2.61383
   R32        2.65255  -0.00004   0.00000  -0.00023  -0.00023   2.65232
   R33        2.62534   0.00006   0.00000   0.00026   0.00026   2.62559
   R34        2.03734  -0.00000   0.00000  -0.00023  -0.00023   2.03711
   R35        2.65121  -0.00011   0.00000  -0.00032  -0.00032   2.65089
   R36        2.04944   0.00000   0.00000   0.00001   0.00001   2.04945
   R37        2.62488   0.00004   0.00000   0.00015   0.00015   2.62503
   R38        2.67950   0.00008   0.00000   0.00005   0.00005   2.67954
   R39        2.04787   0.00001   0.00000   0.00007   0.00007   2.04794
   R40        2.65167  -0.00001   0.00000   0.00028   0.00028   2.65196
   R41        2.65189  -0.00001   0.00000   0.00041   0.00041   2.65230
   R42        2.65039  -0.00001   0.00000  -0.00011  -0.00011   2.65028
   R43        2.64982  -0.00003   0.00000  -0.00008  -0.00008   2.64974
   R44        2.64755  -0.00005   0.00000   0.00021   0.00021   2.64777
   R45        2.64612  -0.00002   0.00000  -0.00004  -0.00004   2.64608
   R46        2.67824   0.00002   0.00000  -0.00001  -0.00001   2.67822
   R47        2.64059   0.00001   0.00000   0.00000   0.00000   2.64059
   R48        2.73713  -0.00001   0.00000   0.00004   0.00004   2.73717
   R49        2.64478   0.00001   0.00000   0.00003   0.00003   2.64480
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   D50        2.99832  -0.00001   0.00000  -0.00015  -0.00015   2.99817
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   D52       -0.04016  -0.00002   0.00000  -0.00168  -0.00168  -0.04184
   D53        0.75363   0.00014   0.00000   0.00696   0.00696   0.76059
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   D59        0.06166  -0.00001   0.00000   0.00306   0.00306   0.06472
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   D73        0.94556   0.00003   0.00000  -0.00163  -0.00163   0.94393
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   D169       0.02424  -0.00000   0.00000   0.00052   0.00052   0.02476
   D170      -3.10274  -0.00000   0.00000  -0.00009  -0.00009  -3.10283
   D171       0.00026  -0.00000   0.00000   0.00003   0.00003   0.00029
   D172       3.12742   0.00000   0.00000  -0.00065  -0.00065   3.12677
   D173      -3.10330  -0.00000   0.00000   0.00134   0.00134  -3.10196
   D174       0.02386  -0.00000   0.00000   0.00066   0.00066   0.02452
   D175      -3.11807  -0.00000   0.00000   0.00090   0.00090  -3.11717
   D176       0.01227   0.00000   0.00000   0.00036   0.00036   0.01263
   D177      -0.02314   0.00000   0.00000  -0.00072  -0.00072  -0.02386
   D178       3.10720   0.00000   0.00000  -0.00125  -0.00125   3.10594
   D179       0.00161   0.00000   0.00000  -0.00003  -0.00003   0.00158
   D180      -3.12975  -0.00000   0.00000   0.00041   0.00041  -3.12934
   D181      -3.12271  -0.00000   0.00000   0.00079   0.00079  -3.12192
   D182       0.02912  -0.00000   0.00000   0.00122   0.00122   0.03034
   D183      -0.00714  -0.00000   0.00000  -0.00010  -0.00010  -0.00724
   D184       3.14105  -0.00000   0.00000   0.00008   0.00008   3.14113
   D185       3.11545   0.00000   0.00000  -0.00100  -0.00100   3.11445
   D186      -0.01955   0.00000   0.00000  -0.00082  -0.00082  -0.02037
   D187      -0.00289  -0.00000   0.00000   0.00001   0.00001  -0.00288
   D188      -3.11177  -0.00000   0.00000   0.00023   0.00023  -3.11154
   D189       3.13015   0.00000   0.00000  -0.00035  -0.00035   3.12980
   D190       0.02128  -0.00000   0.00000  -0.00014  -0.00014   0.02114
   D191       3.12592   0.00000   0.00000  -0.00019  -0.00019   3.12573
   D192      -0.01257   0.00000   0.00000  -0.00015  -0.00015  -0.01272
   D193      -0.00441  -0.00000   0.00000   0.00029   0.00029  -0.00412
   D194       3.14028   0.00000   0.00000   0.00033   0.00033   3.14061
   D195      -3.12452  -0.00000   0.00000   0.00025   0.00025  -3.12427
   D196       0.01019  -0.00000   0.00000  -0.00031  -0.00031   0.00988
   D197      -0.02314   0.00000   0.00000  -0.00002  -0.00002  -0.02316
   D198       3.11157  -0.00000   0.00000  -0.00058  -0.00058   3.11099
   D199       0.00198   0.00000   0.00000  -0.00035  -0.00035   0.00162
   D200      -3.13068  -0.00000   0.00000  -0.00028  -0.00028  -3.13095
   D201       3.11711   0.00000   0.00000  -0.00023  -0.00023   3.11688
   D202      -0.01554   0.00000   0.00000  -0.00015  -0.00015  -0.01569
   D203       3.12358   0.00000   0.00000   0.00030   0.00030   3.12388
   D204      -0.01412  -0.00000   0.00000   0.00037   0.00037  -0.01375
   D205       0.01441   0.00000   0.00000   0.00015   0.00015   0.01456
   D206      -3.12329  -0.00000   0.00000   0.00023   0.00023  -3.12307
   D207      -0.00169   0.00000   0.00000  -0.00004  -0.00004  -0.00173
   D208       3.12734   0.00000   0.00000  -0.00066  -0.00066   3.12669
   D209       3.12916   0.00000   0.00000  -0.00013  -0.00013   3.12903
   D210      -0.02499   0.00000   0.00000  -0.00075  -0.00075  -0.02574
   D211       0.00535  -0.00000   0.00000   0.00001   0.00001   0.00535
   D212      -3.14048   0.00000   0.00000  -0.00001  -0.00001  -3.14049
   D213      -3.12444  -0.00000   0.00000   0.00011   0.00011  -3.12433
   D214       0.01292  -0.00000   0.00000   0.00009   0.00009   0.01301
   D215       0.00080  -0.00000   0.00000   0.00042   0.00042   0.00122
   D216       3.11332   0.00000   0.00000  -0.00062  -0.00062   3.11270
   D217      -3.13035  -0.00000   0.00000   0.00094   0.00094  -3.12941
   D218      -0.01783   0.00000   0.00000  -0.00010  -0.00010  -0.01793
   D219      -3.12247  -0.00000   0.00000   0.00055   0.00055  -3.12192
   D220       0.01393  -0.00000   0.00000   0.00038   0.00038   0.01431
   D221       0.00532   0.00000   0.00000  -0.00013  -0.00013   0.00518
   D222      -3.14147   0.00000   0.00000  -0.00030  -0.00030   3.14141
   D223       3.12332   0.00000   0.00000  -0.00102  -0.00102   3.12230
   D224      -0.00972   0.00000   0.00000  -0.00107  -0.00107  -0.01078
   D225       0.01735  -0.00000   0.00000   0.00026   0.00026   0.01761
   D226      -3.11569  -0.00000   0.00000   0.00021   0.00021  -3.11548
   D227       0.00981  -0.00000   0.00000  -0.00004  -0.00004   0.00977
   D228      -3.14061   0.00000   0.00000   0.00030   0.00030  -3.14031
   D229      -3.12540  -0.00000   0.00000   0.00011   0.00011  -3.12529
   D230       0.00737  -0.00000   0.00000   0.00045   0.00045   0.00782
   D231      -0.01110   0.00000   0.00000   0.00002   0.00002  -0.01107
   D232       3.12172   0.00000   0.00000  -0.00045  -0.00045   3.12127
   D233       3.13930   0.00000   0.00000  -0.00032  -0.00032   3.13898
   D234      -0.01106   0.00000   0.00000  -0.00079  -0.00079  -0.01186
   D235      -0.00594  -0.00000   0.00000  -0.00026  -0.00026  -0.00619
   D236       3.12113   0.00000   0.00000   0.00035   0.00035   3.12148
   D237      -3.13880  -0.00000   0.00000   0.00022   0.00022  -3.13858
   D238      -0.01173   0.00000   0.00000   0.00083   0.00083  -0.01090
   D239      -0.00585   0.00000   0.00000  -0.00002  -0.00002  -0.00587
   D240       3.14119   0.00000   0.00000  -0.00012  -0.00012   3.14107
   D241       3.12511   0.00000   0.00000   0.00022   0.00022   3.12533
   D242      -0.01103   0.00000   0.00000   0.00012   0.00012  -0.01092
   D243      -0.00827  -0.00000   0.00000  -0.00004  -0.00004  -0.00831
   D244       3.14048  -0.00000   0.00000   0.00018   0.00018   3.14066
   D245       3.12784  -0.00000   0.00000   0.00006   0.00006   3.12791
   D246      -0.00659   0.00000   0.00000   0.00028   0.00028  -0.00631
   D247       0.00791   0.00000   0.00000   0.00007   0.00007   0.00798
   D248      -3.12760   0.00000   0.00000  -0.00030  -0.00030  -3.12790
   D249      -3.14087  -0.00000   0.00000  -0.00015  -0.00015  -3.14101
   D250       0.00681   0.00000   0.00000  -0.00052  -0.00052   0.00630
   D251      -0.00962  -0.00000   0.00000  -0.00030  -0.00030  -0.00992
   D252       3.13586   0.00000   0.00000   0.00022   0.00022   3.13607
   D253       3.12887  -0.00000   0.00000  -0.00034  -0.00034   3.12853
   D254      -0.00885   0.00000   0.00000   0.00018   0.00018  -0.00867
   D255       0.00750   0.00000   0.00000   0.00015   0.00015   0.00765
   D256      -3.13705   0.00000   0.00000  -0.00036  -0.00036  -3.13742
   D257      -3.13796  -0.00000   0.00000  -0.00037  -0.00037  -3.13834
   D258       0.00067   0.00000   0.00000  -0.00088  -0.00088  -0.00021
   D259       0.00884  -0.00000   0.00000   0.00002   0.00002   0.00886
   D260      -3.12593  -0.00000   0.00000   0.00057   0.00057  -3.12536
   D261      -3.12981  -0.00000   0.00000   0.00052   0.00052  -3.12929
   D262       0.01860  -0.00000   0.00000   0.00108   0.00108   0.01968
   D263       0.00644  -0.00000   0.00000   0.00025   0.00025   0.00670
   D264      -3.14018  -0.00000   0.00000   0.00009   0.00009  -3.14009
   D265      -3.12397  -0.00000   0.00000   0.00078   0.00078  -3.12319
   D266       0.01260  -0.00000   0.00000   0.00061   0.00061   0.01322
   D267       0.00971  -0.00000   0.00000   0.00029   0.00029   0.01001
   D268      -3.13970   0.00000   0.00000   0.00015   0.00015  -3.13955
   D269      -3.12683  -0.00000   0.00000   0.00046   0.00046  -3.12637
   D270       0.00694  -0.00000   0.00000   0.00032   0.00032   0.00726
   D271      -0.00919   0.00000   0.00000  -0.00036  -0.00036  -0.00956
   D272       3.12579   0.00000   0.00000  -0.00054  -0.00054   3.12524
   D273       3.14024   0.00000   0.00000  -0.00022  -0.00022   3.14002
   D274      -0.00797  -0.00000   0.00000  -0.00040  -0.00040  -0.00837
   D275       0.00684  -0.00000   0.00000   0.00021   0.00021   0.00705
   D276      -3.14068   0.00000   0.00000  -0.00002  -0.00002  -3.14070
   D277      -3.12955  -0.00000   0.00000   0.00037   0.00037  -3.12917
   D278       0.00612   0.00000   0.00000   0.00015   0.00015   0.00627
   D279      -0.00718   0.00000   0.00000  -0.00004  -0.00004  -0.00722
   D280       3.12998   0.00000   0.00000   0.00002   0.00002   3.13000
   D281       3.14033  -0.00000   0.00000   0.00018   0.00018   3.14051
   D282      -0.00570  -0.00000   0.00000   0.00024   0.00024  -0.00546
   D283      -0.00490   0.00000   0.00000  -0.00019  -0.00019  -0.00509
   D284       3.12817   0.00000   0.00000  -0.00014  -0.00014   3.12803
   D285       3.14111  -0.00000   0.00000  -0.00025  -0.00025   3.14086
   D286      -0.00901   0.00000   0.00000  -0.00020  -0.00020  -0.00921
   D287      -0.00356  -0.00000   0.00000  -0.00000  -0.00000  -0.00356
   D288       3.13952  -0.00000   0.00000  -0.00018  -0.00018   3.13934
   D289       3.13416   0.00000   0.00000  -0.00008  -0.00008   3.13409
   D290      -0.00595   0.00000   0.00000  -0.00025  -0.00025  -0.00620
   D291      -0.00627  -0.00000   0.00000  -0.00014  -0.00014  -0.00641
   D292       3.13867   0.00000   0.00000   0.00025   0.00025   3.13892
   D293       3.13384  -0.00000   0.00000   0.00003   0.00003   3.13387
   D294      -0.00441  -0.00000   0.00000   0.00043   0.00043  -0.00398
   D295       0.00525   0.00000   0.00000   0.00014   0.00014   0.00538
   D296      -3.13210  -0.00000   0.00000   0.00016   0.00016  -3.13195
   D297      -3.13970   0.00000   0.00000  -0.00026  -0.00026  -3.13995
   D298       0.00614  -0.00000   0.00000  -0.00024  -0.00024   0.00590
   D299       1.78866   0.00182   0.00000  -0.01496  -0.01496   1.77371
   D300      -0.46759   0.00039   0.00000  -0.01529  -0.01529  -0.48288
   D301      -2.70701   0.00087   0.00000  -0.01399  -0.01400  -2.72101
   D302       3.10604   0.00023   0.00000   0.00356   0.00356   3.10959
   D303      -1.01064   0.00012   0.00000   0.00198   0.00198  -1.00867
   D304       1.21906  -0.00041   0.00000  -0.00098  -0.00098   1.21808
   D305      -2.17012  -0.00008   0.00000   0.05225   0.05225  -2.11788
   D306      -0.02591  -0.00012   0.00000   0.05756   0.05756   0.03165
   D307       2.01401  -0.00005   0.00000   0.05346   0.05346   2.06747
   D308       1.53690   0.00001   0.00000  -0.00527  -0.00527   1.53164
   D309      -2.64001   0.00001   0.00000  -0.00562  -0.00562  -2.64563
   D310      -0.62637   0.00001   0.00000  -0.00456  -0.00456  -0.63093
   D311      -3.05801   0.00085   0.00000  -0.00031  -0.00030  -3.05831
   D312      -0.97257   0.00087   0.00000  -0.00167  -0.00167  -0.97424
   D313       1.14612   0.00085   0.00000  -0.00000   0.00000   1.14613
   D314       1.11242  -0.00081   0.00000  -0.00269  -0.00269   1.10973
   D315      -3.08533  -0.00079   0.00000  -0.00405  -0.00406  -3.08939
   D316      -0.96664  -0.00080   0.00000  -0.00238  -0.00238  -0.96902
   D317      -1.02907  -0.00007   0.00000  -0.00299  -0.00299  -1.03206
   D318       1.05637  -0.00005   0.00000  -0.00435  -0.00435   1.05202
   D319      -3.10812  -0.00007   0.00000  -0.00268  -0.00268  -3.11080
   D320      -1.04369  -0.00153   0.00000  -0.04264  -0.04263  -1.08632
   D321       1.07143  -0.00103   0.00000  -0.03668  -0.03668   1.03475
   D322      -3.04291  -0.00129   0.00000  -0.03653  -0.03653  -3.07944
   D323       3.09476   0.00000   0.00000   0.00137   0.00137   3.09612
   D324      -1.09445  -0.00000   0.00000   0.00071   0.00071  -1.09375
   D325       1.01501   0.00000   0.00000   0.00124   0.00124   1.01625
   D326       1.06388   0.00000   0.00000   0.00232   0.00232   1.06620
   D327      -3.12533  -0.00000   0.00000   0.00166   0.00166  -3.12367
   D328      -1.01587   0.00000   0.00000   0.00219   0.00219  -1.01368
   D329      -1.05154  -0.00001   0.00000   0.00082   0.00082  -1.05072
   D330       1.04243  -0.00001   0.00000   0.00016   0.00016   1.04259
   D331      -3.13129  -0.00001   0.00000   0.00069   0.00069  -3.13060
         Item               Value     Threshold  Converged?
 Maximum Force            0.004809     0.000450     NO 
 RMS     Force            0.000290     0.000300     YES
 Maximum Displacement     0.119935     0.001800     NO 
 RMS     Displacement     0.015676     0.001200     NO 
 Predicted change in Energy=-1.989319D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.597463    3.245874    0.120578
      2          6           0       -2.754919    1.865322    0.264453
      3          6           0       -1.650265    1.006488    0.216636
      4          6           0       -0.359864    1.560377    0.088210
      5          6           0       -0.209604    2.944083   -0.074567
      6          6           0       -1.313967    3.783106   -0.072710
      7          6           0       -1.783317   -0.462362    0.177018
      8          6           0       -0.651440   -1.284356    0.402243
      9          6           0        0.630064   -0.636911    0.839059
     10          6           0        0.824926    0.691864    0.162577
     11          6           0       -2.987310   -1.054528   -0.221854
     12          6           0       -3.079303   -2.427333   -0.456857
     13          6           0       -1.933531   -3.220244   -0.327579
     14          6           0       -0.741201   -2.647776    0.094705
     15          7           0        1.790693   -1.458822    0.923582
     16          6           0        3.039386   -0.953302    0.451558
     17          6           0        3.078276    0.328145   -0.145157
     18          7           0        1.957009    1.128322   -0.270277
     19          6           0        4.233745   -1.689975    0.500412
     20          6           0        5.420132   -1.163927    0.004226
     21          6           0        5.457745    0.106725   -0.588941
     22          6           0        4.278256    0.836401   -0.666380
     23          7           0       -3.729110    4.095102    0.160546
     24          7           0       -4.306042   -2.998816   -0.871444
     25          7           0        6.673261    0.631337   -1.096777
     26          6           0       -4.936710   -4.099093   -0.272642
     27          6           0       -6.147344   -4.364224   -0.960157
     28          6           0       -6.252078   -3.385483   -2.022751
     29          6           0       -5.101995   -2.560483   -1.939360
     30          6           0       -3.862821    5.248968    0.948025
     31          6           0       -5.136013    5.823600    0.707963
     32          6           0       -5.802188    4.983100   -0.265203
     33          6           0       -4.910038    3.927338   -0.579165
     34          6           0        7.249940    1.857402   -0.739858
     35          6           0        8.471548    2.012543   -1.442889
     36          6           0        8.639068    0.829880   -2.261629
     37          6           0        7.513636    0.000825   -2.022471
     38          6           0       -7.196903   -3.152863   -3.028553
     39          6           0       -6.982382   -2.119309   -3.935472
     40          6           0       -5.826628   -1.324927   -3.852224
     41          6           0       -4.870793   -1.534306   -2.859921
     42          6           0       -4.547770   -4.845665    0.842669
     43          6           0       -5.382730   -5.885019    1.247285
     44          6           0       -6.578076   -6.173124    0.567258
     45          6           0       -6.967525   -5.414518   -0.532396
     46          6           0       -7.051685    5.042171   -0.892589
     47          6           0       -7.392654    4.061881   -1.819619
     48          6           0       -6.490827    3.031457   -2.132476
     49          6           0       -5.239933    2.951835   -1.524163
     50          6           0       -2.978771    5.796717    1.881675
     51          6           0       -3.378128    6.950120    2.553505
     52          6           0       -4.628323    7.543739    2.312464
     53          6           0       -5.512463    6.982391    1.396286
     54          6           0        9.620112    0.415534   -3.169745
     55          6           0        9.466563   -0.802355   -3.825408
     56          6           0        8.337749   -1.604586   -3.587491
     57          6           0        7.346471   -1.216233   -2.688873
     58          6           0        6.800883    2.819080    0.169056
     59          6           0        7.587904    3.953850    0.352541
     60          6           0        8.794749    4.130138   -0.345332
     61          6           0        9.242376    3.163135   -1.240230
     62          8           0        0.475492   -3.046166    2.728001
     63         15           0        1.776492   -2.786378    2.084015
     64          8           0        3.007467   -2.519671    3.072938
     65          8           0        2.361409   -3.940943    1.127924
     66          6           0        2.817725   -1.950670    4.412415
     67          6           0        3.610093   -0.665371    4.534130
     68          6           0        2.580087   -5.278231    1.674599
     69          6           0        1.329162   -6.131738    1.566077
     70          1           0       -3.748914    1.472051    0.438069
     71          1           0        0.790102    3.343685   -0.199298
     72          1           0       -1.195026    4.851059   -0.216431
     73          1           0       -3.864648   -0.442331   -0.388309
     74          1           0       -1.974358   -4.272728   -0.584010
     75          1           0        0.138708   -3.273349    0.128894
     76          1           0        4.253284   -2.678592    0.929745
     77          1           0        6.332746   -1.744863    0.080603
     78          1           0        4.247097    1.812286   -1.136627
     79          1           0       -8.083291   -3.776251   -3.102757
     80          1           0       -7.708816   -1.928556   -4.719222
     81          1           0       -5.666908   -0.535013   -4.580266
     82          1           0       -3.973374   -0.927481   -2.815861
     83          1           0       -3.634771   -4.621187    1.382624
     84          1           0       -5.102480   -6.480513    2.111061
     85          1           0       -7.205153   -6.990857    0.908659
     86          1           0       -7.898031   -5.629969   -1.049675
     87          1           0       -7.744338    5.845739   -0.659695
     88          1           0       -8.361043    4.094066   -2.309078
     89          1           0       -6.769987    2.276012   -2.860856
     90          1           0       -4.547755    2.159900   -1.785877
     91          1           0       -2.018657    5.337936    2.088272
     92          1           0       -2.706885    7.394279    3.282486
     93          1           0       -4.907668    8.443426    2.851906
     94          1           0       -6.485227    7.432773    1.220984
     95          1           0       10.487465    1.040210   -3.363068
     96          1           0       10.221218   -1.134854   -4.531390
     97          1           0        8.230641   -2.546691   -4.117034
     98          1           0        6.472468   -1.835691   -2.520672
     99          1           0        5.874478    2.688275    0.717060
    100          1           0        7.258876    4.716525    1.052159
    101          1           0        9.382896    5.027612   -0.180670
    102          1           0       10.179868    3.296213   -1.772531
    103          1           0        1.751145   -1.796514    4.584336
    104          1           0        3.181303   -2.717178    5.102532
    105          1           0        3.533519   -0.290789    5.560386
    106          1           0        4.666460   -0.832858    4.306635
    107          1           0        3.214943    0.098860    3.861295
    108          1           0        3.399282   -5.685537    1.077556
    109          1           0        2.923785   -5.191140    2.709965
    110          1           0        1.539549   -7.139026    1.940756
    111          1           0        0.515719   -5.700799    2.153894
    112          1           0        1.008531   -6.215577    0.523761
    113         17           0        0.299319    0.120966    2.783023
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351354           0.0181856           0.0142811
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10698.7241220795 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000826    0.000217   -0.000412 Ang=   0.11 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48655684     A.U. after   11 cycles
            NFock= 11  Conv=0.61D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000046302   -0.000050362   -0.000016766
      2        6           0.000030784    0.000059980    0.000121963
      3        6          -0.000023259   -0.000090218    0.000016278
      4        6          -0.000127729    0.000162400   -0.000024287
      5        6           0.000021749   -0.000033953    0.000005610
      6        6          -0.000037190   -0.000050055   -0.000052679
      7        6          -0.000021776    0.000064296    0.000000149
      8        6           0.000137759    0.000287659    0.000472347
      9        6          -0.000089356   -0.000389072   -0.000375581
     10        6           0.000042988   -0.000124011    0.000135763
     11        6           0.000019628   -0.000045387   -0.000047589
     12        6          -0.000087117    0.000066927    0.000007250
     13        6           0.000028926    0.000012177    0.000024813
     14        6          -0.000008773   -0.000035155   -0.000006304
     15        7          -0.000222645    0.000486717    0.000464887
     16        6           0.000024269   -0.000143912   -0.000152786
     17        6           0.000226299   -0.000116656    0.000107061
     18        7          -0.000102989    0.000144395    0.000132788
     19        6           0.000090753    0.000061358   -0.000063284
     20        6          -0.000046038   -0.000011598    0.000126463
     21        6          -0.000032474    0.000150320   -0.000140031
     22        6           0.000004299    0.000018651   -0.000070481
     23        7          -0.000074554    0.000095002    0.000000368
     24        7           0.000083945   -0.000087977   -0.000091123
     25        7           0.000133191   -0.000025868    0.000178132
     26        6          -0.000000422    0.000060637    0.000052676
     27        6          -0.000024498    0.000003634    0.000006334
     28        6           0.000001588   -0.000003255    0.000010410
     29        6           0.000020194   -0.000001473   -0.000009291
     30        6          -0.000047462   -0.000107413    0.000043041
     31        6          -0.000035424   -0.000047311   -0.000010115
     32        6           0.000019510    0.000056677   -0.000004352
     33        6           0.000108471    0.000033558    0.000033054
     34        6          -0.000024541   -0.000072382   -0.000017681
     35        6          -0.000001837   -0.000004008    0.000008042
     36        6          -0.000029949    0.000040218   -0.000012929
     37        6          -0.000052418    0.000053557   -0.000108938
     38        6          -0.000001590   -0.000023403   -0.000005862
     39        6           0.000011357    0.000019331    0.000036476
     40        6           0.000012895   -0.000015357   -0.000033788
     41        6          -0.000038875   -0.000001136    0.000048364
     42        6          -0.000050290   -0.000052208   -0.000038476
     43        6           0.000003505    0.000000311   -0.000003155
     44        6          -0.000008858    0.000008975    0.000004591
     45        6           0.000011130   -0.000002863   -0.000020231
     46        6           0.000014398   -0.000041943   -0.000015117
     47        6          -0.000005237    0.000023482   -0.000014907
     48        6           0.000029349   -0.000024091    0.000052984
     49        6          -0.000031974    0.000018557   -0.000046537
     50        6          -0.000011942    0.000000994   -0.000019140
     51        6           0.000010620   -0.000000470   -0.000003205
     52        6           0.000020364    0.000011112    0.000008284
     53        6          -0.000000144    0.000015103   -0.000014323
     54        6          -0.000013057   -0.000022138    0.000013357
     55        6          -0.000018007    0.000001043    0.000001028
     56        6           0.000029346   -0.000003651   -0.000006410
     57        6           0.000011529   -0.000015592    0.000033172
     58        6           0.000004751   -0.000007432    0.000009051
     59        6          -0.000010503    0.000032229    0.000011210
     60        6          -0.000002003   -0.000027005    0.000011907
     61        6           0.000014545    0.000010254   -0.000010944
     62        8           0.000120173    0.000039718   -0.000135544
     63       15          -0.000207406   -0.000520668    0.000330432
     64        8           0.000153082    0.000506046    0.000177921
     65        8           0.000014910   -0.000189406   -0.000008147
     66        6          -0.000013136   -0.000527960   -0.000368190
     67        6           0.000034319    0.000094210    0.000139159
     68        6          -0.000208522    0.000283356   -0.000112478
     69        6           0.000028910   -0.000011425    0.000050747
     70        1          -0.000031595    0.000006734   -0.000053500
     71        1          -0.000005273    0.000003799   -0.000006636
     72        1          -0.000008070    0.000023495    0.000016622
     73        1           0.000019312    0.000004963    0.000030561
     74        1           0.000008672   -0.000011052   -0.000012933
     75        1          -0.000046748   -0.000034162   -0.000017569
     76        1           0.000004174   -0.000094997    0.000044768
     77        1          -0.000037642   -0.000044601   -0.000042165
     78        1          -0.000005164   -0.000019442    0.000037270
     79        1          -0.000006036    0.000007931   -0.000001751
     80        1          -0.000002810   -0.000010786   -0.000021120
     81        1          -0.000012765    0.000031492   -0.000003391
     82        1           0.000004032   -0.000008780   -0.000021561
     83        1           0.000040218    0.000019702    0.000027509
     84        1           0.000001267    0.000001775    0.000006654
     85        1           0.000004401   -0.000007995   -0.000005078
     86        1          -0.000010526    0.000003439    0.000014273
     87        1          -0.000032686    0.000022093    0.000012265
     88        1          -0.000012604   -0.000009410    0.000010672
     89        1          -0.000003718    0.000013755   -0.000033745
     90        1           0.000007223   -0.000008643    0.000008431
     91        1           0.000021134    0.000003845   -0.000015933
     92        1          -0.000008183    0.000008548    0.000004608
     93        1          -0.000007279   -0.000006112    0.000002298
     94        1           0.000001053    0.000007854    0.000004594
     95        1           0.000018747   -0.000000001   -0.000005196
     96        1           0.000007679   -0.000005335   -0.000003444
     97        1          -0.000002901   -0.000006692   -0.000010915
     98        1          -0.000002652    0.000001316   -0.000002549
     99        1           0.000005876    0.000005631   -0.000001101
    100        1           0.000011276   -0.000003457    0.000003128
    101        1          -0.000008370    0.000006838   -0.000008937
    102        1           0.000006279    0.000007107    0.000000568
    103        1          -0.000077909    0.000211071   -0.000000281
    104        1          -0.000010264    0.000006792   -0.000009255
    105        1           0.000011466    0.000031535   -0.000018725
    106        1           0.000056466    0.000017106   -0.000030479
    107        1          -0.000092221   -0.000022703   -0.000039701
    108        1           0.000084599   -0.000027693    0.000034960
    109        1           0.000076664    0.000058936    0.000043682
    110        1           0.000019572   -0.000014418   -0.000015321
    111        1          -0.000030324    0.000000551   -0.000022871
    112        1          -0.000021795    0.000009817   -0.000021213
    113       17           0.000213582   -0.000175920   -0.000692933
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000692933 RMS     0.000105803

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003973522 RMS     0.000254338
 Search for a local minimum.
 Step number  46 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46
 DE=  2.37D-06 DEPred=-1.99D-05 R=-1.19D-01
 Trust test=-1.19D-01 RLast= 1.50D-01 DXMaxT set to 1.34D-01
 ITU= -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1
 ITU=  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1  1
 ITU=  1  0  0  0  1  0
     Eigenvalues ---    0.00097   0.00331   0.00450   0.00582   0.00671
     Eigenvalues ---    0.00772   0.01533   0.01586   0.01962   0.02370
     Eigenvalues ---    0.02485   0.02494   0.02539   0.02555   0.02578
     Eigenvalues ---    0.02588   0.02603   0.02636   0.02675   0.02681
     Eigenvalues ---    0.02697   0.02702   0.02708   0.02714   0.02740
     Eigenvalues ---    0.02745   0.02771   0.02773   0.02788   0.02798
     Eigenvalues ---    0.02803   0.02806   0.02812   0.02813   0.02823
     Eigenvalues ---    0.02837   0.02846   0.02850   0.02860   0.02871
     Eigenvalues ---    0.02874   0.02880   0.02888   0.02895   0.02900
     Eigenvalues ---    0.02902   0.02906   0.02908   0.02914   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02932   0.02944   0.02946
     Eigenvalues ---    0.02950   0.02950   0.02953   0.02954   0.02957
     Eigenvalues ---    0.02962   0.02965   0.02967   0.02969   0.02975
     Eigenvalues ---    0.02989   0.02991   0.02993   0.02995   0.03000
     Eigenvalues ---    0.03017   0.03020   0.03032   0.03047   0.03054
     Eigenvalues ---    0.03059   0.03063   0.03070   0.03080   0.03089
     Eigenvalues ---    0.03094   0.03114   0.03115   0.03126   0.03139
     Eigenvalues ---    0.03159   0.03163   0.03175   0.03178   0.03202
     Eigenvalues ---    0.03223   0.03236   0.03241   0.03273   0.03289
     Eigenvalues ---    0.03369   0.03603   0.03712   0.05091   0.05262
     Eigenvalues ---    0.05432   0.05571   0.05738   0.05854   0.05896
     Eigenvalues ---    0.05954   0.06168   0.06447   0.08980   0.10020
     Eigenvalues ---    0.11788   0.12096   0.13362   0.13794   0.14153
     Eigenvalues ---    0.15068   0.15580   0.15895   0.15930   0.15968
     Eigenvalues ---    0.15987   0.15989   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16003   0.16005
     Eigenvalues ---    0.16006   0.16011   0.16017   0.16023   0.16051
     Eigenvalues ---    0.16068   0.16073   0.16156   0.16203   0.18292
     Eigenvalues ---    0.19639   0.20033   0.20660   0.21815   0.21989
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22007   0.22099
     Eigenvalues ---    0.22346   0.22441   0.22455   0.22545   0.22595
     Eigenvalues ---    0.22601   0.22613   0.22639   0.22664   0.22741
     Eigenvalues ---    0.23296   0.23444   0.23456   0.23799   0.24040
     Eigenvalues ---    0.24255   0.24439   0.24475   0.24491   0.24518
     Eigenvalues ---    0.24531   0.24543   0.24740   0.24770   0.24801
     Eigenvalues ---    0.24910   0.24960   0.24974   0.24977   0.24983
     Eigenvalues ---    0.24984   0.24990   0.25001   0.25046   0.25078
     Eigenvalues ---    0.25159   0.25693   0.25880   0.26519   0.27069
     Eigenvalues ---    0.27137   0.27910   0.28593   0.28743   0.28851
     Eigenvalues ---    0.29170   0.29341   0.29498   0.29715   0.30068
     Eigenvalues ---    0.30418   0.30647   0.30708   0.30829   0.30989
     Eigenvalues ---    0.31060   0.31148   0.31258   0.31403   0.31489
     Eigenvalues ---    0.31546   0.31664   0.32134   0.32231   0.32461
     Eigenvalues ---    0.33131   0.33382   0.33530   0.33960   0.34001
     Eigenvalues ---    0.34362   0.34495   0.34660   0.34671   0.34937
     Eigenvalues ---    0.35155   0.35252   0.35479   0.35582   0.36070
     Eigenvalues ---    0.36391   0.36777   0.37163   0.37309   0.39000
     Eigenvalues ---    0.39254   0.41474   0.41591   0.42067   0.42740
     Eigenvalues ---    0.43269   0.43443   0.43752   0.45286   0.45962
     Eigenvalues ---    0.47068   0.47097   0.47109   0.47241   0.47641
     Eigenvalues ---    0.47865   0.49389   0.49814   0.49929   0.50411
     Eigenvalues ---    0.50588   0.51248   0.51265   0.51709   0.52033
     Eigenvalues ---    0.52127   0.52290   0.52649   0.53104   0.53228
     Eigenvalues ---    0.53400   0.53789   0.54291   0.54347   0.55034
     Eigenvalues ---    0.55151   0.55377   0.55611   0.55696   0.55998
     Eigenvalues ---    0.56180   0.56276   0.56464   0.56614   0.56791
     Eigenvalues ---    0.56945   0.57157   0.57533   0.57881   0.58232
     Eigenvalues ---    0.58284   0.58288   0.58340   0.58505   0.58660
     Eigenvalues ---    0.58925   0.58949   0.59434   0.59712   0.59804
     Eigenvalues ---    0.60046   0.60547   0.60882   0.61391   0.62011
     Eigenvalues ---    0.63243   0.63515   0.64236   0.65112   0.65165
     Eigenvalues ---    0.65863   0.66733   0.67791   0.68857   0.72064
     Eigenvalues ---    0.73049   0.74539   0.78947   0.80767   0.81470
     Eigenvalues ---    0.85411   1.38991   6.69269
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    46   45   44   43   42   41   40   39   38   37
 RFO step:  Lambda=-3.84300278D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did    14 forward-backward iterations
 DidBck=T Rises=T En-DIIS coefs:    0.46664    0.24219    0.00000    0.15007    0.00000
                  En-DIIS coefs:    0.14110    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00831864 RMS(Int)=  0.00005330
 Iteration  2 RMS(Cart)=  0.00013267 RMS(Int)=  0.00000062
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000062
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63982  -0.00001  -0.00014   0.00000  -0.00014   2.63968
    R2        2.65460  -0.00004  -0.00006   0.00000  -0.00006   2.65454
    R3        2.67475   0.00007   0.00016   0.00000   0.00016   2.67491
    R4        2.64571   0.00006   0.00019   0.00000   0.00019   2.64590
    R5        2.04652   0.00001   0.00002   0.00000   0.00002   2.04655
    R6        2.66473   0.00002   0.00008   0.00000   0.00008   2.66481
    R7        2.78810  -0.00003  -0.00023   0.00000  -0.00023   2.78787
    R8        2.64812  -0.00003  -0.00003   0.00000  -0.00003   2.64810
    R9        2.77961   0.00017   0.00036   0.00000   0.00036   2.77997
   R10        2.62092   0.00001  -0.00005   0.00000  -0.00005   2.62087
   R11        2.04811  -0.00000  -0.00002   0.00000  -0.00002   2.04809
   R12        2.04870   0.00002   0.00005   0.00000   0.00005   2.04875
   R13        2.67751   0.00008   0.00017   0.00000   0.00017   2.67769
   R14        2.64518   0.00003   0.00012   0.00000   0.00012   2.64530
   R15        2.83600  -0.00024  -0.00192   0.00000  -0.00192   2.83409
   R16        2.64666   0.00008   0.00035   0.00000   0.00035   2.64701
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   D138      -3.11343  -0.00000  -0.00004   0.00000  -0.00004  -3.11347
   D139      -3.12347  -0.00003  -0.00165   0.00000  -0.00165  -3.12512
   D140       0.05135  -0.00004  -0.00207   0.00000  -0.00208   0.04928
   D141      -0.00023   0.00000   0.00031   0.00000   0.00031   0.00008
   D142      -3.10859  -0.00001  -0.00012   0.00000  -0.00012  -3.10871
   D143       0.00306  -0.00000  -0.00013   0.00000  -0.00013   0.00294
   D144      -3.12757  -0.00000  -0.00016   0.00000  -0.00016  -3.12773
   D145       3.10966   0.00000   0.00001   0.00000   0.00001   3.10967
   D146      -0.02097   0.00000  -0.00003   0.00000  -0.00003  -0.02100
   D147       3.11919   0.00000   0.00019   0.00000   0.00019   3.11938
   D148      -0.01196   0.00001   0.00037   0.00000   0.00037  -0.01158
   D149       0.02045  -0.00000   0.00002   0.00000   0.00002   0.02047
   D150      -3.11070   0.00000   0.00021   0.00000   0.00021  -3.11049
   D151      -0.00192  -0.00000  -0.00007   0.00000  -0.00007  -0.00199
   D152       3.12391  -0.00000  -0.00013   0.00000  -0.00013   3.12377
   D153       3.12651  -0.00000  -0.00003   0.00000  -0.00003   3.12649
   D154      -0.03084  -0.00000  -0.00009   0.00000  -0.00009  -0.03093
   D155       0.00624  -0.00000   0.00002   0.00000   0.00002   0.00626
   D156      -3.14106  -0.00001  -0.00027   0.00000  -0.00027  -3.14133
   D157      -3.12088  -0.00000  -0.00004   0.00000  -0.00004  -3.12092
   D158       0.01500  -0.00001  -0.00032   0.00000  -0.00032   0.01468
   D159       0.00008   0.00000   0.00025   0.00000   0.00025   0.00033
   D160       3.10220   0.00001   0.00026   0.00000   0.00026   3.10246
   D161      -3.12836   0.00000   0.00030   0.00000   0.00030  -3.12807
   D162      -0.02625   0.00001   0.00031   0.00000   0.00031  -0.02594
   D163      -3.11587  -0.00001  -0.00013   0.00000  -0.00013  -3.11599
   D164       0.01921  -0.00000   0.00001   0.00000   0.00001   0.01922
   D165       0.00839  -0.00000  -0.00019   0.00000  -0.00019   0.00820
   D166      -3.13972  -0.00000  -0.00005   0.00000  -0.00005  -3.13978
   D167       3.11788  -0.00000  -0.00026   0.00000  -0.00026   3.11762
   D168      -0.00972   0.00001   0.00013   0.00000   0.00013  -0.00959
   D169       0.02476  -0.00001  -0.00027   0.00000  -0.00027   0.02449
   D170      -3.10283   0.00000   0.00011   0.00000   0.00011  -3.10272
   D171       0.00029  -0.00000  -0.00002   0.00000  -0.00002   0.00027
   D172       3.12677   0.00001   0.00016   0.00000   0.00016   3.12693
   D173      -3.10196  -0.00002  -0.00055   0.00000  -0.00055  -3.10251
   D174       0.02452  -0.00001  -0.00037   0.00000  -0.00037   0.02415
   D175      -3.11717  -0.00001  -0.00029   0.00000  -0.00029  -3.11746
   D176       0.01263  -0.00000   0.00004   0.00000   0.00004   0.01267
   D177      -0.02386   0.00001   0.00037   0.00000   0.00037  -0.02350
   D178       3.10594   0.00002   0.00069   0.00000   0.00069   3.10664
   D179       0.00158   0.00000  -0.00000   0.00000  -0.00000   0.00158
   D180      -3.12934  -0.00000  -0.00016   0.00000  -0.00016  -3.12951
   D181      -3.12192  -0.00001  -0.00021   0.00000  -0.00021  -3.12213
   D182       0.03034  -0.00001  -0.00037   0.00000  -0.00037   0.02997
   D183      -0.00724  -0.00000   0.00009   0.00000   0.00009  -0.00715
   D184       3.14113  -0.00000  -0.00003   0.00000  -0.00003   3.14110
   D185       3.11445   0.00001   0.00032   0.00000   0.00032   3.11477
   D186      -0.02037   0.00001   0.00020   0.00000   0.00020  -0.02017
   D187      -0.00288   0.00000   0.00002   0.00000   0.00002  -0.00286
   D188      -3.11154   0.00001   0.00002   0.00000   0.00002  -3.11152
   D189       3.12980   0.00001   0.00016   0.00000   0.00016   3.12996
   D190       0.02114   0.00001   0.00015   0.00000   0.00015   0.02129
   D191       3.12573  -0.00000   0.00000   0.00000   0.00000   3.12574
   D192      -0.01272  -0.00000  -0.00002   0.00000  -0.00002  -0.01274
   D193      -0.00412  -0.00001  -0.00018   0.00000  -0.00018  -0.00430
   D194       3.14061  -0.00001  -0.00020   0.00000  -0.00020   3.14042
   D195      -3.12427  -0.00000  -0.00008   0.00000  -0.00008  -3.12435
   D196       0.00988   0.00000   0.00021   0.00000   0.00021   0.01009
   D197      -0.02316  -0.00001  -0.00008   0.00000  -0.00008  -0.02324
   D198       3.11099  -0.00000   0.00021   0.00000   0.00021   3.11120
   D199       0.00162   0.00000   0.00013   0.00000   0.00013   0.00176
   D200      -3.13095   0.00000   0.00025   0.00000   0.00025  -3.13070
   D201       3.11688  -0.00000  -0.00007   0.00000  -0.00007   3.11681
   D202      -0.01569  -0.00000   0.00005   0.00000   0.00005  -0.01565
   D203       3.12388  -0.00000  -0.00026   0.00000  -0.00026   3.12362
   D204      -0.01375  -0.00000  -0.00024   0.00000  -0.00024  -0.01399
   D205       0.01456   0.00000  -0.00001   0.00000  -0.00001   0.01456
   D206      -3.12307   0.00000   0.00001   0.00000   0.00001  -3.12305
   D207      -0.00173   0.00000   0.00005   0.00000   0.00005  -0.00168
   D208       3.12669   0.00001   0.00022   0.00000   0.00022   3.12691
   D209       3.12903   0.00000  -0.00009   0.00000  -0.00009   3.12894
   D210      -0.02574   0.00001   0.00008   0.00000   0.00008  -0.02566
   D211       0.00535   0.00000  -0.00005   0.00000  -0.00005   0.00531
   D212      -3.14049   0.00000  -0.00001   0.00000  -0.00001  -3.14050
   D213      -3.12433  -0.00000   0.00011   0.00000   0.00011  -3.12422
   D214       0.01301   0.00000   0.00015   0.00000   0.00015   0.01316
   D215       0.00122  -0.00000  -0.00022   0.00000  -0.00022   0.00100
   D216       3.11270   0.00001   0.00017   0.00000   0.00017   3.11286
   D217      -3.12941  -0.00001  -0.00036   0.00000  -0.00036  -3.12977
   D218      -0.01793  -0.00000   0.00002   0.00000   0.00002  -0.01791
   D219      -3.12192  -0.00001  -0.00012   0.00000  -0.00012  -3.12204
   D220       0.01431  -0.00000   0.00003   0.00000   0.00003   0.01433
   D221       0.00518   0.00000   0.00006   0.00000   0.00006   0.00525
   D222       3.14141   0.00001   0.00021   0.00000   0.00021  -3.14156
   D223       3.12230   0.00001   0.00039   0.00000   0.00039   3.12269
   D224      -0.01078   0.00001   0.00044   0.00000   0.00044  -0.01035
   D225       0.01761  -0.00000  -0.00009   0.00000  -0.00009   0.01752
   D226      -3.11548  -0.00000  -0.00004   0.00000  -0.00004  -3.11552
   D227       0.00977   0.00000   0.00005   0.00000   0.00005   0.00982
   D228      -3.14031  -0.00001  -0.00017   0.00000  -0.00017  -3.14048
   D229      -3.12529  -0.00000  -0.00009   0.00000  -0.00009  -3.12538
   D230       0.00782  -0.00001  -0.00031   0.00000  -0.00031   0.00750
   D231      -0.01107  -0.00000  -0.00002   0.00000  -0.00002  -0.01109
   D232       3.12127   0.00001   0.00030   0.00000   0.00030   3.12157
   D233       3.13898   0.00000   0.00020   0.00000   0.00020   3.13919
   D234      -0.01186   0.00001   0.00052   0.00000   0.00052  -0.01133
   D235      -0.00619   0.00001   0.00013   0.00000   0.00013  -0.00606
   D236       3.12148  -0.00001  -0.00025   0.00000  -0.00025   3.12123
   D237      -3.13858  -0.00000  -0.00019   0.00000  -0.00019  -3.13877
   D238      -0.01090  -0.00002  -0.00057   0.00000  -0.00057  -0.01148
   D239      -0.00587   0.00000  -0.00001   0.00000  -0.00001  -0.00588
   D240       3.14107   0.00000   0.00010   0.00000   0.00010   3.14117
   D241       3.12533  -0.00000  -0.00019   0.00000  -0.00019   3.12514
   D242      -0.01092  -0.00000  -0.00009   0.00000  -0.00009  -0.01100
   D243      -0.00831   0.00000  -0.00001   0.00000  -0.00001  -0.00832
   D244       3.14066  -0.00000  -0.00011   0.00000  -0.00011   3.14055
   D245       3.12791  -0.00000  -0.00011   0.00000  -0.00011   3.12780
   D246      -0.00631  -0.00000  -0.00022   0.00000  -0.00022  -0.00652
   D247       0.00798   0.00000   0.00000   0.00000   0.00000   0.00798
   D248      -3.12790   0.00001   0.00029   0.00000   0.00029  -3.12761
   D249      -3.14101   0.00000   0.00011   0.00000   0.00011  -3.14090
   D250       0.00630   0.00001   0.00039   0.00000   0.00039   0.00669
   D251      -0.00992   0.00000   0.00013   0.00000   0.00013  -0.00979
   D252       3.13607  -0.00000  -0.00015   0.00000  -0.00015   3.13592
   D253       3.12853   0.00000   0.00015   0.00000   0.00015   3.12867
   D254      -0.00867  -0.00000  -0.00013   0.00000  -0.00013  -0.00880
   D255       0.00765   0.00000  -0.00005   0.00000  -0.00005   0.00759
   D256      -3.13742   0.00001   0.00036   0.00000   0.00036  -3.13706
   D257      -3.13834   0.00001   0.00023   0.00000   0.00023  -3.13811
   D258      -0.00021   0.00002   0.00063   0.00000   0.00063   0.00042
   D259       0.00886   0.00000   0.00002   0.00000   0.00002   0.00888
   D260      -3.12536  -0.00000  -0.00026   0.00000  -0.00026  -3.12562
   D261      -3.12929  -0.00001  -0.00038   0.00000  -0.00038  -3.12967
   D262       0.01968  -0.00001  -0.00066   0.00000  -0.00066   0.01902
   D263       0.00670  -0.00000  -0.00010   0.00000  -0.00010   0.00660
   D264      -3.14009  -0.00000  -0.00003   0.00000  -0.00003  -3.14012
   D265      -3.12319  -0.00001  -0.00043   0.00000  -0.00043  -3.12361
   D266       0.01322  -0.00001  -0.00036   0.00000  -0.00036   0.01286
   D267       0.01001  -0.00000  -0.00017   0.00000  -0.00017   0.00984
   D268      -3.13955  -0.00000  -0.00012   0.00000  -0.00012  -3.13966
   D269      -3.12637  -0.00001  -0.00024   0.00000  -0.00024  -3.12661
   D270       0.00726  -0.00000  -0.00018   0.00000  -0.00018   0.00708
   D271      -0.00956   0.00001   0.00017   0.00000   0.00017  -0.00939
   D272       3.12524   0.00001   0.00030   0.00000   0.00030   3.12554
   D273       3.14002   0.00000   0.00012   0.00000   0.00012   3.14014
   D274      -0.00837   0.00000   0.00024   0.00000   0.00024  -0.00812
   D275       0.00705  -0.00000  -0.00009   0.00000  -0.00009   0.00696
   D276      -3.14070   0.00000   0.00006   0.00000   0.00006  -3.14063
   D277      -3.12917  -0.00001  -0.00023   0.00000  -0.00023  -3.12941
   D278       0.00627  -0.00000  -0.00009   0.00000  -0.00009   0.00618
   D279      -0.00722   0.00000   0.00002   0.00000   0.00002  -0.00720
   D280       3.13000  -0.00000  -0.00003   0.00000  -0.00003   3.12998
   D281       3.14051  -0.00000  -0.00013   0.00000  -0.00013   3.14038
   D282      -0.00546  -0.00001  -0.00017   0.00000  -0.00017  -0.00563
   D283      -0.00509   0.00000   0.00007   0.00000   0.00007  -0.00502
   D284       3.12803   0.00000   0.00002   0.00000   0.00002   3.12805
   D285       3.14086   0.00000   0.00011   0.00000   0.00011   3.14097
   D286      -0.00921   0.00000   0.00006   0.00000   0.00006  -0.00914
   D287      -0.00356  -0.00000  -0.00003   0.00000  -0.00003  -0.00359
   D288       3.13934   0.00000   0.00013   0.00000   0.00013   3.13947
   D289       3.13409  -0.00000  -0.00005   0.00000  -0.00005   3.13403
   D290      -0.00620   0.00000   0.00011   0.00000   0.00011  -0.00609
   D291      -0.00641  -0.00000   0.00003   0.00000   0.00003  -0.00637
   D292       3.13892  -0.00001  -0.00019   0.00000  -0.00019   3.13873
   D293       3.13387  -0.00000  -0.00013   0.00000  -0.00013   3.13374
   D294      -0.00398  -0.00001  -0.00036   0.00000  -0.00036  -0.00434
   D295       0.00538   0.00000   0.00001   0.00000   0.00001   0.00539
   D296      -3.13195  -0.00000  -0.00003   0.00000  -0.00003  -3.13198
   D297      -3.13995   0.00001   0.00023   0.00000   0.00023  -3.13972
   D298       0.00590   0.00000   0.00019   0.00000   0.00019   0.00609
   D299       1.77371  -0.00172   0.00764   0.00000   0.00764   1.78134
   D300      -0.48288  -0.00050   0.00782   0.00000   0.00782  -0.47506
   D301      -2.72101  -0.00088   0.00704   0.00000   0.00704  -2.71397
   D302       3.10959  -0.00041  -0.00011   0.00000  -0.00011   3.10948
   D303      -1.00867  -0.00016   0.00106   0.00000   0.00106  -1.00761
   D304       1.21808   0.00040   0.00294   0.00000   0.00294   1.22102
   D305      -2.11788  -0.00008  -0.03050   0.00000  -0.03050  -2.14838
   D306       0.03165  -0.00053  -0.03404   0.00000  -0.03403  -0.00239
   D307       2.06747  -0.00022  -0.03133   0.00000  -0.03133   2.03614
   D308       1.53164   0.00004   0.00325   0.00000   0.00325   1.53489
   D309      -2.64563   0.00006   0.00343   0.00000   0.00343  -2.64220
   D310      -0.63093  -0.00002   0.00296   0.00000   0.00296  -0.62797
   D311      -3.05831  -0.00078   0.00214   0.00000   0.00214  -3.05618
   D312      -0.97424  -0.00074   0.00298   0.00000   0.00297  -0.97127
   D313       1.14613  -0.00076   0.00191   0.00000   0.00191   1.14803
   D314       1.10973   0.00071   0.00344   0.00000   0.00344   1.11317
   D315      -3.08939   0.00075   0.00428   0.00000   0.00428  -3.08511
   D316      -0.96902   0.00073   0.00321   0.00000   0.00321  -0.96581
   D317      -1.03206   0.00003   0.00400   0.00000   0.00400  -1.02806
   D318       1.05202   0.00008   0.00484   0.00000   0.00484   1.05686
   D319      -3.11080   0.00006   0.00377   0.00000   0.00377  -3.10703
   D320      -1.08632   0.00129   0.02429   0.00000   0.02429  -1.06203
   D321       1.03475   0.00067   0.02078   0.00000   0.02078   1.05554
   D322      -3.07944   0.00087   0.02028   0.00000   0.02028  -3.05915
   D323       3.09612   0.00000   0.00047   0.00000   0.00047   3.09659
   D324      -1.09375   0.00003   0.00059   0.00000   0.00059  -1.09316
   D325       1.01625   0.00001   0.00040   0.00000   0.00040   1.01664
   D326       1.06620  -0.00003  -0.00011   0.00000  -0.00011   1.06609
   D327      -3.12367  -0.00001   0.00001   0.00000   0.00001  -3.12366
   D328      -1.01368  -0.00002  -0.00018   0.00000  -0.00018  -1.01386
   D329      -1.05072  -0.00001   0.00090   0.00000   0.00090  -1.04983
   D330       1.04259   0.00001   0.00102   0.00000   0.00102   1.04361
   D331      -3.13060  -0.00000   0.00083   0.00000   0.00083  -3.12977
         Item               Value     Threshold  Converged?
 Maximum Force            0.003974     0.000450     NO 
 RMS     Force            0.000254     0.000300     YES
 Maximum Displacement     0.068335     0.001800     NO 
 RMS     Displacement     0.008322     0.001200     NO 
 Predicted change in Energy=-1.699140D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.595407    3.246340    0.119659
      2          6           0       -2.753968    1.865865    0.262346
      3          6           0       -1.649992    1.006045    0.213618
      4          6           0       -0.359227    1.559182    0.085137
      5          6           0       -0.207892    2.942890   -0.076501
      6          6           0       -1.311582    3.782753   -0.073490
      7          6           0       -1.784236   -0.462574    0.173897
      8          6           0       -0.652865   -1.285671    0.398219
      9          6           0        0.629820   -0.640393    0.831279
     10          6           0        0.825249    0.689855    0.158724
     11          6           0       -2.989271   -1.053779   -0.223469
     12          6           0       -3.083125   -2.426528   -0.457799
     13          6           0       -1.938023   -3.220667   -0.329252
     14          6           0       -0.744701   -2.649279    0.091284
     15          7           0        1.789321   -1.462191    0.916192
     16          6           0        3.038678   -0.956904    0.445529
     17          6           0        3.079035    0.326481   -0.146853
     18          7           0        1.958247    1.127836   -0.270458
     19          6           0        4.232586   -1.694498    0.492712
     20          6           0        5.419448   -1.167747   -0.001368
     21          6           0        5.458505    0.104963   -0.590270
     22          6           0        4.279654    0.835798   -0.665687
     23          7           0       -3.726331    4.096610    0.160909
     24          7           0       -4.310737   -2.997186   -0.870662
     25          7           0        6.674895    0.630199   -1.095290
     26          6           0       -4.941867   -4.096281   -0.270095
     27          6           0       -6.154354   -4.359791   -0.954984
     28          6           0       -6.259898   -3.381200   -2.017630
     29          6           0       -5.108490   -2.557808   -1.936889
     30          6           0       -3.859782    5.248172    0.951676
     31          6           0       -5.132332    5.824528    0.712308
     32          6           0       -5.798322    4.987460   -0.263907
     33          6           0       -4.906646    3.931962   -0.580248
     34          6           0        7.252505    1.854362   -0.733650
     35          6           0        8.473717    2.011786   -1.436902
     36          6           0        8.639878    0.832561   -2.260872
     37          6           0        7.514067    0.003224   -2.024533
     38          6           0       -7.206473   -3.147589   -3.021552
     39          6           0       -6.992466   -2.114485   -3.929118
     40          6           0       -5.835526   -1.321590   -3.848452
     41          6           0       -4.877941   -1.532047   -2.858048
     42          6           0       -4.551766   -4.843195    0.844584
     43          6           0       -5.387421   -5.881205    1.251197
     44          6           0       -6.584607   -6.167689    0.573741
     45          6           0       -6.975209   -5.408751   -0.525276
     46          6           0       -7.047301    5.049165   -0.892098
     47          6           0       -7.388134    4.071899   -1.822358
     48          6           0       -6.486720    3.041790   -2.137527
     49          6           0       -5.236401    2.959501   -1.528442
     50          6           0       -2.975686    5.792652    1.887171
     51          6           0       -3.374494    6.944460    2.562049
     52          6           0       -4.624145    7.539660    2.322049
     53          6           0       -5.508214    6.981681    1.403728
     54          6           0        9.620048    0.421319   -3.171350
     55          6           0        9.465217   -0.793675   -3.832073
     56          6           0        8.336043   -1.596165   -3.596816
     57          6           0        7.345635   -1.210927   -2.695878
     58          6           0        6.804767    2.812352    0.179812
     59          6           0        7.592686    3.945789    0.367708
     60          6           0        8.799149    4.124282   -0.330255
     61          6           0        9.245503    3.160939   -1.229731
     62          8           0        0.474508   -3.051776    2.721466
     63         15           0        1.775313   -2.788966    2.078655
     64          8           0        3.004750   -2.514379    3.067322
     65          8           0        2.363682   -3.943543    1.124725
     66          6           0        2.810517   -1.951009    4.407784
     67          6           0        3.626991   -0.682034    4.543974
     68          6           0        2.583646   -5.279322    1.673210
     69          6           0        1.335773   -6.136694    1.559702
     70          1           0       -3.748440    1.473380    0.435085
     71          1           0        0.792093    3.341792   -0.201143
     72          1           0       -1.191934    4.850833   -0.215880
     73          1           0       -3.866150   -0.440655   -0.388820
     74          1           0       -1.980195   -4.273180   -0.585367
     75          1           0        0.134505   -3.275890    0.124416
     76          1           0        4.251319   -2.684370    0.919284
     77          1           0        6.331364   -1.750033    0.072956
     78          1           0        4.249413    1.813502   -1.132141
     79          1           0       -8.093882   -3.769747   -3.093791
     80          1           0       -7.720204   -1.923104   -4.711520
     81          1           0       -5.676412   -0.531837   -4.576818
     82          1           0       -3.979542   -0.926518   -2.816145
     83          1           0       -3.637368   -4.619853    1.382724
     84          1           0       -5.106269   -6.476825    2.114595
     85          1           0       -7.212138   -6.984473    0.916583
     86          1           0       -7.907245   -5.622785   -1.040384
     87          1           0       -7.739698    5.852439   -0.657302
     88          1           0       -8.356184    4.106078   -2.312359
     89          1           0       -6.765726    2.288954   -2.868677
     90          1           0       -4.544538    2.167766   -1.791687
     91          1           0       -2.015851    5.332714    2.092588
     92          1           0       -2.703310    7.386176    3.292568
     93          1           0       -4.903166    8.437978    2.863936
     94          1           0       -6.480431    7.433501    1.229085
     95          1           0       10.487844    1.046064   -3.362516
     96          1           0       10.219242   -1.123740   -4.539877
     97          1           0        8.227916   -2.535934   -4.130299
     98          1           0        6.471320   -1.830488   -2.529673
     99          1           0        5.878685    2.679763    0.727936
    100          1           0        7.264775    4.705560    1.070992
    101          1           0        9.387930    5.020717   -0.162216
    102          1           0       10.182704    3.295769   -1.762107
    103          1           0        1.745820   -1.773770    4.568753
    104          1           0        3.150133   -2.727627    5.098836
    105          1           0        3.549510   -0.311589    5.571604
    106          1           0        4.681758   -0.868314    4.323523
    107          1           0        3.251844    0.093025    3.871907
    108          1           0        3.406881   -5.685095    1.080584
    109          1           0        2.922692   -5.190719    2.710097
    110          1           0        1.547270   -7.142943    1.936554
    111          1           0        0.518224   -5.707390    2.143032
    112          1           0        1.020394   -6.222605    0.515925
    113         17           0        0.302134    0.113963    2.773180
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351480           0.0181782           0.0142770
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10698.4031022625 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000414   -0.000114    0.000236 Ang=  -0.06 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48656959     A.U. after   10 cycles
            NFock= 10  Conv=0.49D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000040856   -0.000014889   -0.000007254
      2        6           0.000029922    0.000008685    0.000057689
      3        6          -0.000032842    0.000024701   -0.000004434
      4        6          -0.000050348    0.000055971   -0.000009082
      5        6           0.000010354   -0.000012671    0.000007099
      6        6          -0.000035271   -0.000020598   -0.000028926
      7        6           0.000031064   -0.000059432   -0.000013404
      8        6          -0.000190658   -0.000135008   -0.000185501
      9        6          -0.000213734   -0.000054117    0.000330654
     10        6           0.000126604    0.000207278   -0.000274623
     11        6           0.000007014   -0.000010007    0.000004488
     12        6           0.000031012    0.000016473    0.000017052
     13        6          -0.000075004    0.000013710   -0.000007448
     14        6           0.000031871    0.000097629    0.000011083
     15        7           0.000257278   -0.000129270    0.000135569
     16        6           0.000030648   -0.000036131   -0.000119147
     17        6           0.000144579   -0.000054668    0.000048000
     18        7          -0.000155442    0.000009883    0.000107743
     19        6           0.000006773    0.000033373   -0.000037274
     20        6          -0.000002071    0.000049664    0.000046023
     21        6          -0.000021161    0.000020218   -0.000047467
     22        6          -0.000018700   -0.000008318   -0.000026114
     23        7          -0.000045172    0.000064181   -0.000005911
     24        7          -0.000010110   -0.000063029   -0.000093376
     25        7           0.000125371   -0.000018040    0.000086141
     26        6          -0.000008781    0.000051526    0.000032298
     27        6          -0.000015315    0.000005645   -0.000002773
     28        6          -0.000005784   -0.000010147    0.000008342
     29        6           0.000041164   -0.000020647    0.000024200
     30        6          -0.000019835   -0.000081171    0.000028793
     31        6          -0.000027499   -0.000032208    0.000010563
     32        6           0.000013505    0.000033484   -0.000008445
     33        6           0.000050436    0.000028753    0.000005394
     34        6          -0.000003720   -0.000053269   -0.000006984
     35        6           0.000011271   -0.000011940    0.000008420
     36        6          -0.000021858    0.000033742   -0.000022346
     37        6          -0.000069544    0.000056489   -0.000056930
     38        6          -0.000000917   -0.000003549   -0.000003544
     39        6           0.000001641    0.000004295    0.000014905
     40        6           0.000008918   -0.000011654   -0.000005600
     41        6          -0.000016283    0.000006840    0.000009470
     42        6          -0.000021049   -0.000024068   -0.000016654
     43        6           0.000000939    0.000003691   -0.000000423
     44        6          -0.000004921    0.000001235   -0.000000797
     45        6           0.000004411   -0.000003966   -0.000002860
     46        6           0.000004875   -0.000024483   -0.000007302
     47        6          -0.000001517    0.000010004   -0.000001643
     48        6           0.000013139   -0.000007128    0.000021515
     49        6          -0.000010156    0.000004442   -0.000018689
     50        6          -0.000003123    0.000009507   -0.000013795
     51        6           0.000003745    0.000000995   -0.000000395
     52        6           0.000005403    0.000005199    0.000003086
     53        6           0.000005643    0.000014898   -0.000012905
     54        6           0.000001883   -0.000015683    0.000011941
     55        6          -0.000005665   -0.000000281    0.000000656
     56        6           0.000009264   -0.000000457    0.000000998
     57        6           0.000011999   -0.000016101    0.000017437
     58        6           0.000004035    0.000000313    0.000011454
     59        6          -0.000007310    0.000008716    0.000005155
     60        6           0.000000941   -0.000006108    0.000001011
     61        6          -0.000000927    0.000007841   -0.000004753
     62        8           0.000036289   -0.000004866   -0.000041003
     63       15          -0.000050557   -0.000121951    0.000006682
     64        8           0.000077845    0.000156139    0.000047894
     65        8          -0.000050224   -0.000035685   -0.000062469
     66        6           0.000011293   -0.000107648   -0.000049343
     67        6          -0.000003806   -0.000000911    0.000050664
     68        6          -0.000059478    0.000058934    0.000000376
     69        6           0.000010886    0.000015283    0.000033626
     70        1          -0.000018495    0.000003154   -0.000019375
     71        1          -0.000001759   -0.000002128   -0.000004470
     72        1          -0.000003168    0.000011519    0.000005734
     73        1           0.000006424   -0.000000292    0.000008914
     74        1           0.000004627   -0.000009532   -0.000000792
     75        1          -0.000017960   -0.000014069   -0.000003763
     76        1          -0.000011770   -0.000068079    0.000006366
     77        1          -0.000012380   -0.000016228   -0.000014592
     78        1          -0.000005341   -0.000006765    0.000013984
     79        1          -0.000002911    0.000001610   -0.000000871
     80        1          -0.000001801   -0.000003485   -0.000009351
     81        1          -0.000004926    0.000016847   -0.000006556
     82        1          -0.000000615   -0.000004321   -0.000006731
     83        1           0.000018399    0.000007448    0.000010164
     84        1           0.000000447   -0.000001729    0.000003130
     85        1           0.000000651   -0.000003326   -0.000000999
     86        1          -0.000003633    0.000000350    0.000003370
     87        1          -0.000018003    0.000012716    0.000006095
     88        1          -0.000005948   -0.000003308    0.000002449
     89        1          -0.000003737    0.000003899   -0.000014184
     90        1           0.000003766   -0.000003078    0.000005889
     91        1           0.000009116   -0.000000178   -0.000007292
     92        1          -0.000002638    0.000003964    0.000002327
     93        1          -0.000002070   -0.000002076    0.000001322
     94        1          -0.000000344    0.000002073    0.000003542
     95        1           0.000007723    0.000002317   -0.000003788
     96        1           0.000004216   -0.000001923   -0.000002983
     97        1          -0.000000173   -0.000004251   -0.000006491
     98        1          -0.000001776    0.000002045    0.000000597
     99        1           0.000001479    0.000000113   -0.000004480
    100        1           0.000003740    0.000000714    0.000001246
    101        1          -0.000002277    0.000001523   -0.000002361
    102        1           0.000004530    0.000003262   -0.000000934
    103        1          -0.000039408   -0.000002422   -0.000015737
    104        1          -0.000001706    0.000000695   -0.000009434
    105        1          -0.000009063    0.000024167   -0.000010453
    106        1           0.000023291    0.000015821   -0.000009786
    107        1          -0.000040696    0.000005439   -0.000041542
    108        1           0.000051071   -0.000011520    0.000020892
    109        1           0.000026997    0.000040727    0.000018116
    110        1           0.000014389   -0.000004345   -0.000014442
    111        1          -0.000015629   -0.000004436   -0.000010291
    112        1          -0.000012241    0.000012519   -0.000008045
    113       17           0.000115511    0.000084933    0.000108795
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000330654 RMS     0.000049823

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000570450 RMS     0.000051499
 Search for a local minimum.
 Step number  47 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44   45   46
                                                     47
 DE= -1.28D-05 DEPred=-1.70D-05 R= 7.51D-01
 TightC=F SS=  1.41D+00  RLast= 9.06D-02 DXNew= 2.2586D-01 2.7171D-01
 Trust test= 7.51D-01 RLast= 9.06D-02 DXMaxT set to 2.26D-01
 ITU=  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1
 ITU=  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0  1
 ITU=  1  1  0  0  0  1  0
     Eigenvalues ---    0.00128   0.00341   0.00440   0.00597   0.00685
     Eigenvalues ---    0.00749   0.01545   0.01659   0.01957   0.02392
     Eigenvalues ---    0.02485   0.02505   0.02537   0.02555   0.02573
     Eigenvalues ---    0.02587   0.02603   0.02636   0.02676   0.02681
     Eigenvalues ---    0.02697   0.02702   0.02708   0.02714   0.02740
     Eigenvalues ---    0.02746   0.02770   0.02772   0.02788   0.02799
     Eigenvalues ---    0.02803   0.02806   0.02812   0.02813   0.02823
     Eigenvalues ---    0.02838   0.02849   0.02850   0.02861   0.02871
     Eigenvalues ---    0.02874   0.02880   0.02888   0.02895   0.02900
     Eigenvalues ---    0.02904   0.02906   0.02908   0.02914   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02933   0.02944   0.02946
     Eigenvalues ---    0.02950   0.02951   0.02953   0.02955   0.02957
     Eigenvalues ---    0.02962   0.02965   0.02967   0.02968   0.02975
     Eigenvalues ---    0.02990   0.02991   0.02992   0.02995   0.03001
     Eigenvalues ---    0.03018   0.03020   0.03033   0.03048   0.03055
     Eigenvalues ---    0.03059   0.03063   0.03070   0.03081   0.03089
     Eigenvalues ---    0.03093   0.03111   0.03117   0.03123   0.03139
     Eigenvalues ---    0.03161   0.03162   0.03175   0.03178   0.03198
     Eigenvalues ---    0.03223   0.03237   0.03240   0.03268   0.03285
     Eigenvalues ---    0.03369   0.03606   0.03723   0.05103   0.05234
     Eigenvalues ---    0.05443   0.05597   0.05741   0.05859   0.05899
     Eigenvalues ---    0.05957   0.06171   0.06460   0.08769   0.09973
     Eigenvalues ---    0.11802   0.12114   0.13487   0.13851   0.14153
     Eigenvalues ---    0.15134   0.15717   0.15895   0.15933   0.15976
     Eigenvalues ---    0.15986   0.15989   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16003   0.16005
     Eigenvalues ---    0.16006   0.16013   0.16018   0.16024   0.16054
     Eigenvalues ---    0.16072   0.16080   0.16159   0.16205   0.18214
     Eigenvalues ---    0.19846   0.20134   0.20704   0.21818   0.21980
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22007   0.22041
     Eigenvalues ---    0.22352   0.22444   0.22463   0.22538   0.22596
     Eigenvalues ---    0.22602   0.22614   0.22642   0.22665   0.22735
     Eigenvalues ---    0.23271   0.23443   0.23469   0.23780   0.24077
     Eigenvalues ---    0.24243   0.24444   0.24476   0.24492   0.24520
     Eigenvalues ---    0.24533   0.24544   0.24745   0.24781   0.24815
     Eigenvalues ---    0.24912   0.24962   0.24975   0.24977   0.24984
     Eigenvalues ---    0.24984   0.24989   0.25002   0.25046   0.25089
     Eigenvalues ---    0.25163   0.25705   0.25869   0.26531   0.27132
     Eigenvalues ---    0.27139   0.27936   0.28639   0.28743   0.28851
     Eigenvalues ---    0.29162   0.29343   0.29481   0.29702   0.30064
     Eigenvalues ---    0.30415   0.30645   0.30708   0.30829   0.30997
     Eigenvalues ---    0.31063   0.31149   0.31258   0.31403   0.31485
     Eigenvalues ---    0.31547   0.31643   0.32134   0.32232   0.32461
     Eigenvalues ---    0.33132   0.33381   0.33533   0.33960   0.33997
     Eigenvalues ---    0.34363   0.34495   0.34668   0.34873   0.34937
     Eigenvalues ---    0.35155   0.35264   0.35480   0.35603   0.36116
     Eigenvalues ---    0.36392   0.36777   0.37160   0.37309   0.39005
     Eigenvalues ---    0.39236   0.41455   0.41590   0.42073   0.42744
     Eigenvalues ---    0.43256   0.43440   0.43736   0.45289   0.46003
     Eigenvalues ---    0.47072   0.47097   0.47111   0.47257   0.47645
     Eigenvalues ---    0.47874   0.49382   0.49821   0.49931   0.50413
     Eigenvalues ---    0.50588   0.51242   0.51260   0.51714   0.52042
     Eigenvalues ---    0.52128   0.52292   0.52649   0.53105   0.53232
     Eigenvalues ---    0.53402   0.53789   0.54291   0.54347   0.55033
     Eigenvalues ---    0.55135   0.55381   0.55612   0.55698   0.56001
     Eigenvalues ---    0.56180   0.56278   0.56466   0.56638   0.56798
     Eigenvalues ---    0.56948   0.57157   0.57559   0.57893   0.58232
     Eigenvalues ---    0.58288   0.58294   0.58342   0.58505   0.58663
     Eigenvalues ---    0.58929   0.58964   0.59442   0.59718   0.59805
     Eigenvalues ---    0.60049   0.60549   0.60882   0.61389   0.62010
     Eigenvalues ---    0.63240   0.63505   0.64217   0.65097   0.65138
     Eigenvalues ---    0.65854   0.66726   0.67788   0.68857   0.72063
     Eigenvalues ---    0.73035   0.74539   0.78988   0.80806   0.81562
     Eigenvalues ---    0.85426   1.45302   6.51917
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    47   46   45   44   43   42   41   40   39   38
 RFO step:  Lambda=-5.29858126D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=T Rises=F RFO-DIIS coefs:    0.74834   -0.09363    0.13168    0.46706   -0.32753
                  RFO-DIIS coefs:    0.13185   -0.05777    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00540310 RMS(Int)=  0.00000702
 Iteration  2 RMS(Cart)=  0.00001476 RMS(Int)=  0.00000025
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000025
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63968   0.00001  -0.00000  -0.00003  -0.00003   2.63965
    R2        2.65454  -0.00003  -0.00007  -0.00000  -0.00007   2.65447
    R3        2.67491   0.00005   0.00007   0.00004   0.00011   2.67502
    R4        2.64590   0.00002   0.00000   0.00003   0.00003   2.64594
    R5        2.04655   0.00001   0.00003   0.00002   0.00004   2.04659
    R6        2.66481   0.00005   0.00005  -0.00000   0.00004   2.66485
    R7        2.78787   0.00008   0.00015  -0.00004   0.00011   2.78798
    R8        2.64810  -0.00001  -0.00002   0.00001  -0.00001   2.64808
    R9        2.77997   0.00008   0.00005   0.00008   0.00013   2.78010
   R10        2.62087   0.00001  -0.00001   0.00001  -0.00000   2.62087
   R11        2.04809  -0.00000  -0.00001  -0.00001  -0.00002   2.04807
   R12        2.04875   0.00001   0.00003  -0.00000   0.00002   2.04877
   R13        2.67769  -0.00000   0.00002   0.00001   0.00003   2.67772
   R14        2.64530   0.00002  -0.00001   0.00002   0.00001   2.64532
   R15        2.83409   0.00026  -0.00012   0.00015   0.00002   2.83411
   R16        2.64701  -0.00005  -0.00003   0.00001  -0.00002   2.64699
   R17        2.84093   0.00022   0.00010   0.00022   0.00031   2.84125
   R18        2.69046   0.00036  -0.00025   0.00034   0.00009   2.69055
   R19        2.43453  -0.00006  -0.00003  -0.00003  -0.00006   2.43447
   R20        2.63761   0.00001   0.00004  -0.00003   0.00001   2.63762
   R21        2.04595  -0.00001  -0.00001   0.00002   0.00000   2.04595
   R22        2.64456  -0.00005  -0.00005   0.00000  -0.00005   2.64451
   R23        2.67457   0.00005  -0.00005   0.00005   0.00000   2.67458
   R24        2.62349   0.00004   0.00002   0.00001   0.00003   2.62352
   R25        2.04855   0.00001   0.00001  -0.00001   0.00001   2.04856
   R26        2.04120  -0.00001   0.00002  -0.00003  -0.00001   2.04120
   R27        2.69757   0.00004  -0.00004   0.00010   0.00006   2.69763
   R28        3.33356  -0.00008  -0.00009  -0.00001  -0.00010   3.33346
   R29        2.67222  -0.00002  -0.00003  -0.00000  -0.00003   2.67219
   R30        2.65349  -0.00000   0.00004   0.00001   0.00005   2.65354
   R31        2.61412   0.00015  -0.00002   0.00007   0.00005   2.61417
   R32        2.65241   0.00002   0.00010  -0.00002   0.00008   2.65249
   R33        2.62544   0.00001  -0.00009   0.00002  -0.00007   2.62537
   R34        2.03719   0.00006   0.00012  -0.00003   0.00009   2.03729
   R35        2.65109  -0.00000   0.00011  -0.00004   0.00007   2.65116
   R36        2.04943  -0.00000   0.00000   0.00001   0.00001   2.04944
   R37        2.62495   0.00003  -0.00003  -0.00000  -0.00004   2.62492
   R38        2.67950   0.00004  -0.00010   0.00007  -0.00002   2.67948
   R39        2.04789  -0.00001  -0.00001   0.00000  -0.00001   2.04788
   R40        2.65183  -0.00003  -0.00010  -0.00001  -0.00011   2.65171
   R41        2.65207  -0.00003  -0.00009  -0.00003  -0.00012   2.65194
   R42        2.65035  -0.00000   0.00003  -0.00001   0.00002   2.65037
   R43        2.64987  -0.00002  -0.00002  -0.00001  -0.00003   2.64984
   R44        2.64763  -0.00003   0.00002  -0.00005  -0.00004   2.64760
   R45        2.64616  -0.00001  -0.00000  -0.00002  -0.00002   2.64613
   R46        2.67824   0.00001  -0.00001   0.00002   0.00000   2.67824
   R47        2.64060   0.00001  -0.00000   0.00001   0.00000   2.64060
   R48        2.73717  -0.00002  -0.00004   0.00002  -0.00002   2.73714
   R49        2.64478   0.00000  -0.00001   0.00001   0.00000   2.64479
   R50        2.67931   0.00001  -0.00000   0.00001   0.00001   2.67931
   R51        2.64456   0.00000  -0.00001   0.00000  -0.00001   2.64456
   R52        2.64148   0.00001  -0.00001  -0.00000  -0.00001   2.64147
   R53        2.67840   0.00001   0.00001   0.00002   0.00003   2.67842
   R54        2.64105  -0.00000  -0.00002  -0.00000  -0.00002   2.64102
   R55        2.73666  -0.00002  -0.00004   0.00001  -0.00003   2.73664
   R56        2.64450   0.00001   0.00001   0.00001   0.00001   2.64452
   R57        2.67864   0.00001   0.00001   0.00001   0.00002   2.67866
   R58        2.64452   0.00001   0.00002   0.00001   0.00002   2.64455
   R59        2.64122   0.00001   0.00000   0.00000   0.00000   2.64122
   R60        2.67962   0.00001  -0.00004   0.00003  -0.00001   2.67961
   R61        2.64064   0.00001  -0.00001   0.00000  -0.00001   2.64063
   R62        2.73659  -0.00001  -0.00001   0.00002   0.00001   2.73660
   R63        2.64503   0.00001   0.00001   0.00000   0.00001   2.64504
   R64        2.67989   0.00000  -0.00001   0.00001  -0.00000   2.67989
   R65        2.64482   0.00001  -0.00001   0.00001   0.00000   2.64483
   R66        2.64105   0.00001  -0.00001  -0.00001  -0.00001   2.64103
   R67        2.62990  -0.00000  -0.00002   0.00002  -0.00000   2.62990
   R68        2.05259   0.00000  -0.00000   0.00000  -0.00000   2.05259
   R69        2.65485  -0.00000  -0.00002   0.00001  -0.00001   2.65484
   R70        2.05136   0.00001   0.00001   0.00000   0.00001   2.05137
   R71        2.63355   0.00000  -0.00000   0.00000  -0.00000   2.63355
   R72        2.05237   0.00002   0.00004  -0.00001   0.00002   2.05239
   R73        2.04889  -0.00000  -0.00001   0.00001   0.00000   2.04889
   R74        2.63284   0.00000  -0.00001   0.00000  -0.00001   2.63283
   R75        2.04894   0.00002   0.00005  -0.00004   0.00002   2.04895
   R76        2.65523   0.00000  -0.00001   0.00001  -0.00000   2.65523
   R77        2.05213   0.00000   0.00000  -0.00000   0.00000   2.05213
   R78        2.62964  -0.00000  -0.00002   0.00001  -0.00001   2.62963
   R79        2.05144   0.00000   0.00000   0.00000   0.00000   2.05144
   R80        2.05263   0.00000  -0.00000   0.00000   0.00000   2.05263
   R81        2.62978  -0.00001  -0.00002   0.00000  -0.00002   2.62976
   R82        2.05259   0.00002   0.00005  -0.00002   0.00003   2.05262
   R83        2.65438   0.00001   0.00002   0.00001   0.00003   2.65440
   R84        2.05137   0.00000   0.00001  -0.00000   0.00001   2.05137
   R85        2.63280  -0.00000  -0.00004   0.00001  -0.00003   2.63277
   R86        2.05206   0.00001   0.00001  -0.00000   0.00001   2.05207
   R87        2.04825   0.00000   0.00001   0.00001   0.00002   2.04827
   R88        2.63288   0.00000  -0.00001   0.00000  -0.00000   2.63287
   R89        2.04844   0.00001   0.00002  -0.00000   0.00002   2.04845
   R90        2.65471  -0.00000  -0.00000   0.00001   0.00000   2.65471
   R91        2.05212   0.00000  -0.00000   0.00000  -0.00000   2.05212
   R92        2.62953   0.00000  -0.00001   0.00001   0.00001   2.62953
   R93        2.05144  -0.00000  -0.00000   0.00000   0.00000   2.05144
   R94        2.05264   0.00000   0.00000   0.00000   0.00000   2.05264
   R95        2.62987   0.00000  -0.00000   0.00001   0.00001   2.62988
   R96        2.05270   0.00001   0.00001  -0.00000   0.00001   2.05271
   R97        2.65530  -0.00000  -0.00002   0.00001  -0.00001   2.65529
   R98        2.05145   0.00001   0.00001  -0.00000   0.00001   2.05145
   R99        2.63277   0.00001   0.00001   0.00000   0.00001   2.63278
   R100       2.05230   0.00001   0.00001  -0.00000   0.00001   2.05231
   R101       2.04921  -0.00000  -0.00001   0.00001   0.00000   2.04921
   R102       2.63263   0.00001   0.00000  -0.00000  -0.00000   2.63263
   R103       2.04898  -0.00000  -0.00001   0.00001   0.00000   2.04898
   R104       2.65543   0.00000  -0.00001   0.00001   0.00001   2.65543
   R105       2.05223   0.00000  -0.00000   0.00000  -0.00000   2.05223
   R106       2.62959   0.00000  -0.00001   0.00001   0.00000   2.62959
   R107       2.05146  -0.00000  -0.00000   0.00000   0.00000   2.05146
   R108       2.05272   0.00001   0.00001  -0.00000   0.00001   2.05273
   R109       2.78654  -0.00005  -0.00007  -0.00001  -0.00008   2.78646
   R110       3.02615   0.00018   0.00008   0.00002   0.00010   3.02624
   R111       3.04076  -0.00004   0.00029  -0.00015   0.00014   3.04090
   R112       2.77214   0.00002   0.00001  -0.00013  -0.00012   2.77202
   R113       2.76025  -0.00008  -0.00004  -0.00010  -0.00014   2.76011
   R114       2.86309   0.00002   0.00012   0.00004   0.00016   2.86325
   R115       2.06223  -0.00005   0.00014  -0.00001   0.00013   2.06236
   R116       2.06666  -0.00001   0.00001  -0.00003  -0.00002   2.06665
   R117       2.06945  -0.00000  -0.00002   0.00002  -0.00000   2.06945
   R118       2.06649   0.00002   0.00008  -0.00003   0.00004   2.06653
   R119       2.06415   0.00004  -0.00004   0.00004   0.00000   2.06416
   R120       2.86912  -0.00001  -0.00008   0.00003  -0.00005   2.86907
   R121       2.06454   0.00003   0.00011  -0.00001   0.00010   2.06464
   R122       2.06831   0.00003   0.00008   0.00001   0.00009   2.06840
   R123       2.06948   0.00001   0.00000  -0.00000   0.00000   2.06948
   R124       2.06401   0.00000  -0.00001   0.00001  -0.00000   2.06401
   R125       2.06691   0.00001   0.00004  -0.00001   0.00003   2.06694
   R126       5.62867  -0.00007   0.01408  -0.00166   0.01242   5.64109
    A1        2.08883   0.00000  -0.00000   0.00005   0.00004   2.08887
    A2        2.09436   0.00001   0.00004  -0.00003   0.00002   2.09438
    A3        2.09997  -0.00001  -0.00004  -0.00002  -0.00006   2.09991
    A4        2.11044   0.00001   0.00005  -0.00004   0.00000   2.11045
    A5        2.06996  -0.00002  -0.00017   0.00005  -0.00013   2.06983
    A6        2.10253   0.00000   0.00013   0.00000   0.00013   2.10265
    A7        2.07602  -0.00003  -0.00007   0.00001  -0.00006   2.07596
    A8        2.14184   0.00000  -0.00000  -0.00002  -0.00002   2.14182
    A9        2.06158   0.00002   0.00009   0.00001   0.00009   2.06168
   A10        2.09057  -0.00000   0.00000   0.00002   0.00003   2.09060
   A11        2.09514   0.00002   0.00011  -0.00003   0.00008   2.09521
   A12        2.09709  -0.00002  -0.00011   0.00001  -0.00010   2.09699
   A13        2.10804   0.00001   0.00002  -0.00003  -0.00000   2.10803
   A14        2.06729  -0.00000  -0.00003  -0.00000  -0.00004   2.06725
   A15        2.10786  -0.00000   0.00001   0.00003   0.00004   2.10790
   A16        2.09019   0.00001  -0.00001  -0.00000  -0.00001   2.09018
   A17        2.08877  -0.00001   0.00001  -0.00005  -0.00004   2.08874
   A18        2.10421   0.00000   0.00000   0.00005   0.00005   2.10427
   A19        2.09595   0.00002   0.00003   0.00006   0.00009   2.09604
   A20        2.10181  -0.00003   0.00002  -0.00009  -0.00007   2.10174
   A21        2.07938   0.00000  -0.00004   0.00004   0.00000   2.07938
   A22        2.06993  -0.00001   0.00008   0.00002   0.00010   2.07003
   A23        2.06968  -0.00002   0.00003  -0.00005  -0.00003   2.06966
   A24        2.13910   0.00003  -0.00011   0.00003  -0.00007   2.13903
   A25        1.94198  -0.00004   0.00052  -0.00014   0.00038   1.94236
   A26        2.05490   0.00008   0.00018  -0.00005   0.00012   2.05502
   A27        2.01702  -0.00010  -0.00002  -0.00011  -0.00013   2.01689
   A28        2.02707  -0.00003   0.00005   0.00001   0.00005   2.02712
   A29        2.08351   0.00004   0.00002  -0.00006  -0.00004   2.08346
   A30        2.17024  -0.00001  -0.00013   0.00005  -0.00008   2.17016
   A31        2.11872   0.00002   0.00005  -0.00001   0.00005   2.11877
   A32        2.09601  -0.00001  -0.00001  -0.00003  -0.00004   2.09597
   A33        2.06788  -0.00000  -0.00004   0.00004  -0.00000   2.06788
   A34        2.08021  -0.00003  -0.00003  -0.00001  -0.00004   2.08018
   A35        2.09884   0.00004   0.00013  -0.00003   0.00010   2.09895
   A36        2.10334  -0.00001  -0.00009   0.00003  -0.00006   2.10328
   A37        2.09164   0.00001   0.00002   0.00000   0.00002   2.09166
   A38        2.09143  -0.00000   0.00007  -0.00003   0.00004   2.09147
   A39        2.09973  -0.00001  -0.00010   0.00003  -0.00007   2.09966
   A40        2.12163   0.00002   0.00001   0.00003   0.00004   2.12167
   A41        2.09977   0.00001   0.00013   0.00001   0.00014   2.09990
   A42        2.06029  -0.00003  -0.00013  -0.00003  -0.00016   2.06013
   A43        2.08151   0.00001   0.00017  -0.00003   0.00014   2.08165
   A44        2.05666   0.00023   0.00009   0.00002   0.00012   2.05677
   A45        2.08340  -0.00023  -0.00030  -0.00004  -0.00034   2.08306
   A46        2.07642   0.00002  -0.00005   0.00006   0.00001   2.07643
   A47        2.14974  -0.00002   0.00007   0.00001   0.00008   2.14982
   A48        2.05618   0.00000   0.00001  -0.00006  -0.00006   2.05613
   A49        2.14131   0.00000  -0.00003   0.00001  -0.00002   2.14128
   A50        2.10434   0.00000  -0.00000   0.00005   0.00005   2.10440
   A51        2.03735  -0.00000   0.00002  -0.00007  -0.00005   2.03730
   A52        2.07811   0.00007   0.00009   0.00003   0.00011   2.07822
   A53        2.11209   0.00000  -0.00005   0.00003  -0.00001   2.11208
   A54        2.10645  -0.00002  -0.00024   0.00006  -0.00019   2.10626
   A55        2.06463   0.00002   0.00029  -0.00009   0.00020   2.06483
   A56        2.11417   0.00002   0.00012  -0.00002   0.00010   2.11426
   A57        2.08332  -0.00002  -0.00014   0.00004  -0.00010   2.08322
   A58        2.08569   0.00000   0.00002  -0.00002   0.00000   2.08569
   A59        2.06744  -0.00003  -0.00012   0.00003  -0.00009   2.06734
   A60        2.10533  -0.00000  -0.00003  -0.00002  -0.00005   2.10529
   A61        2.11041   0.00003   0.00015  -0.00000   0.00014   2.11056
   A62        2.11175   0.00001   0.00004  -0.00003   0.00001   2.11176
   A63        2.05174  -0.00001  -0.00019   0.00007  -0.00012   2.05162
   A64        2.11967   0.00000   0.00015  -0.00004   0.00011   2.11978
   A65        2.19609  -0.00000  -0.00004   0.00002  -0.00003   2.19606
   A66        2.19701   0.00000   0.00004  -0.00004   0.00000   2.19702
   A67        1.89008  -0.00000   0.00000   0.00002   0.00002   1.89011
   A68        2.19122  -0.00001  -0.00009   0.00005  -0.00004   2.19118
   A69        2.20053   0.00001   0.00011  -0.00007   0.00004   2.20056
   A70        1.89140  -0.00000  -0.00002   0.00001  -0.00001   1.89140
   A71        2.19615   0.00000  -0.00000   0.00000  -0.00000   2.19615
   A72        2.19519  -0.00000   0.00003  -0.00002   0.00001   2.19520
   A73        1.89171   0.00000  -0.00002   0.00003   0.00000   1.89172
   A74        1.90049   0.00000   0.00000  -0.00001  -0.00001   1.90049
   A75        2.25861   0.00001   0.00004  -0.00000   0.00004   2.25865
   A76        2.12345  -0.00001  -0.00005   0.00001  -0.00003   2.12342
   A77        1.86633  -0.00001  -0.00000   0.00000   0.00000   1.86634
   A78        2.08604   0.00001   0.00004  -0.00002   0.00002   2.08606
   A79        2.33074   0.00000  -0.00004   0.00002  -0.00002   2.33072
   A80        1.86649  -0.00000   0.00001  -0.00001   0.00000   1.86649
   A81        2.33003  -0.00000  -0.00003   0.00003   0.00000   2.33003
   A82        2.08656   0.00000   0.00002  -0.00002  -0.00000   2.08656
   A83        1.90005   0.00001   0.00000   0.00001   0.00001   1.90006
   A84        2.26164   0.00001   0.00002  -0.00003  -0.00001   2.26164
   A85        2.12068  -0.00001  -0.00003   0.00003   0.00000   2.12068
   A86        1.90066   0.00001   0.00003  -0.00001   0.00002   1.90068
   A87        2.26106  -0.00001  -0.00004  -0.00002  -0.00006   2.26099
   A88        2.12068   0.00000   0.00003   0.00004   0.00007   2.12075
   A89        1.86680  -0.00001  -0.00003  -0.00000  -0.00003   1.86677
   A90        2.08744  -0.00000  -0.00003  -0.00003  -0.00006   2.08738
   A91        2.32882   0.00001   0.00007   0.00003   0.00010   2.32892
   A92        1.86665  -0.00001  -0.00002  -0.00001  -0.00003   1.86662
   A93        2.32891   0.00001   0.00005   0.00002   0.00007   2.32898
   A94        2.08758   0.00000  -0.00003  -0.00002  -0.00004   2.08754
   A95        1.90058   0.00001   0.00002  -0.00000   0.00002   1.90060
   A96        2.26312  -0.00000  -0.00004  -0.00002  -0.00007   2.26306
   A97        2.11891  -0.00001   0.00003   0.00002   0.00005   2.11897
   A98        1.90079   0.00001   0.00001  -0.00000   0.00001   1.90080
   A99        2.25964  -0.00000  -0.00002  -0.00003  -0.00005   2.25959
   A100       2.12239  -0.00001   0.00002   0.00003   0.00004   2.12243
   A101       1.86565  -0.00001   0.00001  -0.00001  -0.00000   1.86565
   A102       2.08589   0.00000  -0.00000  -0.00003  -0.00003   2.08587
   A103       2.33159   0.00000  -0.00000   0.00004   0.00003   2.33162
   A104       1.86533  -0.00001  -0.00001  -0.00001  -0.00002   1.86532
   A105       2.33197   0.00001   0.00004   0.00003   0.00007   2.33204
   A106       2.08581  -0.00001  -0.00003  -0.00003  -0.00005   2.08576
   A107       1.90128   0.00000   0.00001  -0.00001   0.00001   1.90129
   A108       2.25949  -0.00000  -0.00003  -0.00003  -0.00006   2.25944
   A109       2.12195   0.00000   0.00002   0.00004   0.00006   2.12201
   A110       2.08029   0.00000  -0.00000  -0.00000  -0.00000   2.08028
   A111       2.09984   0.00000   0.00001   0.00001   0.00002   2.09986
   A112       2.10304  -0.00000  -0.00001  -0.00000  -0.00001   2.10303
   A113       2.10384   0.00000  -0.00000   0.00001   0.00001   2.10385
   A114       2.09187  -0.00000  -0.00001  -0.00001  -0.00002   2.09185
   A115       2.08744  -0.00000   0.00001  -0.00000   0.00001   2.08745
   A116       2.11932  -0.00000  -0.00000  -0.00001  -0.00001   2.11931
   A117       2.08580  -0.00000  -0.00000   0.00000  -0.00000   2.08580
   A118       2.07802   0.00000   0.00001   0.00000   0.00001   2.07804
   A119       2.05536   0.00001   0.00002  -0.00001   0.00001   2.05537
   A120       2.11886  -0.00000   0.00002  -0.00002  -0.00000   2.11886
   A121       2.10887  -0.00001  -0.00004   0.00003  -0.00001   2.10886
   A122       2.05285   0.00001   0.00002  -0.00000   0.00002   2.05287
   A123       2.11912  -0.00000   0.00001  -0.00001  -0.00000   2.11912
   A124       2.11116  -0.00000  -0.00003   0.00001  -0.00002   2.11115
   A125       2.12027   0.00000   0.00001  -0.00001   0.00000   2.12027
   A126       2.07761  -0.00000  -0.00002   0.00001  -0.00001   2.07760
   A127       2.08530  -0.00000   0.00001  -0.00001   0.00000   2.08530
   A128       2.10453  -0.00000  -0.00002   0.00001  -0.00001   2.10452
   A129       2.08710   0.00000  -0.00000   0.00000  -0.00000   2.08710
   A130       2.09153   0.00000   0.00002  -0.00001   0.00001   2.09154
   A131       2.07902   0.00000  -0.00000   0.00001   0.00000   2.07902
   A132       2.10058   0.00000  -0.00000  -0.00000  -0.00000   2.10058
   A133       2.10357  -0.00000   0.00000  -0.00001  -0.00000   2.10357
   A134       2.08025  -0.00000  -0.00000   0.00000   0.00000   2.08025
   A135       2.09960   0.00000   0.00001  -0.00000   0.00001   2.09961
   A136       2.10333  -0.00000  -0.00001   0.00000  -0.00001   2.10332
   A137       2.10345  -0.00000   0.00001   0.00001   0.00002   2.10347
   A138       2.09214  -0.00000  -0.00001   0.00000  -0.00001   2.09213
   A139       2.08759   0.00000  -0.00000  -0.00001  -0.00001   2.08758
   A140       2.11899   0.00000   0.00001  -0.00000   0.00001   2.11899
   A141       2.08819  -0.00001  -0.00006  -0.00001  -0.00007   2.08812
   A142       2.07600   0.00000   0.00005   0.00001   0.00006   2.07607
   A143       2.05694   0.00000  -0.00002  -0.00001  -0.00003   2.05691
   A144       2.12046  -0.00001  -0.00007  -0.00001  -0.00008   2.12038
   A145       2.10576   0.00000   0.00009   0.00002   0.00011   2.10587
   A146       2.05469   0.00000  -0.00001  -0.00001  -0.00002   2.05467
   A147       2.11962  -0.00001  -0.00002  -0.00003  -0.00004   2.11957
   A148       2.10882   0.00000   0.00003   0.00004   0.00007   2.10888
   A149       2.12015  -0.00000  -0.00000  -0.00001  -0.00002   2.12013
   A150       2.07739   0.00001   0.00004   0.00000   0.00004   2.07743
   A151       2.08563  -0.00000  -0.00003   0.00001  -0.00002   2.08561
   A152       2.10368   0.00000   0.00001   0.00002   0.00003   2.10371
   A153       2.08744   0.00000   0.00001  -0.00001   0.00000   2.08744
   A154       2.09204  -0.00000  -0.00002  -0.00001  -0.00003   2.09201
   A155       2.07944   0.00000   0.00000   0.00000   0.00001   2.07945
   A156       2.10009   0.00000   0.00002   0.00001   0.00003   2.10012
   A157       2.10363  -0.00000  -0.00002  -0.00001  -0.00003   2.10360
   A158       2.07999   0.00000   0.00001  -0.00000   0.00001   2.08000
   A159       2.10016   0.00000   0.00003  -0.00000   0.00003   2.10019
   A160       2.10303  -0.00001  -0.00004   0.00000  -0.00004   2.10299
   A161       2.10427   0.00000   0.00001   0.00001   0.00003   2.10430
   A162       2.09177  -0.00000  -0.00001  -0.00001  -0.00002   2.09175
   A163       2.08713  -0.00000  -0.00000  -0.00000  -0.00000   2.08712
   A164       2.11955  -0.00000  -0.00002  -0.00000  -0.00002   2.11953
   A165       2.08514  -0.00000   0.00000  -0.00000   0.00000   2.08514
   A166       2.07848   0.00000   0.00002   0.00001   0.00002   2.07850
   A167       2.05464   0.00000  -0.00000  -0.00002  -0.00002   2.05462
   A168       2.11753  -0.00000  -0.00001  -0.00001  -0.00003   2.11750
   A169       2.11099   0.00000   0.00001   0.00003   0.00004   2.11103
   A170       2.05412   0.00000   0.00000  -0.00001  -0.00001   2.05410
   A171       2.11799  -0.00000  -0.00001  -0.00002  -0.00003   2.11796
   A172       2.11107  -0.00000   0.00001   0.00003   0.00005   2.11112
   A173       2.11992  -0.00000  -0.00002  -0.00000  -0.00002   2.11990
   A174       2.07804   0.00001   0.00002   0.00001   0.00003   2.07807
   A175       2.08522  -0.00000  -0.00001  -0.00000  -0.00001   2.08522
   A176       2.10428   0.00001   0.00002   0.00001   0.00003   2.10431
   A177       2.08710  -0.00000  -0.00001  -0.00001  -0.00002   2.08708
   A178       2.09181  -0.00000  -0.00001  -0.00001  -0.00001   2.09179
   A179       2.07966  -0.00000  -0.00001   0.00000  -0.00001   2.07965
   A180       2.10030   0.00000   0.00002  -0.00000   0.00002   2.10032
   A181       2.10322  -0.00000  -0.00001  -0.00000  -0.00001   2.10321
   A182       2.01343   0.00003   0.00019   0.00005   0.00024   2.01367
   A183       1.84604   0.00007  -0.00041  -0.00042  -0.00083   1.84521
   A184       1.71742  -0.00005  -0.00019   0.00019   0.00000   1.71742
   A185       2.02494   0.00006   0.00025   0.00006   0.00031   2.02525
   A186       2.04105   0.00001  -0.00013  -0.00008  -0.00021   2.04084
   A187       1.78065  -0.00015   0.00021   0.00018   0.00039   1.78104
   A188       2.12745   0.00057  -0.00016  -0.00012  -0.00028   2.12718
   A189       2.08132  -0.00020  -0.00138   0.00038  -0.00100   2.08032
   A190       1.90969   0.00002   0.00025  -0.00008   0.00017   1.90986
   A191       1.90322   0.00022  -0.00018   0.00004  -0.00014   1.90308
   A192       1.83751  -0.00012  -0.00035   0.00015  -0.00021   1.83730
   A193       1.95679  -0.00029   0.00053  -0.00047   0.00007   1.95685
   A194       1.95048   0.00009  -0.00009   0.00020   0.00011   1.95059
   A195       1.90192   0.00009  -0.00021   0.00020  -0.00002   1.90190
   A196       1.90662   0.00004   0.00013   0.00012   0.00024   1.90686
   A197       1.93799   0.00003  -0.00020   0.00015  -0.00005   1.93794
   A198       1.93255  -0.00007  -0.00022  -0.00020  -0.00042   1.93213
   A199       1.89129  -0.00001   0.00001   0.00003   0.00004   1.89134
   A200       1.88919   0.00001   0.00012  -0.00007   0.00005   1.88924
   A201       1.90509   0.00001   0.00018  -0.00003   0.00015   1.90524
   A202       1.94397  -0.00000   0.00009  -0.00003   0.00006   1.94403
   A203       1.82290   0.00001   0.00027  -0.00001   0.00025   1.82315
   A204       1.90536  -0.00003  -0.00022  -0.00005  -0.00027   1.90509
   A205       1.94877   0.00001  -0.00006   0.00005  -0.00001   1.94875
   A206       1.95103   0.00004   0.00036   0.00001   0.00037   1.95141
   A207       1.88655  -0.00003  -0.00046   0.00003  -0.00043   1.88612
   A208       1.91178  -0.00001  -0.00002  -0.00001  -0.00003   1.91175
   A209       1.93191   0.00003   0.00034  -0.00004   0.00030   1.93221
   A210       1.93124  -0.00001  -0.00027   0.00006  -0.00021   1.93103
   A211       1.89856   0.00001   0.00028  -0.00004   0.00024   1.89880
   A212       1.88800   0.00001  -0.00003  -0.00000  -0.00003   1.88796
   A213       1.90150  -0.00001  -0.00030   0.00004  -0.00026   1.90124
   A214       2.07933  -0.00033  -0.00788  -0.00002  -0.00790   2.07143
    D1       -0.00172   0.00000   0.00018  -0.00005   0.00013  -0.00159
    D2        3.11535   0.00001   0.00029   0.00020   0.00049   3.11584
    D3        3.13237   0.00000   0.00034  -0.00009   0.00025   3.13262
    D4       -0.03374   0.00001   0.00044   0.00016   0.00061  -0.03313
    D5       -0.03733   0.00000  -0.00013   0.00008  -0.00005  -0.03738
    D6        3.10761   0.00000   0.00007   0.00007   0.00014   3.10775
    D7        3.11179   0.00000  -0.00029   0.00011  -0.00017   3.11161
    D8       -0.02646   0.00000  -0.00008   0.00010   0.00002  -0.02644
    D9        2.26639  -0.00004  -0.00158  -0.00047  -0.00205   2.26434
   D10       -0.87371  -0.00003  -0.00156  -0.00031  -0.00187  -0.87558
   D11       -0.88275  -0.00003  -0.00142  -0.00051  -0.00193  -0.88468
   D12        2.26034  -0.00003  -0.00140  -0.00034  -0.00175   2.25859
   D13        0.05544  -0.00000  -0.00002  -0.00005  -0.00007   0.05536
   D14       -2.99148   0.00000  -0.00021  -0.00008  -0.00029  -2.99177
   D15       -3.06118  -0.00001  -0.00013  -0.00031  -0.00044  -3.06162
   D16        0.17508  -0.00001  -0.00031  -0.00034  -0.00065   0.17443
   D17       -0.07052   0.00000  -0.00019   0.00013  -0.00006  -0.07058
   D18        3.04109   0.00001  -0.00011   0.00015   0.00004   3.04113
   D19        2.98077  -0.00001  -0.00002   0.00016   0.00014   2.98091
   D20       -0.19080  -0.00000   0.00006   0.00018   0.00024  -0.19056
   D21       -2.91755   0.00001   0.00006   0.00006   0.00012  -2.91743
   D22        0.34296   0.00001  -0.00002  -0.00006  -0.00007   0.34288
   D23        0.31798   0.00002  -0.00012   0.00003  -0.00009   0.31789
   D24       -2.70470   0.00002  -0.00019  -0.00009  -0.00028  -2.70498
   D25        0.03254   0.00000   0.00025  -0.00010   0.00014   0.03268
   D26       -3.11201   0.00000   0.00015  -0.00006   0.00009  -3.11192
   D27       -3.07904  -0.00000   0.00016  -0.00013   0.00004  -3.07900
   D28        0.05960  -0.00000   0.00007  -0.00008  -0.00001   0.05959
   D29       -0.35952  -0.00003   0.00069  -0.00029   0.00040  -0.35912
   D30        2.85283   0.00000   0.00168  -0.00025   0.00142   2.85426
   D31        2.75198  -0.00002   0.00077  -0.00027   0.00050   2.75248
   D32       -0.31885   0.00000   0.00176  -0.00023   0.00153  -0.31733
   D33        0.02183  -0.00000  -0.00008  -0.00000  -0.00008   0.02174
   D34       -3.12314  -0.00000  -0.00029   0.00001  -0.00028  -3.12342
   D35       -3.11674  -0.00000   0.00001  -0.00005  -0.00004  -3.11677
   D36        0.02148  -0.00000  -0.00019  -0.00003  -0.00023   0.02125
   D37        0.12347   0.00001  -0.00054  -0.00010  -0.00064   0.12284
   D38       -2.91933   0.00002  -0.00052  -0.00011  -0.00063  -2.91996
   D39       -3.13550   0.00000  -0.00047   0.00001  -0.00045  -3.13596
   D40        0.10488   0.00001  -0.00045   0.00000  -0.00045   0.10444
   D41        2.97536  -0.00001   0.00029   0.00012   0.00041   2.97577
   D42       -0.12924  -0.00001  -0.00001   0.00017   0.00016  -0.12908
   D43       -0.04844  -0.00000   0.00021   0.00001   0.00021  -0.04823
   D44        3.13014  -0.00000  -0.00009   0.00005  -0.00004   3.13010
   D45       -0.64333  -0.00002   0.00109   0.00004   0.00114  -0.64219
   D46       -3.02936   0.00010   0.00031   0.00045   0.00076  -3.02860
   D47        2.39532  -0.00003   0.00108   0.00005   0.00113   2.39645
   D48        0.00929   0.00009   0.00030   0.00046   0.00075   0.01004
   D49       -0.08380  -0.00001   0.00029   0.00000   0.00029  -0.08351
   D50        2.99789  -0.00000   0.00043   0.00003   0.00047   2.99836
   D51       -3.12246  -0.00000   0.00030  -0.00001   0.00029  -3.12218
   D52       -0.04077   0.00001   0.00045   0.00002   0.00047  -0.04030
   D53        0.75607   0.00002  -0.00117   0.00015  -0.00101   0.75505
   D54       -2.46021  -0.00001  -0.00220   0.00010  -0.00210  -2.46231
   D55       -3.12349  -0.00002  -0.00032  -0.00022  -0.00053  -3.12402
   D56       -0.05658  -0.00004  -0.00135  -0.00026  -0.00161  -0.05820
   D57        2.41696  -0.00014   0.00005  -0.00046  -0.00040   2.41656
   D58       -1.09650  -0.00015  -0.00013  -0.00060  -0.00072  -1.09722
   D59        0.06254  -0.00004  -0.00099  -0.00003  -0.00102   0.06152
   D60        2.83226  -0.00005  -0.00117  -0.00016  -0.00134   2.83092
   D61        3.09464   0.00004   0.00089   0.00021   0.00110   3.09574
   D62        0.02999   0.00007   0.00196   0.00025   0.00221   0.03220
   D63       -0.03233   0.00000   0.00020  -0.00002   0.00018  -0.03214
   D64       -3.13148  -0.00000  -0.00003  -0.00001  -0.00004  -3.13151
   D65        3.07286  -0.00000   0.00049  -0.00006   0.00043   3.07329
   D66       -0.02629  -0.00000   0.00026  -0.00005   0.00021  -0.02608
   D67        0.05522  -0.00000  -0.00036   0.00002  -0.00034   0.05488
   D68       -3.05626  -0.00000  -0.00015  -0.00004  -0.00019  -3.05646
   D69       -3.12893   0.00000  -0.00012   0.00001  -0.00012  -3.12905
   D70        0.04278   0.00000   0.00008  -0.00005   0.00003   0.04281
   D71       -2.24034   0.00003   0.00056   0.00044   0.00101  -2.23934
   D72        0.89075   0.00001  -0.00016   0.00007  -0.00009   0.89066
   D73        0.94426   0.00003   0.00033   0.00045   0.00079   0.94504
   D74       -2.20784   0.00001  -0.00040   0.00008  -0.00031  -2.20815
   D75        0.00338   0.00001   0.00011  -0.00001   0.00010   0.00349
   D76       -3.07962  -0.00000  -0.00004  -0.00004  -0.00008  -3.07970
   D77        3.11472   0.00001  -0.00009   0.00005  -0.00004   3.11467
   D78        0.03172  -0.00000  -0.00025   0.00002  -0.00023   0.03149
   D79       -0.04782   0.00009   0.00257   0.00029   0.00286  -0.04496
   D80        3.13877   0.00006   0.00181   0.00021   0.00202   3.14079
   D81       -2.81181   0.00000   0.00267   0.00041   0.00309  -2.80872
   D82        0.37479  -0.00002   0.00190   0.00034   0.00224   0.37703
   D83        0.15415  -0.00003   0.00069   0.00001   0.00070   0.15485
   D84       -2.10897  -0.00020   0.00056   0.00024   0.00080  -2.10817
   D85        2.33985  -0.00004   0.00049   0.00008   0.00057   2.34043
   D86        2.92346   0.00001   0.00061  -0.00012   0.00049   2.92395
   D87        0.66034  -0.00016   0.00048   0.00011   0.00058   0.66092
   D88       -1.17402  -0.00000   0.00041  -0.00005   0.00036  -1.17366
   D89        0.01978  -0.00007  -0.00208  -0.00032  -0.00240   0.01737
   D90       -3.10025  -0.00004  -0.00117  -0.00026  -0.00143  -3.10168
   D91        3.11878  -0.00004  -0.00135  -0.00024  -0.00160   3.11718
   D92       -0.00125  -0.00002  -0.00044  -0.00018  -0.00062  -0.00187
   D93        3.12027   0.00003   0.00109   0.00016   0.00125   3.12152
   D94       -0.02694   0.00003   0.00138   0.00011   0.00150  -0.02544
   D95        0.02319   0.00001   0.00033   0.00008   0.00041   0.02360
   D96       -3.12402   0.00001   0.00063   0.00003   0.00066  -3.12336
   D97       -0.01072  -0.00002  -0.00021   0.00005  -0.00016  -0.01088
   D98        3.11009  -0.00004  -0.00109  -0.00001  -0.00110   3.10899
   D99       -0.01939   0.00001   0.00013   0.00017   0.00030  -0.01909
   D100       3.11402   0.00000   0.00007   0.00018   0.00025   3.11427
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   D102      -0.00726   0.00003   0.00094   0.00024   0.00117  -0.00608
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   D321       1.05554  -0.00025  -0.00264  -0.00118  -0.00382   1.05171
   D322      -3.05915  -0.00027  -0.00255  -0.00110  -0.00365  -3.06280
   D323       3.09659  -0.00000  -0.00176   0.00038  -0.00138   3.09521
   D324      -1.09316   0.00001  -0.00122   0.00030  -0.00093  -1.09409
   D325       1.01664   0.00001  -0.00155   0.00036  -0.00119   1.01545
   D326       1.06609  -0.00002  -0.00212   0.00039  -0.00172   1.06436
   D327      -3.12366  -0.00000  -0.00157   0.00030  -0.00127  -3.12493
   D328      -1.01386  -0.00001  -0.00190   0.00036  -0.00153  -1.01539
   D329      -1.04983  -0.00002  -0.00173   0.00031  -0.00142  -1.05125
   D330       1.04361  -0.00000  -0.00119   0.00022  -0.00097   1.04264
   D331      -3.12977  -0.00001  -0.00151   0.00028  -0.00123  -3.13100
         Item               Value     Threshold  Converged?
 Maximum Force            0.000570     0.000450     NO 
 RMS     Force            0.000051     0.000300     YES
 Maximum Displacement     0.028820     0.001800     NO 
 RMS     Displacement     0.005403     0.001200     NO 
 Predicted change in Energy=-2.366371D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.595077    3.246184    0.119322
      2          6           0       -2.753897    1.865720    0.261671
      3          6           0       -1.650033    1.005720    0.213094
      4          6           0       -0.359157    1.558754    0.085024
      5          6           0       -0.207609    2.942454   -0.076433
      6          6           0       -1.311186    3.782464   -0.073481
      7          6           0       -1.784526   -0.462934    0.173382
      8          6           0       -0.653412   -1.286333    0.397987
      9          6           0        0.629639   -0.641420    0.830551
     10          6           0        0.825332    0.689339    0.158712
     11          6           0       -2.989688   -1.053853   -0.224053
     12          6           0       -3.084036   -2.426646   -0.457949
     13          6           0       -1.939320   -3.221173   -0.328668
     14          6           0       -0.745814   -2.650048    0.091758
     15          7           0        1.789119   -1.463396    0.914851
     16          6           0        3.038346   -0.958545    0.443282
     17          6           0        3.079305    0.326120   -0.146235
     18          7           0        1.958718    1.127982   -0.268675
     19          6           0        4.231701   -1.697251    0.487691
     20          6           0        5.418606   -1.170185   -0.005845
     21          6           0        5.458440    0.104108   -0.591349
     22          6           0        4.280068    0.835924   -0.664372
     23          7           0       -3.725880    4.096703    0.160714
     24          7           0       -4.311738   -2.997089   -0.870850
     25          7           0        6.675058    0.629655   -1.095465
     26          6           0       -4.943839   -4.095087   -0.269269
     27          6           0       -6.156579   -4.358127   -0.953894
     28          6           0       -6.261328   -3.380335   -2.017337
     29          6           0       -5.109231   -2.557834   -1.937302
     30          6           0       -3.860013    5.246758    0.953448
     31          6           0       -5.132208    5.823798    0.713756
     32          6           0       -5.797205    4.988693   -0.264795
     33          6           0       -4.905310    3.933649   -0.582081
     34          6           0        7.254513    1.851735   -0.729826
     35          6           0        8.474836    2.010665   -1.434269
     36          6           0        8.638443    0.834609   -2.263276
     37          6           0        7.512057    0.005583   -2.028596
     38          6           0       -7.207739   -3.146748   -3.021416
     39          6           0       -6.992959   -2.114475   -3.929744
     40          6           0       -5.835424   -1.322398   -3.849690
     41          6           0       -4.877984   -1.532857   -2.859148
     42          6           0       -4.554360   -4.841446    0.846000
     43          6           0       -5.390920   -5.878365    1.253520
     44          6           0       -6.588392   -6.164353    0.576361
     45          6           0       -6.978344   -5.406004   -0.523286
     46          6           0       -7.045526    5.051594   -0.894203
     47          6           0       -7.385386    4.076073   -1.826637
     48          6           0       -6.483726    3.046425   -2.142665
     49          6           0       -5.234107    2.962888   -1.532348
     50          6           0       -2.976524    5.789643    1.890423
     51          6           0       -3.375688    6.940438    2.566815
     52          6           0       -4.625042    7.536227    2.326715
     53          6           0       -5.508409    6.979956    1.406679
     54          6           0        9.616888    0.425760   -3.176685
     55          6           0        9.459758   -0.786496   -3.841889
     56          6           0        8.330053   -1.588669   -3.608133
     57          6           0        7.341355   -1.205826   -2.704292
     58          6           0        6.809049    2.806574    0.188029
     59          6           0        7.598416    3.938443    0.379269
     60          6           0        8.804068    4.118414   -0.319723
     61          6           0        9.248110    3.158204   -1.223683
     62          8           0        0.475815   -3.052932    2.721456
     63         15           0        1.776081   -2.789644    2.077844
     64          8           0        3.006057   -2.512986    3.065348
     65          8           0        2.364343   -3.944505    1.124066
     66          6           0        2.811511   -1.952773    4.407016
     67          6           0        3.619508   -0.678262    4.542989
     68          6           0        2.589701   -5.278000    1.675720
     69          6           0        1.344274   -6.139565    1.567597
     70          1           0       -3.748602    1.473444    0.433690
     71          1           0        0.792460    3.341195   -0.200840
     72          1           0       -1.191405    4.850595   -0.215474
     73          1           0       -3.866354   -0.440470   -0.389572
     74          1           0       -1.981804   -4.273805   -0.584251
     75          1           0        0.132992   -3.277184    0.125474
     76          1           0        4.249678   -2.688372    0.911515
     77          1           0        6.329981   -1.753634    0.066017
     78          1           0        4.250148    1.814798   -1.128375
     79          1           0       -8.095642   -3.768256   -3.093180
     80          1           0       -7.720536   -1.923184   -4.712324
     81          1           0       -5.675798   -0.533202   -4.578566
     82          1           0       -3.979075   -0.928046   -2.817774
     83          1           0       -3.639732   -4.618484    1.383922
     84          1           0       -5.110256   -6.473506    2.117408
     85          1           0       -7.216610   -6.980321    0.919889
     86          1           0       -7.910616   -5.619605   -1.038148
     87          1           0       -7.738171    5.854459   -0.658662
     88          1           0       -8.352926    4.111177   -2.317585
     89          1           0       -6.762013    2.295047   -2.875595
     90          1           0       -4.542042    2.171461   -1.796028
     91          1           0       -2.016826    5.329312    2.095649
     92          1           0       -2.705028    7.380941    3.298546
     93          1           0       -4.904388    8.433704    2.869827
     94          1           0       -6.480315    7.432373    1.231844
     95          1           0       10.485175    1.050205   -3.366626
     96          1           0       10.212441   -1.114658   -4.552007
     97          1           0        8.220142   -2.526246   -4.145107
     98          1           0        6.466616   -1.825071   -2.539137
     99          1           0        5.883560    2.672777    0.736863
    100          1           0        7.272337    4.695778    1.086021
    101          1           0        9.393991    5.013599   -0.149045
    102          1           0       10.184657    3.294217   -1.756912
    103          1           0        1.745937   -1.783259    4.570959
    104          1           0        3.158286   -2.728104    5.095942
    105          1           0        3.542152   -0.309594    5.571265
    106          1           0        4.674977   -0.856899    4.319486
    107          1           0        3.236958    0.094822    3.872820
    108          1           0        3.412927   -5.683081    1.082512
    109          1           0        2.931234   -5.185152    2.711469
    110          1           0        1.560246   -7.144484    1.945462
    111          1           0        0.526862   -5.711921    2.152334
    112          1           0        1.026157   -6.228275    0.524867
    113         17           0        0.303323    0.112618    2.772198
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351475           0.0181742           0.0142784
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10698.1819964251 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000135   -0.000029    0.000043 Ang=  -0.02 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48657350     A.U. after    9 cycles
            NFock=  9  Conv=0.83D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000031158   -0.000016479    0.000000711
      2        6           0.000004969    0.000010276    0.000030343
      3        6          -0.000013088   -0.000000822   -0.000013369
      4        6          -0.000031963    0.000023775   -0.000010351
      5        6           0.000007354   -0.000002678    0.000010529
      6        6          -0.000021493   -0.000006760   -0.000014751
      7        6           0.000033318   -0.000025812   -0.000011738
      8        6          -0.000163627   -0.000134055   -0.000210310
      9        6          -0.000189841    0.000031694    0.000335239
     10        6           0.000111389    0.000177526   -0.000222862
     11        6          -0.000005299   -0.000013969    0.000014661
     12        6           0.000035998    0.000017813    0.000023936
     13        6          -0.000049426    0.000014041   -0.000016422
     14        6           0.000022813    0.000067168    0.000011001
     15        7           0.000229780   -0.000199045    0.000039710
     16        6           0.000036362    0.000030897   -0.000060854
     17        6           0.000128503   -0.000053195    0.000009142
     18        7          -0.000146943    0.000002102    0.000052679
     19        6          -0.000044688    0.000003692   -0.000013156
     20        6           0.000028972    0.000057553    0.000010952
     21        6          -0.000039857   -0.000041153   -0.000007725
     22        6          -0.000047746   -0.000007820   -0.000003796
     23        7          -0.000032592    0.000043147   -0.000014044
     24        7          -0.000024786   -0.000056598   -0.000069721
     25        7           0.000127037    0.000013951    0.000053863
     26        6          -0.000007856    0.000039295    0.000025523
     27        6          -0.000012835    0.000003931   -0.000001518
     28        6          -0.000004957   -0.000005963    0.000004024
     29        6           0.000030758   -0.000014911    0.000025158
     30        6          -0.000007468   -0.000042000    0.000014831
     31        6          -0.000012983   -0.000014956    0.000008216
     32        6           0.000000991    0.000013826   -0.000003274
     33        6           0.000028458    0.000013831    0.000000408
     34        6          -0.000015603   -0.000054948   -0.000010360
     35        6           0.000015108   -0.000002597   -0.000002482
     36        6          -0.000013489    0.000024560   -0.000013710
     37        6          -0.000061799    0.000036930   -0.000033535
     38        6          -0.000002512   -0.000001087   -0.000003342
     39        6           0.000000182   -0.000000681    0.000005470
     40        6           0.000005376   -0.000001463    0.000000096
     41        6          -0.000003449    0.000000668   -0.000006826
     42        6          -0.000011093   -0.000012304   -0.000013664
     43        6          -0.000000183   -0.000000136    0.000001575
     44        6           0.000000109   -0.000003157   -0.000001106
     45        6           0.000000634   -0.000000666   -0.000001841
     46        6           0.000004220   -0.000008889   -0.000003196
     47        6          -0.000001900    0.000000540   -0.000000118
     48        6           0.000002209   -0.000001554    0.000007013
     49        6          -0.000000738    0.000000640   -0.000003463
     50        6          -0.000001368    0.000008491   -0.000006537
     51        6           0.000003796    0.000000304    0.000000596
     52        6          -0.000000033    0.000002473    0.000003949
     53        6           0.000001716    0.000008356   -0.000007256
     54        6           0.000004028   -0.000011129    0.000006056
     55        6           0.000000080    0.000002698   -0.000001040
     56        6           0.000000090   -0.000000769    0.000001465
     57        6           0.000011642   -0.000010867    0.000009768
     58        6           0.000003774    0.000000622    0.000010728
     59        6          -0.000005126    0.000003785    0.000004619
     60        6          -0.000000476    0.000000123   -0.000002293
     61        6           0.000000449    0.000003670   -0.000001620
     62        8           0.000006362   -0.000023315    0.000001241
     63       15           0.000007909    0.000040584   -0.000092196
     64        8           0.000036528    0.000065203    0.000035321
     65        8          -0.000058568   -0.000030659    0.000016891
     66        6           0.000011594   -0.000058886   -0.000002819
     67        6          -0.000011765   -0.000023093    0.000010593
     68        6           0.000029922    0.000002552    0.000005728
     69        6           0.000005444    0.000010594   -0.000006010
     70        1          -0.000003260    0.000002837   -0.000007754
     71        1           0.000001688    0.000001162   -0.000001576
     72        1          -0.000002394    0.000008085    0.000003399
     73        1           0.000007073   -0.000000771   -0.000004634
     74        1          -0.000000515   -0.000008939    0.000001919
     75        1          -0.000010199   -0.000003289   -0.000004721
     76        1          -0.000000696   -0.000020704   -0.000001451
     77        1          -0.000002700   -0.000002707   -0.000006154
     78        1           0.000006893    0.000000247    0.000003873
     79        1          -0.000002077    0.000000679    0.000000290
     80        1          -0.000002170   -0.000000206   -0.000004968
     81        1          -0.000001969    0.000008038   -0.000004978
     82        1          -0.000002593    0.000000835    0.000001373
     83        1           0.000014862    0.000005971    0.000007611
     84        1           0.000000253   -0.000001352    0.000001809
     85        1          -0.000000879   -0.000001368    0.000000551
     86        1          -0.000001732   -0.000000816    0.000000737
     87        1          -0.000009167    0.000006586    0.000002856
     88        1          -0.000002707   -0.000000309   -0.000000333
     89        1          -0.000002053    0.000000263   -0.000005790
     90        1           0.000003801   -0.000002274    0.000001766
     91        1           0.000006366   -0.000002579   -0.000002031
     92        1          -0.000000511    0.000002032    0.000001963
     93        1           0.000000154    0.000000152   -0.000000101
     94        1          -0.000000846   -0.000000061    0.000001948
     95        1           0.000004012    0.000002778   -0.000001955
     96        1           0.000002321   -0.000001544   -0.000002175
     97        1           0.000000614   -0.000003190   -0.000002732
     98        1          -0.000002865   -0.000000522    0.000001353
     99        1          -0.000001850   -0.000001448   -0.000002976
    100        1           0.000001115    0.000001123    0.000000623
    101        1           0.000000239    0.000000228    0.000000081
    102        1           0.000002524    0.000001855   -0.000000843
    103        1          -0.000002673    0.000007986   -0.000024191
    104        1           0.000003430    0.000001399    0.000004390
    105        1          -0.000014361    0.000009577   -0.000006984
    106        1           0.000010893    0.000010861   -0.000002178
    107        1          -0.000015126    0.000011379   -0.000024848
    108        1           0.000011884   -0.000000838    0.000004269
    109        1          -0.000007441    0.000001963    0.000002797
    110        1          -0.000000300   -0.000001955    0.000000417
    111        1          -0.000002873   -0.000002311    0.000003953
    112        1          -0.000004028    0.000004081   -0.000001503
    113       17           0.000056386    0.000072167    0.000162168
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000335239 RMS     0.000042917

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000882588 RMS     0.000056354
 Search for a local minimum.
 Step number  48 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48
 DE= -3.90D-06 DEPred=-2.37D-06 R= 1.65D+00
 TightC=F SS=  1.41D+00  RLast= 2.33D-02 DXNew= 3.7986D-01 6.9977D-02
 Trust test= 1.65D+00 RLast= 2.33D-02 DXMaxT set to 2.26D-01
 ITU=  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1
 ITU=  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1  0
 ITU=  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00099   0.00348   0.00440   0.00602   0.00667
     Eigenvalues ---    0.00745   0.01332   0.01679   0.01892   0.02308
     Eigenvalues ---    0.02433   0.02485   0.02517   0.02543   0.02556
     Eigenvalues ---    0.02586   0.02602   0.02636   0.02659   0.02680
     Eigenvalues ---    0.02685   0.02699   0.02705   0.02710   0.02718
     Eigenvalues ---    0.02743   0.02747   0.02771   0.02782   0.02792
     Eigenvalues ---    0.02802   0.02804   0.02808   0.02813   0.02816
     Eigenvalues ---    0.02824   0.02839   0.02850   0.02854   0.02864
     Eigenvalues ---    0.02873   0.02875   0.02887   0.02895   0.02898
     Eigenvalues ---    0.02900   0.02906   0.02909   0.02913   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02932   0.02944   0.02945
     Eigenvalues ---    0.02950   0.02950   0.02951   0.02954   0.02955
     Eigenvalues ---    0.02962   0.02963   0.02965   0.02969   0.02975
     Eigenvalues ---    0.02989   0.02990   0.02991   0.02994   0.03001
     Eigenvalues ---    0.03010   0.03019   0.03028   0.03039   0.03053
     Eigenvalues ---    0.03058   0.03061   0.03066   0.03080   0.03083
     Eigenvalues ---    0.03093   0.03106   0.03119   0.03121   0.03136
     Eigenvalues ---    0.03155   0.03163   0.03175   0.03177   0.03197
     Eigenvalues ---    0.03222   0.03229   0.03239   0.03248   0.03285
     Eigenvalues ---    0.03366   0.03544   0.03739   0.05091   0.05126
     Eigenvalues ---    0.05436   0.05580   0.05738   0.05858   0.05905
     Eigenvalues ---    0.05965   0.06127   0.06417   0.08847   0.09922
     Eigenvalues ---    0.11811   0.12132   0.13374   0.13845   0.14147
     Eigenvalues ---    0.15146   0.15789   0.15851   0.15919   0.15957
     Eigenvalues ---    0.15985   0.15988   0.15994   0.15995   0.15996
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16003   0.16005
     Eigenvalues ---    0.16006   0.16015   0.16019   0.16024   0.16055
     Eigenvalues ---    0.16075   0.16093   0.16158   0.16198   0.18211
     Eigenvalues ---    0.19928   0.20327   0.20875   0.21806   0.21988
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22008   0.22048
     Eigenvalues ---    0.22339   0.22442   0.22481   0.22538   0.22597
     Eigenvalues ---    0.22602   0.22614   0.22647   0.22668   0.22734
     Eigenvalues ---    0.23133   0.23447   0.23475   0.23772   0.24065
     Eigenvalues ---    0.24233   0.24401   0.24475   0.24493   0.24522
     Eigenvalues ---    0.24526   0.24543   0.24711   0.24799   0.24811
     Eigenvalues ---    0.24914   0.24967   0.24976   0.24978   0.24983
     Eigenvalues ---    0.24985   0.24989   0.25003   0.25044   0.25119
     Eigenvalues ---    0.25175   0.25645   0.25860   0.26544   0.27119
     Eigenvalues ---    0.27159   0.27961   0.28628   0.28744   0.28853
     Eigenvalues ---    0.29149   0.29341   0.29448   0.29692   0.30054
     Eigenvalues ---    0.30412   0.30645   0.30708   0.30827   0.30991
     Eigenvalues ---    0.31063   0.31147   0.31259   0.31401   0.31477
     Eigenvalues ---    0.31552   0.31649   0.32134   0.32232   0.32466
     Eigenvalues ---    0.33132   0.33380   0.33530   0.33957   0.33994
     Eigenvalues ---    0.34362   0.34495   0.34668   0.34937   0.35046
     Eigenvalues ---    0.35154   0.35299   0.35443   0.35610   0.35870
     Eigenvalues ---    0.36389   0.36776   0.37159   0.37309   0.38995
     Eigenvalues ---    0.39124   0.41368   0.41573   0.42070   0.42733
     Eigenvalues ---    0.42984   0.43444   0.43718   0.45261   0.45878
     Eigenvalues ---    0.47056   0.47092   0.47113   0.47275   0.47507
     Eigenvalues ---    0.47805   0.49094   0.49668   0.49916   0.50409
     Eigenvalues ---    0.50587   0.51137   0.51271   0.51719   0.52052
     Eigenvalues ---    0.52128   0.52294   0.52645   0.53105   0.53235
     Eigenvalues ---    0.53387   0.53790   0.54291   0.54347   0.54908
     Eigenvalues ---    0.55068   0.55366   0.55612   0.55697   0.55989
     Eigenvalues ---    0.56173   0.56206   0.56464   0.56639   0.56767
     Eigenvalues ---    0.56934   0.57158   0.57515   0.57891   0.58232
     Eigenvalues ---    0.58288   0.58295   0.58342   0.58503   0.58662
     Eigenvalues ---    0.58909   0.58959   0.59426   0.59701   0.59805
     Eigenvalues ---    0.60046   0.60541   0.60881   0.61389   0.61993
     Eigenvalues ---    0.63222   0.63455   0.64218   0.64841   0.65121
     Eigenvalues ---    0.65817   0.66695   0.67778   0.68857   0.72051
     Eigenvalues ---    0.72906   0.74537   0.76679   0.80723   0.81245
     Eigenvalues ---    0.85412   1.35215   7.18349
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    48   47   46   45   44   43   42   41   40   39
 RFO step:  Lambda=-3.61347155D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.17533   -1.93025    0.51663    0.87132   -1.25194
                  RFO-DIIS coefs:    0.72818   -0.10927    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00501429 RMS(Int)=  0.00000342
 Iteration  2 RMS(Cart)=  0.00000940 RMS(Int)=  0.00000064
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000064
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63965   0.00001  -0.00003   0.00001  -0.00003   2.63962
    R2        2.65447  -0.00002  -0.00006   0.00000  -0.00006   2.65442
    R3        2.67502   0.00003   0.00011   0.00001   0.00012   2.67514
    R4        2.64594   0.00002   0.00005  -0.00001   0.00004   2.64598
    R5        2.04659   0.00000   0.00001   0.00001   0.00002   2.04661
    R6        2.66485   0.00004  -0.00001   0.00004   0.00003   2.66489
    R7        2.78798   0.00005   0.00012  -0.00006   0.00006   2.78804
    R8        2.64808   0.00000   0.00001  -0.00000   0.00001   2.64810
    R9        2.78010   0.00004   0.00007   0.00006   0.00013   2.78023
   R10        2.62087   0.00001  -0.00002   0.00003   0.00002   2.62089
   R11        2.04807   0.00000   0.00000  -0.00000  -0.00000   2.04807
   R12        2.04877   0.00001   0.00004  -0.00002   0.00002   2.04880
   R13        2.67772  -0.00001   0.00001  -0.00004  -0.00003   2.67769
   R14        2.64532   0.00002   0.00004   0.00000   0.00004   2.64536
   R15        2.83411   0.00023   0.00054   0.00009   0.00063   2.83474
   R16        2.64699  -0.00004  -0.00009  -0.00000  -0.00009   2.64690
   R17        2.84125   0.00018   0.00053   0.00022   0.00075   2.84200
   R18        2.69055   0.00032   0.00076   0.00016   0.00092   2.69148
   R19        2.43447  -0.00008  -0.00011  -0.00006  -0.00017   2.43430
   R20        2.63762   0.00000  -0.00001  -0.00000  -0.00001   2.63761
   R21        2.04595  -0.00001  -0.00001   0.00002   0.00001   2.04596
   R22        2.64451  -0.00004  -0.00008  -0.00001  -0.00009   2.64442
   R23        2.67458   0.00005   0.00010   0.00002   0.00012   2.67470
   R24        2.62352   0.00003   0.00005   0.00004   0.00009   2.62361
   R25        2.04856   0.00001   0.00002   0.00000   0.00002   2.04858
   R26        2.04120  -0.00001  -0.00002  -0.00000  -0.00002   2.04117
   R27        2.69763   0.00006   0.00015   0.00002   0.00016   2.69779
   R28        3.33346  -0.00002  -0.00029  -0.00023  -0.00052   3.33293
   R29        2.67219  -0.00001  -0.00002  -0.00005  -0.00007   2.67212
   R30        2.65354  -0.00001   0.00001  -0.00006  -0.00004   2.65350
   R31        2.61417   0.00011   0.00003   0.00014   0.00017   2.61434
   R32        2.65249  -0.00001   0.00003  -0.00006  -0.00003   2.65246
   R33        2.62537   0.00003  -0.00001   0.00007   0.00006   2.62543
   R34        2.03729   0.00002   0.00003   0.00004   0.00007   2.03735
   R35        2.65116  -0.00004  -0.00006  -0.00004  -0.00009   2.65107
   R36        2.04944  -0.00000   0.00002  -0.00001   0.00001   2.04945
   R37        2.62492   0.00002  -0.00001   0.00004   0.00003   2.62494
   R38        2.67948   0.00005   0.00011   0.00006   0.00017   2.67964
   R39        2.04788  -0.00000   0.00001  -0.00000   0.00000   2.04789
   R40        2.65171  -0.00002  -0.00008  -0.00001  -0.00009   2.65162
   R41        2.65194  -0.00002  -0.00010  -0.00001  -0.00011   2.65183
   R42        2.65037  -0.00001  -0.00001  -0.00003  -0.00004   2.65033
   R43        2.64984  -0.00002  -0.00007  -0.00002  -0.00009   2.64975
   R44        2.64760  -0.00004  -0.00009  -0.00007  -0.00016   2.64744
   R45        2.64613  -0.00002  -0.00008  -0.00002  -0.00009   2.64604
   R46        2.67824   0.00001   0.00002   0.00001   0.00003   2.67827
   R47        2.64060   0.00000   0.00000  -0.00001  -0.00001   2.64059
   R48        2.73714  -0.00001  -0.00001   0.00001  -0.00000   2.73714
   R49        2.64479   0.00000   0.00001  -0.00000   0.00001   2.64479
   R50        2.67931   0.00001   0.00002   0.00000   0.00002   2.67933
   R51        2.64456   0.00001  -0.00000   0.00002   0.00001   2.64457
   R52        2.64147   0.00001   0.00000   0.00000   0.00001   2.64147
   R53        2.67842   0.00001   0.00003  -0.00001   0.00003   2.67845
   R54        2.64102   0.00000  -0.00002   0.00000  -0.00001   2.64101
   R55        2.73664  -0.00000  -0.00001   0.00001   0.00001   2.73664
   R56        2.64452   0.00001   0.00001   0.00000   0.00001   2.64453
   R57        2.67866   0.00001   0.00001   0.00002   0.00003   2.67869
   R58        2.64455   0.00001   0.00002  -0.00001   0.00002   2.64456
   R59        2.64122   0.00000  -0.00001   0.00001  -0.00000   2.64122
   R60        2.67961   0.00001   0.00001   0.00002   0.00004   2.67964
   R61        2.64063   0.00001  -0.00001   0.00001   0.00000   2.64063
   R62        2.73660  -0.00000   0.00002  -0.00000   0.00002   2.73662
   R63        2.64504   0.00001   0.00001   0.00001   0.00002   2.64506
   R64        2.67989   0.00001   0.00001   0.00003   0.00004   2.67992
   R65        2.64483   0.00001   0.00001   0.00000   0.00002   2.64484
   R66        2.64103   0.00000  -0.00001  -0.00000  -0.00001   2.64102
   R67        2.62990   0.00000   0.00001  -0.00001   0.00000   2.62990
   R68        2.05259   0.00000   0.00001  -0.00001   0.00000   2.05259
   R69        2.65484   0.00000  -0.00000   0.00002   0.00001   2.65485
   R70        2.05137   0.00000   0.00001   0.00000   0.00001   2.05138
   R71        2.63355   0.00000  -0.00001   0.00000  -0.00001   2.63354
   R72        2.05239   0.00001   0.00003  -0.00002   0.00001   2.05240
   R73        2.04889  -0.00000   0.00001   0.00001   0.00001   2.04890
   R74        2.63283   0.00000  -0.00000   0.00000  -0.00000   2.63283
   R75        2.04895   0.00002   0.00004  -0.00000   0.00004   2.04899
   R76        2.65523   0.00000   0.00001   0.00000   0.00001   2.65524
   R77        2.05213   0.00000   0.00001  -0.00000   0.00000   2.05213
   R78        2.62963   0.00000  -0.00001   0.00001   0.00001   2.62963
   R79        2.05144   0.00000   0.00000   0.00000   0.00000   2.05144
   R80        2.05263   0.00000   0.00000  -0.00000   0.00000   2.05263
   R81        2.62976   0.00000  -0.00000   0.00001   0.00000   2.62976
   R82        2.05262   0.00001   0.00002  -0.00000   0.00002   2.05264
   R83        2.65440   0.00000   0.00002  -0.00001   0.00002   2.65442
   R84        2.05137   0.00000   0.00001  -0.00001   0.00000   2.05138
   R85        2.63277   0.00000  -0.00000  -0.00000  -0.00001   2.63276
   R86        2.05207   0.00000   0.00001  -0.00000   0.00001   2.05208
   R87        2.04827   0.00000   0.00004  -0.00002   0.00002   2.04829
   R88        2.63287   0.00000   0.00000  -0.00000  -0.00000   2.63287
   R89        2.04845   0.00001   0.00004  -0.00002   0.00002   2.04847
   R90        2.65471   0.00000   0.00000   0.00001   0.00001   2.65472
   R91        2.05212   0.00000   0.00000  -0.00000   0.00000   2.05213
   R92        2.62953   0.00001   0.00001   0.00001   0.00001   2.62955
   R93        2.05144  -0.00000   0.00000  -0.00000  -0.00000   2.05144
   R94        2.05264   0.00000   0.00000  -0.00000   0.00000   2.05264
   R95        2.62988   0.00000   0.00002  -0.00001   0.00001   2.62989
   R96        2.05271   0.00001   0.00001   0.00000   0.00001   2.05272
   R97        2.65529   0.00000   0.00000   0.00001   0.00002   2.65531
   R98        2.05145   0.00000   0.00001  -0.00000   0.00001   2.05146
   R99        2.63278   0.00000   0.00000  -0.00001  -0.00000   2.63278
   R100       2.05231   0.00000   0.00001  -0.00000   0.00001   2.05232
   R101       2.04921   0.00000   0.00002  -0.00001   0.00002   2.04922
   R102       2.63263   0.00000  -0.00001   0.00001  -0.00000   2.63263
   R103       2.04898   0.00000   0.00001   0.00001   0.00002   2.04900
   R104       2.65543   0.00001   0.00002  -0.00000   0.00002   2.65546
   R105       2.05223   0.00000   0.00001  -0.00001  -0.00000   2.05223
   R106       2.62959   0.00000   0.00000   0.00001   0.00001   2.62960
   R107       2.05146   0.00000  -0.00001   0.00001   0.00000   2.05146
   R108       2.05273   0.00000   0.00001  -0.00001   0.00000   2.05273
   R109       2.78646   0.00000  -0.00001   0.00003   0.00002   2.78649
   R110       3.02624   0.00017   0.00006   0.00014   0.00020   3.02644
   R111       3.04090  -0.00002   0.00002  -0.00000   0.00002   3.04092
   R112       2.77202   0.00012   0.00025  -0.00038  -0.00013   2.77189
   R113       2.76011  -0.00000   0.00013  -0.00009   0.00004   2.76015
   R114       2.86325  -0.00001  -0.00005   0.00014   0.00009   2.86333
   R115       2.06236  -0.00002  -0.00012   0.00020   0.00008   2.06244
   R116       2.06665   0.00000  -0.00004   0.00001  -0.00003   2.06662
   R117       2.06945  -0.00000   0.00000  -0.00000  -0.00000   2.06945
   R118       2.06653   0.00001   0.00003  -0.00001   0.00002   2.06656
   R119       2.06416   0.00003   0.00014  -0.00010   0.00004   2.06419
   R120       2.86907  -0.00001  -0.00004  -0.00002  -0.00006   2.86901
   R121       2.06464   0.00001   0.00002   0.00001   0.00003   2.06467
   R122       2.06840   0.00000   0.00001  -0.00000   0.00001   2.06841
   R123       2.06948   0.00000   0.00000   0.00000   0.00001   2.06948
   R124       2.06401   0.00000  -0.00001   0.00002   0.00001   2.06402
   R125       2.06694   0.00000   0.00002  -0.00002  -0.00000   2.06694
   R126       5.64109  -0.00007   0.00413  -0.00033   0.00380   5.64488
    A1        2.08887   0.00001   0.00009  -0.00002   0.00006   2.08894
    A2        2.09438   0.00000  -0.00000   0.00000  -0.00000   2.09438
    A3        2.09991  -0.00001  -0.00008   0.00002  -0.00006   2.09985
    A4        2.11045   0.00001  -0.00003   0.00002  -0.00001   2.11044
    A5        2.06983  -0.00001  -0.00007   0.00001  -0.00006   2.06977
    A6        2.10265  -0.00000   0.00010  -0.00004   0.00007   2.10272
    A7        2.07596  -0.00002  -0.00007   0.00001  -0.00006   2.07591
    A8        2.14182  -0.00000   0.00005  -0.00003   0.00002   2.14184
    A9        2.06168   0.00002   0.00003   0.00003   0.00005   2.06173
   A10        2.09060   0.00000   0.00006  -0.00002   0.00004   2.09064
   A11        2.09521   0.00001   0.00004  -0.00003   0.00001   2.09522
   A12        2.09699  -0.00001  -0.00009   0.00004  -0.00005   2.09694
   A13        2.10803   0.00000  -0.00002  -0.00000  -0.00002   2.10802
   A14        2.06725  -0.00000  -0.00004   0.00003  -0.00001   2.06724
   A15        2.10790  -0.00000   0.00006  -0.00003   0.00003   2.10793
   A16        2.09018   0.00000  -0.00005   0.00002  -0.00003   2.09015
   A17        2.08874  -0.00000  -0.00005   0.00001  -0.00004   2.08870
   A18        2.10427   0.00000   0.00009  -0.00003   0.00006   2.10433
   A19        2.09604   0.00002   0.00009  -0.00001   0.00008   2.09612
   A20        2.10174  -0.00002  -0.00004  -0.00002  -0.00006   2.10168
   A21        2.07938  -0.00000  -0.00003   0.00003  -0.00000   2.07938
   A22        2.07003  -0.00002  -0.00002   0.00003   0.00000   2.07003
   A23        2.06966  -0.00001   0.00004  -0.00002   0.00002   2.06968
   A24        2.13903   0.00003   0.00001  -0.00001   0.00000   2.13903
   A25        1.94236  -0.00005  -0.00022  -0.00011  -0.00032   1.94204
   A26        2.05502   0.00002  -0.00037  -0.00014  -0.00050   2.05452
   A27        2.01689  -0.00005  -0.00030  -0.00020  -0.00050   2.01639
   A28        2.02712  -0.00003  -0.00005  -0.00011  -0.00016   2.02696
   A29        2.08346   0.00002  -0.00000  -0.00003  -0.00003   2.08343
   A30        2.17016   0.00000   0.00003   0.00011   0.00014   2.17030
   A31        2.11877   0.00001   0.00000   0.00001   0.00002   2.11878
   A32        2.09597  -0.00001   0.00003  -0.00005  -0.00002   2.09595
   A33        2.06788  -0.00000  -0.00004   0.00004   0.00000   2.06789
   A34        2.08018  -0.00002   0.00002  -0.00004  -0.00002   2.08016
   A35        2.09895   0.00002  -0.00000   0.00008   0.00008   2.09902
   A36        2.10328  -0.00000  -0.00002  -0.00003  -0.00005   2.10323
   A37        2.09166   0.00001  -0.00000   0.00003   0.00003   2.09169
   A38        2.09147  -0.00000   0.00002  -0.00002  -0.00000   2.09147
   A39        2.09966  -0.00000  -0.00001  -0.00001  -0.00002   2.09964
   A40        2.12167   0.00001   0.00001  -0.00001  -0.00001   2.12166
   A41        2.09990   0.00000   0.00007   0.00007   0.00014   2.10004
   A42        2.06013  -0.00001  -0.00006  -0.00006  -0.00013   2.06000
   A43        2.08165  -0.00004   0.00001   0.00007   0.00007   2.08172
   A44        2.05677   0.00023  -0.00012   0.00012   0.00000   2.05678
   A45        2.08306  -0.00017  -0.00010  -0.00012  -0.00022   2.08285
   A46        2.07643   0.00004   0.00009   0.00006   0.00015   2.07657
   A47        2.14982  -0.00003  -0.00006  -0.00007  -0.00012   2.14970
   A48        2.05613  -0.00001  -0.00003   0.00001  -0.00001   2.05612
   A49        2.14128   0.00001   0.00001  -0.00003  -0.00002   2.14126
   A50        2.10440   0.00000   0.00001   0.00002   0.00003   2.10443
   A51        2.03730  -0.00002  -0.00003   0.00001  -0.00002   2.03728
   A52        2.07822   0.00004   0.00016  -0.00003   0.00013   2.07836
   A53        2.11208   0.00001   0.00001  -0.00000   0.00001   2.11208
   A54        2.10626  -0.00001  -0.00010   0.00001  -0.00010   2.10616
   A55        2.06483  -0.00000   0.00009  -0.00000   0.00009   2.06493
   A56        2.11426  -0.00000  -0.00000  -0.00003  -0.00003   2.11424
   A57        2.08322   0.00000   0.00004  -0.00003   0.00001   2.08324
   A58        2.08569   0.00000  -0.00004   0.00006   0.00002   2.08571
   A59        2.06734  -0.00001   0.00002   0.00001   0.00002   2.06736
   A60        2.10529  -0.00000  -0.00008   0.00003  -0.00005   2.10524
   A61        2.11056   0.00001   0.00006  -0.00003   0.00003   2.11058
   A62        2.11176   0.00001  -0.00001  -0.00001  -0.00003   2.11173
   A63        2.05162   0.00000  -0.00001   0.00009   0.00008   2.05170
   A64        2.11978  -0.00001   0.00002  -0.00008  -0.00006   2.11972
   A65        2.19606   0.00000  -0.00000  -0.00002  -0.00002   2.19604
   A66        2.19702  -0.00000  -0.00004   0.00002  -0.00002   2.19700
   A67        1.89011   0.00000   0.00004  -0.00000   0.00004   1.89014
   A68        2.19118  -0.00001   0.00002  -0.00005  -0.00004   2.19114
   A69        2.20056   0.00001  -0.00004   0.00004  -0.00000   2.20056
   A70        1.89140   0.00000   0.00001   0.00002   0.00003   1.89142
   A71        2.19615  -0.00000   0.00001  -0.00001  -0.00000   2.19615
   A72        2.19520  -0.00000  -0.00003   0.00001  -0.00002   2.19518
   A73        1.89172   0.00001   0.00004   0.00001   0.00005   1.89177
   A74        1.90049   0.00000  -0.00001  -0.00000  -0.00001   1.90048
   A75        2.25865   0.00000  -0.00001   0.00001   0.00001   2.25866
   A76        2.12342  -0.00000   0.00002  -0.00001   0.00001   2.12343
   A77        1.86634  -0.00001  -0.00001  -0.00001  -0.00001   1.86632
   A78        2.08606   0.00000  -0.00002   0.00000  -0.00002   2.08604
   A79        2.33072   0.00000   0.00003   0.00001   0.00003   2.33076
   A80        1.86649  -0.00000  -0.00001  -0.00000  -0.00002   1.86647
   A81        2.33003   0.00000   0.00004  -0.00000   0.00004   2.33007
   A82        2.08656   0.00000  -0.00003   0.00001  -0.00002   2.08654
   A83        1.90006   0.00001   0.00002  -0.00000   0.00001   1.90007
   A84        2.26164   0.00000  -0.00004   0.00002  -0.00003   2.26161
   A85        2.12068  -0.00001   0.00003  -0.00001   0.00002   2.12070
   A86        1.90068   0.00000  -0.00001   0.00002   0.00000   1.90068
   A87        2.26099  -0.00000  -0.00004  -0.00001  -0.00005   2.26095
   A88        2.12075   0.00000   0.00007  -0.00001   0.00006   2.12081
   A89        1.86677  -0.00000  -0.00001  -0.00001  -0.00002   1.86674
   A90        2.08738  -0.00000  -0.00007   0.00002  -0.00005   2.08733
   A91        2.32892   0.00001   0.00009  -0.00000   0.00008   2.32900
   A92        1.86662  -0.00001  -0.00002  -0.00000  -0.00003   1.86660
   A93        2.32898   0.00001   0.00007   0.00000   0.00007   2.32906
   A94        2.08754  -0.00000  -0.00005   0.00000  -0.00005   2.08749
   A95        1.90060   0.00001   0.00001   0.00000   0.00001   1.90061
   A96        2.26306  -0.00000  -0.00008   0.00002  -0.00006   2.26300
   A97        2.11897  -0.00000   0.00008  -0.00002   0.00005   2.11902
   A98        1.90080   0.00001  -0.00000   0.00002   0.00002   1.90082
   A99        2.25959  -0.00000  -0.00007  -0.00001  -0.00007   2.25951
   A100       2.12243  -0.00000   0.00008  -0.00002   0.00006   2.12249
   A101       1.86565  -0.00001  -0.00002  -0.00002  -0.00004   1.86561
   A102       2.08587   0.00000  -0.00007   0.00002  -0.00005   2.08582
   A103       2.33162   0.00001   0.00008   0.00001   0.00009   2.33172
   A104       1.86532  -0.00001  -0.00003   0.00000  -0.00002   1.86529
   A105       2.33204   0.00001   0.00008   0.00001   0.00009   2.33214
   A106       2.08576  -0.00000  -0.00006  -0.00001  -0.00007   2.08569
   A107       1.90129   0.00000   0.00000  -0.00001  -0.00001   1.90128
   A108       2.25944  -0.00000  -0.00007   0.00002  -0.00005   2.25939
   A109       2.12201  -0.00000   0.00008  -0.00001   0.00007   2.12208
   A110       2.08028   0.00000   0.00001  -0.00001  -0.00000   2.08028
   A111       2.09986   0.00000  -0.00000   0.00002   0.00002   2.09987
   A112       2.10303  -0.00000  -0.00000  -0.00001  -0.00001   2.10301
   A113       2.10385   0.00000   0.00001   0.00002   0.00002   2.10388
   A114       2.09185  -0.00000  -0.00000  -0.00002  -0.00002   2.09184
   A115       2.08745  -0.00000  -0.00001  -0.00000  -0.00001   2.08744
   A116       2.11931  -0.00000   0.00000  -0.00002  -0.00002   2.11929
   A117       2.08580  -0.00000  -0.00001   0.00001  -0.00000   2.08580
   A118       2.07804   0.00000   0.00001   0.00002   0.00002   2.07806
   A119       2.05537   0.00001  -0.00001   0.00002   0.00001   2.05538
   A120       2.11886  -0.00000  -0.00004   0.00001  -0.00003   2.11883
   A121       2.10886  -0.00000   0.00005  -0.00003   0.00002   2.10888
   A122       2.05287   0.00000  -0.00001   0.00002   0.00001   2.05288
   A123       2.11912  -0.00000  -0.00000  -0.00003  -0.00003   2.11909
   A124       2.11115  -0.00000   0.00001   0.00001   0.00002   2.11117
   A125       2.12027   0.00000   0.00000  -0.00001  -0.00001   2.12026
   A126       2.07760   0.00000   0.00003  -0.00003   0.00000   2.07760
   A127       2.08530  -0.00000  -0.00003   0.00004   0.00001   2.08531
   A128       2.10452  -0.00000   0.00000   0.00001   0.00001   2.10453
   A129       2.08710   0.00000   0.00001  -0.00002  -0.00001   2.08709
   A130       2.09154   0.00000  -0.00001   0.00001   0.00000   2.09154
   A131       2.07902   0.00000   0.00001  -0.00000   0.00001   2.07903
   A132       2.10058   0.00000  -0.00001   0.00002   0.00001   2.10059
   A133       2.10357  -0.00000   0.00001  -0.00002  -0.00001   2.10355
   A134       2.08025  -0.00000  -0.00001   0.00001   0.00000   2.08025
   A135       2.09961   0.00000   0.00000   0.00001   0.00002   2.09963
   A136       2.10332  -0.00000   0.00001  -0.00003  -0.00002   2.10330
   A137       2.10347  -0.00000   0.00003  -0.00001   0.00002   2.10349
   A138       2.09213  -0.00000   0.00001  -0.00002  -0.00001   2.09212
   A139       2.08758   0.00000  -0.00003   0.00003  -0.00000   2.08758
   A140       2.11899   0.00000   0.00000  -0.00000   0.00000   2.11899
   A141       2.08812  -0.00000  -0.00004  -0.00000  -0.00004   2.08808
   A142       2.07607   0.00000   0.00004   0.00000   0.00004   2.07611
   A143       2.05691  -0.00000  -0.00005   0.00002  -0.00003   2.05688
   A144       2.12038  -0.00000  -0.00005   0.00000  -0.00005   2.12033
   A145       2.10587   0.00000   0.00010  -0.00002   0.00008   2.10595
   A146       2.05467   0.00000  -0.00002   0.00000  -0.00002   2.05466
   A147       2.11957  -0.00000  -0.00006   0.00002  -0.00004   2.11954
   A148       2.10888   0.00000   0.00008  -0.00003   0.00005   2.10894
   A149       2.12013  -0.00000  -0.00002   0.00000  -0.00002   2.12012
   A150       2.07743   0.00000   0.00000   0.00004   0.00004   2.07747
   A151       2.08561  -0.00000   0.00002  -0.00004  -0.00002   2.08558
   A152       2.10371   0.00000   0.00003  -0.00001   0.00002   2.10374
   A153       2.08744  -0.00000  -0.00001   0.00001  -0.00000   2.08743
   A154       2.09201  -0.00000  -0.00002  -0.00000  -0.00002   2.09199
   A155       2.07945   0.00000   0.00001  -0.00001   0.00001   2.07946
   A156       2.10012   0.00000   0.00002  -0.00000   0.00001   2.10013
   A157       2.10360  -0.00000  -0.00003   0.00001  -0.00002   2.10358
   A158       2.08000   0.00000  -0.00000   0.00001   0.00001   2.08001
   A159       2.10019   0.00000   0.00000   0.00002   0.00002   2.10021
   A160       2.10299  -0.00000   0.00000  -0.00003  -0.00003   2.10296
   A161       2.10430   0.00000   0.00003  -0.00001   0.00003   2.10432
   A162       2.09175   0.00000  -0.00003   0.00002  -0.00001   2.09174
   A163       2.08712  -0.00000  -0.00000  -0.00002  -0.00002   2.08711
   A164       2.11953  -0.00000  -0.00002   0.00000  -0.00002   2.11952
   A165       2.08514  -0.00000  -0.00002   0.00002  -0.00000   2.08514
   A166       2.07850   0.00000   0.00003  -0.00002   0.00002   2.07852
   A167       2.05462   0.00000  -0.00003   0.00001  -0.00002   2.05460
   A168       2.11750  -0.00000  -0.00004  -0.00000  -0.00004   2.11746
   A169       2.11103   0.00000   0.00007  -0.00001   0.00007   2.11110
   A170       2.05410   0.00000  -0.00003   0.00001  -0.00002   2.05409
   A171       2.11796  -0.00000  -0.00006  -0.00001  -0.00007   2.11789
   A172       2.11112   0.00000   0.00009  -0.00001   0.00008   2.11120
   A173       2.11990  -0.00000  -0.00001  -0.00002  -0.00003   2.11988
   A174       2.07807   0.00000   0.00002   0.00002   0.00004   2.07810
   A175       2.08522  -0.00000  -0.00001  -0.00000  -0.00001   2.08520
   A176       2.10431   0.00000   0.00002   0.00002   0.00005   2.10435
   A177       2.08708  -0.00000  -0.00001  -0.00001  -0.00002   2.08706
   A178       2.09179  -0.00000  -0.00001  -0.00001  -0.00002   2.09177
   A179       2.07965  -0.00000   0.00001  -0.00002  -0.00001   2.07964
   A180       2.10032   0.00000  -0.00001   0.00004   0.00003   2.10034
   A181       2.10321  -0.00000  -0.00001  -0.00001  -0.00002   2.10319
   A182       2.01367   0.00005   0.00016  -0.00009   0.00007   2.01374
   A183       1.84521   0.00019  -0.00051   0.00002  -0.00049   1.84473
   A184       1.71742  -0.00011   0.00020   0.00026   0.00047   1.71789
   A185       2.02525   0.00002   0.00005   0.00006   0.00010   2.02536
   A186       2.04084  -0.00001  -0.00022  -0.00018  -0.00040   2.04044
   A187       1.78104  -0.00017   0.00032  -0.00003   0.00029   1.78134
   A188       2.12718   0.00088  -0.00051  -0.00002  -0.00053   2.12664
   A189       2.08032  -0.00001  -0.00045   0.00010  -0.00035   2.07997
   A190       1.90986  -0.00001  -0.00052   0.00046  -0.00006   1.90980
   A191       1.90308   0.00033   0.00045  -0.00049  -0.00003   1.90305
   A192       1.83730  -0.00016   0.00022  -0.00014   0.00007   1.83738
   A193       1.95685  -0.00025  -0.00083   0.00042  -0.00041   1.95644
   A194       1.95059   0.00010   0.00036  -0.00010   0.00026   1.95084
   A195       1.90190   0.00001   0.00040  -0.00020   0.00020   1.90210
   A196       1.90686   0.00001   0.00013   0.00007   0.00020   1.90706
   A197       1.93794   0.00002   0.00027   0.00003   0.00030   1.93823
   A198       1.93213  -0.00002  -0.00040  -0.00003  -0.00044   1.93169
   A199       1.89134  -0.00000   0.00007   0.00002   0.00009   1.89143
   A200       1.88924   0.00000  -0.00010  -0.00003  -0.00013   1.88911
   A201       1.90524  -0.00000   0.00003  -0.00006  -0.00003   1.90521
   A202       1.94403  -0.00002  -0.00004  -0.00016  -0.00019   1.94384
   A203       1.82315   0.00001  -0.00003   0.00021   0.00018   1.82333
   A204       1.90509   0.00001  -0.00007  -0.00000  -0.00007   1.90501
   A205       1.94875   0.00001   0.00005   0.00004   0.00009   1.94885
   A206       1.95141   0.00000   0.00023  -0.00017   0.00006   1.95147
   A207       1.88612  -0.00000  -0.00018   0.00011  -0.00006   1.88606
   A208       1.91175   0.00000  -0.00001   0.00005   0.00004   1.91179
   A209       1.93221   0.00000   0.00007  -0.00002   0.00005   1.93226
   A210       1.93103  -0.00000  -0.00009   0.00003  -0.00006   1.93098
   A211       1.89880  -0.00000   0.00010  -0.00008   0.00002   1.89882
   A212       1.88796   0.00000  -0.00002   0.00005   0.00003   1.88799
   A213       1.90124  -0.00000  -0.00005  -0.00004  -0.00009   1.90115
   A214       2.07143   0.00011  -0.00316   0.00052  -0.00265   2.06878
    D1       -0.00159   0.00000   0.00007  -0.00011  -0.00004  -0.00164
    D2        3.11584   0.00001   0.00042  -0.00014   0.00028   3.11612
    D3        3.13262  -0.00000   0.00010  -0.00010  -0.00000   3.13262
    D4       -0.03313   0.00000   0.00045  -0.00013   0.00032  -0.03281
    D5       -0.03738   0.00000  -0.00007   0.00014   0.00007  -0.03731
    D6        3.10775   0.00000   0.00010   0.00009   0.00019   3.10794
    D7        3.11161   0.00000  -0.00011   0.00013   0.00002   3.11164
    D8       -0.02644   0.00000   0.00006   0.00008   0.00014  -0.02630
    D9        2.26434  -0.00002  -0.00176  -0.00002  -0.00178   2.26255
   D10       -0.87558  -0.00001  -0.00135   0.00008  -0.00127  -0.87685
   D11       -0.88468  -0.00002  -0.00173  -0.00001  -0.00174  -0.88642
   D12        2.25859  -0.00001  -0.00132   0.00009  -0.00123   2.25737
   D13        0.05536  -0.00000   0.00002  -0.00006  -0.00004   0.05533
   D14       -2.99177   0.00001  -0.00010  -0.00013  -0.00023  -2.99200
   D15       -3.06162  -0.00001  -0.00033  -0.00003  -0.00036  -3.06198
   D16        0.17443   0.00000  -0.00046  -0.00010  -0.00056   0.17388
   D17       -0.07058  -0.00000  -0.00011   0.00020   0.00009  -0.07049
   D18        3.04113   0.00001   0.00017   0.00005   0.00022   3.04136
   D19        2.98091  -0.00001   0.00001   0.00026   0.00028   2.98119
   D20       -0.19056  -0.00001   0.00029   0.00011   0.00041  -0.19015
   D21       -2.91743   0.00001   0.00018   0.00025   0.00042  -2.91700
   D22        0.34288   0.00001   0.00006   0.00015   0.00021   0.34310
   D23        0.31789   0.00002   0.00006   0.00018   0.00024   0.31813
   D24       -2.70498   0.00002  -0.00006   0.00009   0.00002  -2.70496
   D25        0.03268   0.00000   0.00011  -0.00018  -0.00007   0.03261
   D26       -3.11192   0.00000   0.00006  -0.00006  -0.00000  -3.11192
   D27       -3.07900  -0.00000  -0.00018  -0.00003  -0.00020  -3.07920
   D28        0.05959  -0.00000  -0.00022   0.00009  -0.00013   0.05946
   D29       -0.35912  -0.00003  -0.00049  -0.00037  -0.00086  -0.35998
   D30        2.85426  -0.00003  -0.00002  -0.00004  -0.00006   2.85420
   D31        2.75248  -0.00003  -0.00021  -0.00052  -0.00073   2.75176
   D32       -0.31733  -0.00002   0.00026  -0.00019   0.00007  -0.31725
   D33        0.02174  -0.00000  -0.00001   0.00000  -0.00001   0.02174
   D34       -3.12342  -0.00000  -0.00018   0.00005  -0.00013  -3.12355
   D35       -3.11677  -0.00000   0.00003  -0.00011  -0.00008  -3.11685
   D36        0.02125  -0.00000  -0.00014  -0.00006  -0.00020   0.02105
   D37        0.12284   0.00002  -0.00016  -0.00016  -0.00032   0.12251
   D38       -2.91996   0.00002  -0.00051  -0.00015  -0.00065  -2.92061
   D39       -3.13596   0.00001  -0.00005  -0.00007  -0.00012  -3.13608
   D40        0.10444   0.00001  -0.00039  -0.00006  -0.00045   0.10399
   D41        2.97577  -0.00001   0.00030   0.00019   0.00050   2.97627
   D42       -0.12908  -0.00000   0.00034   0.00020   0.00054  -0.12855
   D43       -0.04823  -0.00000   0.00018   0.00010   0.00028  -0.04794
   D44        3.13010   0.00000   0.00022   0.00011   0.00032   3.13042
   D45       -0.64219  -0.00003   0.00006  -0.00007  -0.00001  -0.64220
   D46       -3.02860   0.00008   0.00119   0.00053   0.00172  -3.02688
   D47        2.39645  -0.00004   0.00043  -0.00009   0.00033   2.39679
   D48        0.01004   0.00008   0.00155   0.00051   0.00207   0.01211
   D49       -0.08351  -0.00001   0.00028   0.00000   0.00029  -0.08322
   D50        2.99836  -0.00000   0.00048  -0.00005   0.00043   2.99879
   D51       -3.12218  -0.00001  -0.00007   0.00002  -0.00006  -3.12223
   D52       -0.04030  -0.00000   0.00012  -0.00003   0.00008  -0.04022
   D53        0.75505   0.00004   0.00026   0.00031   0.00057   0.75562
   D54       -2.46231   0.00003  -0.00024  -0.00004  -0.00028  -2.46259
   D55       -3.12402  -0.00004  -0.00088  -0.00025  -0.00112  -3.12515
   D56       -0.05820  -0.00005  -0.00138  -0.00060  -0.00198  -0.06018
   D57        2.41656  -0.00013  -0.00124  -0.00030  -0.00155   2.41501
   D58       -1.09722  -0.00011  -0.00188  -0.00013  -0.00202  -1.09924
   D59        0.06152  -0.00001  -0.00010   0.00029   0.00019   0.06171
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   D278       0.00613  -0.00000  -0.00013   0.00006  -0.00008   0.00605
   D279      -0.00718   0.00000   0.00007  -0.00002   0.00006  -0.00712
   D280       3.12998   0.00000   0.00014  -0.00004   0.00010   3.13008
   D281       3.14033  -0.00000  -0.00003  -0.00000  -0.00003   3.14030
   D282      -0.00569  -0.00000   0.00003  -0.00002   0.00001  -0.00568
   D283      -0.00494   0.00000   0.00011   0.00001   0.00012  -0.00482
   D284       3.12813   0.00000   0.00016  -0.00001   0.00015   3.12829
   D285       3.14106   0.00000   0.00004   0.00004   0.00008   3.14114
   D286      -0.00905   0.00000   0.00010   0.00001   0.00011  -0.00894
   D287      -0.00357  -0.00000   0.00001   0.00002   0.00003  -0.00355
   D288       3.13951  -0.00000   0.00003  -0.00002   0.00002   3.13953
   D289       3.13412   0.00000   0.00013   0.00001   0.00014   3.13427
   D290      -0.00598   0.00000   0.00016  -0.00002   0.00014  -0.00584
   D291      -0.00632   0.00000   0.00007   0.00003   0.00010  -0.00622
   D292       3.13865   0.00000   0.00001  -0.00000   0.00001   3.13866
   D293       3.13378   0.00000   0.00005   0.00006   0.00011   3.13389
   D294      -0.00444  -0.00000  -0.00001   0.00003   0.00002  -0.00442
   D295       0.00532   0.00000   0.00000  -0.00008  -0.00008   0.00524
   D296      -3.13207  -0.00000  -0.00011  -0.00002  -0.00013  -3.13220
   D297      -3.13966   0.00000   0.00007  -0.00005   0.00001  -3.13965
   D298       0.00614  -0.00000  -0.00005   0.00001  -0.00004   0.00610
   D299       1.78500   0.00025   0.00215  -0.00024   0.00191   1.78690
   D300      -0.47126  -0.00000   0.00234  -0.00018   0.00216  -0.46911
   D301      -2.71042   0.00013   0.00233   0.00004   0.00237  -2.70805
   D302       3.10508   0.00003  -0.00201   0.00020  -0.00181   3.10326
   D303      -1.01183   0.00001  -0.00178   0.00018  -0.00161  -1.01343
   D304       1.21739  -0.00010  -0.00160   0.00011  -0.00150   1.21589
   D305      -2.14441  -0.00007   0.00140  -0.00034   0.00106  -2.14335
   D306       0.00168  -0.00017   0.00032   0.00016   0.00049   0.00217
   D307       2.04001  -0.00009   0.00113  -0.00038   0.00074   2.04076
   D308       1.53602   0.00001   0.00142  -0.00019   0.00123   1.53726
   D309      -2.64090   0.00001   0.00145  -0.00010   0.00135  -2.63955
   D310      -0.62716   0.00001   0.00120   0.00013   0.00134  -0.62583
   D311      -3.05629   0.00012  -0.00214  -0.00005  -0.00219  -3.05849
   D312      -0.97121   0.00013  -0.00181   0.00005  -0.00176  -0.97297
   D313       1.14796   0.00013  -0.00186  -0.00004  -0.00190   1.14606
   D314       1.11307  -0.00013  -0.00182  -0.00002  -0.00184   1.11122
   D315      -3.08503  -0.00011  -0.00149   0.00007  -0.00141  -3.08644
   D316      -0.96586  -0.00012  -0.00154  -0.00001  -0.00155  -0.96741
   D317      -1.02826  -0.00003  -0.00199   0.00001  -0.00199  -1.03025
   D318       1.05683  -0.00001  -0.00166   0.00010  -0.00156   1.05527
   D319      -3.10719  -0.00002  -0.00171   0.00002  -0.00169  -3.10889
   D320      -1.06601  -0.00030   0.00026  -0.00105  -0.00079  -1.06680
   D321       1.05171  -0.00025  -0.00063  -0.00053  -0.00115   1.05056
   D322      -3.06280  -0.00029  -0.00046  -0.00051  -0.00097  -3.06377
   D323       3.09521   0.00000  -0.00091   0.00046  -0.00046   3.09475
   D324      -1.09409   0.00000  -0.00075   0.00038  -0.00036  -1.09445
   D325       1.01545  -0.00000  -0.00083   0.00034  -0.00048   1.01497
   D326       1.06436  -0.00000  -0.00089   0.00027  -0.00061   1.06375
   D327      -3.12493  -0.00000  -0.00072   0.00020  -0.00052  -3.12545
   D328      -1.01539  -0.00000  -0.00080   0.00016  -0.00064  -1.01603
   D329      -1.05125  -0.00000  -0.00086   0.00022  -0.00065  -1.05189
   D330       1.04264  -0.00000  -0.00070   0.00014  -0.00055   1.04209
   D331      -3.13100  -0.00001  -0.00078   0.00010  -0.00067  -3.13168
         Item               Value     Threshold  Converged?
 Maximum Force            0.000883     0.000450     NO 
 RMS     Force            0.000056     0.000300     YES
 Maximum Displacement     0.025328     0.001800     NO 
 RMS     Displacement     0.005014     0.001200     NO 
 Predicted change in Energy=-1.070077D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.594954    3.246166    0.119753
      2          6           0       -2.753927    1.865694    0.261706
      3          6           0       -1.650056    1.005640    0.213586
      4          6           0       -0.359100    1.558718    0.086342
      5          6           0       -0.207409    2.942462   -0.074654
      6          6           0       -1.310980    3.782497   -0.072130
      7          6           0       -1.784568   -0.463045    0.173762
      8          6           0       -0.653753   -1.286565    0.399331
      9          6           0        0.629398   -0.641618    0.832699
     10          6           0        0.825408    0.689232    0.160244
     11          6           0       -2.989536   -1.053859   -0.224487
     12          6           0       -3.084012   -2.426713   -0.457930
     13          6           0       -1.939639   -3.221428   -0.327281
     14          6           0       -0.746266   -2.650372    0.093770
     15          7           0        1.789168   -1.464160    0.915728
     16          6           0        3.038133   -0.959623    0.442867
     17          6           0        3.079421    0.325822   -0.144836
     18          7           0        1.958883    1.128024   -0.266473
     19          6           0        4.230942   -1.699313    0.484812
     20          6           0        5.417871   -1.172162   -0.008666
     21          6           0        5.458148    0.103193   -0.591704
     22          6           0        4.280162    0.835849   -0.662759
     23          7           0       -3.725787    4.096773    0.160669
     24          7           0       -4.311532   -2.997160   -0.871584
     25          7           0        6.674881    0.628894   -1.095626
     26          6           0       -4.945216   -4.093559   -0.268809
     27          6           0       -6.157726   -4.356383   -0.953958
     28          6           0       -6.260697   -3.380019   -2.018885
     29          6           0       -5.107827   -2.558553   -1.939135
     30          6           0       -3.861089    5.245495    0.955046
     31          6           0       -5.133055    5.822776    0.714627
     32          6           0       -5.796651    4.989148   -0.266136
     33          6           0       -4.904169    3.934722   -0.583897
     34          6           0        7.256219    1.849029   -0.726816
     35          6           0        8.474929    2.009674   -1.433696
     36          6           0        8.635368    0.836730   -2.267732
     37          6           0        7.508793    0.007819   -2.033435
     38          6           0       -7.206125   -3.146846   -3.023995
     39          6           0       -6.989670   -2.115962   -3.933505
     40          6           0       -5.831478   -1.324819   -3.853587
     41          6           0       -4.874979   -1.534911   -2.862064
     42          6           0       -4.557197   -4.838817    0.847701
     43          6           0       -5.395052   -5.874348    1.256084
     44          6           0       -6.592351   -6.160078    0.578502
     45          6           0       -6.980797   -5.402880   -0.522474
     46          6           0       -7.044199    5.052717   -0.897026
     47          6           0       -7.382671    4.078523   -1.831351
     48          6           0       -6.480439    3.049472   -2.147731
     49          6           0       -5.231593    2.965239   -1.535941
     50          6           0       -2.978623    5.787219    1.893646
     51          6           0       -3.378660    6.937017    2.571215
     52          6           0       -4.627836    7.532981    2.330579
     53          6           0       -5.510111    6.977953    1.408736
     54          6           0        9.611219    0.430338   -3.185018
     55          6           0        9.451334   -0.779293   -3.854338
     56          6           0        8.321517   -1.581370   -3.620741
     57          6           0        7.335404   -1.201012   -2.713036
     58          6           0        6.813621    2.800792    0.195610
     59          6           0        7.604316    3.931332    0.389203
     60          6           0        8.808467    4.112942   -0.311971
     61          6           0        9.249599    3.155826   -1.220634
     62          8           0        0.477691   -3.053234    2.723801
     63         15           0        1.777338   -2.789846    2.078954
     64          8           0        3.008150   -2.511831    3.065205
     65          8           0        2.364753   -3.945447    1.125532
     66          6           0        2.813541   -1.953126    4.407419
     67          6           0        3.617990   -0.676300    4.543226
     68          6           0        2.592492   -5.277797    1.679031
     69          6           0        1.348061   -6.141033    1.573246
     70          1           0       -3.748827    1.473459    0.432760
     71          1           0        0.792747    3.341184   -0.198423
     72          1           0       -1.191148    4.850698   -0.213639
     73          1           0       -3.865902   -0.440319   -0.391035
     74          1           0       -1.982213   -4.274228   -0.582204
     75          1           0        0.132234   -3.277853    0.128581
     76          1           0        4.248407   -2.691325    0.906656
     77          1           0        6.328829   -1.756525    0.061099
     78          1           0        4.250613    1.815537   -1.125071
     79          1           0       -8.094596   -3.767560   -3.095605
     80          1           0       -7.716467   -1.925033   -4.716905
     81          1           0       -5.670653   -0.536620   -4.583286
     82          1           0       -3.975581   -0.930817   -2.820697
     83          1           0       -3.642654   -4.616040    1.385887
     84          1           0       -5.115546   -6.468592    2.120967
     85          1           0       -7.221598   -6.974966    0.922717
     86          1           0       -7.912919   -5.616304   -1.037683
     87          1           0       -7.737337    5.855078   -0.661164
     88          1           0       -8.349598    4.114176   -2.323470
     89          1           0       -6.757680    2.299186   -2.882181
     90          1           0       -4.539051    2.174256   -1.799746
     91          1           0       -2.019015    5.326776    2.099096
     92          1           0       -2.708852    7.376641    3.304257
     93          1           0       -4.907890    8.429662    2.874638
     94          1           0       -6.481820    7.430600    1.233398
     95          1           0       10.479672    1.054631   -3.374733
     96          1           0       10.201979   -1.105501   -4.567513
     97          1           0        8.209492   -2.516885   -4.160874
     98          1           0        6.460577   -1.820136   -2.547834
     99          1           0        5.889230    2.665648    0.745983
    100          1           0        7.280519    4.686310    1.099518
    101          1           0        9.399496    5.007026   -0.139350
    102          1           0       10.184943    3.293194   -1.755628
    103          1           0        1.747669   -1.786332    4.572487
    104          1           0        3.163084   -2.727965    5.095473
    105          1           0        3.539100   -0.307123    5.571202
    106          1           0        4.674088   -0.851768    4.320123
    107          1           0        3.233229    0.095184    3.872448
    108          1           0        3.415831   -5.682755    1.085863
    109          1           0        2.934740   -5.182803    2.714354
    110          1           0        1.565679   -7.145277    1.951968
    111          1           0        0.530693   -5.713769    2.158336
    112          1           0        1.028928   -6.231233    0.530955
    113         17           0        0.304930    0.111554    2.772609
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351407           0.0181713           0.0142823
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9692873727 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000095   -0.000029    0.000018 Ang=  -0.01 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -3613.48657538     A.U. after   10 cycles
            NFock= 10  Conv=0.31D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011544   -0.000002051    0.000002907
      2        6          -0.000000728   -0.000000592    0.000007052
      3        6          -0.000001450    0.000008108   -0.000011283
      4        6          -0.000020392    0.000004098   -0.000003065
      5        6           0.000002807   -0.000003082    0.000007657
      6        6          -0.000009442   -0.000001240   -0.000003252
      7        6           0.000024947   -0.000017823   -0.000003383
      8        6          -0.000101534   -0.000095300   -0.000145985
      9        6          -0.000085302    0.000050338    0.000228858
     10        6           0.000086201    0.000124482   -0.000153164
     11        6          -0.000009502   -0.000007064    0.000009609
     12        6           0.000021470    0.000008858    0.000016484
     13        6          -0.000024874    0.000007729   -0.000010572
     14        6           0.000012229    0.000036004    0.000003607
     15        7           0.000153255   -0.000165810   -0.000026740
     16        6           0.000010115    0.000035289   -0.000022812
     17        6           0.000090290   -0.000043220   -0.000008710
     18        7          -0.000118145   -0.000003160    0.000021368
     19        6          -0.000030827   -0.000006305    0.000002227
     20        6           0.000020749    0.000037169   -0.000007281
     21        6          -0.000021569   -0.000037069    0.000002144
     22        6          -0.000037353   -0.000008126    0.000003235
     23        7          -0.000007210    0.000015129   -0.000011832
     24        7          -0.000009751   -0.000026629   -0.000038091
     25        7           0.000072440    0.000008371    0.000034068
     26        6          -0.000006743    0.000016914    0.000012974
     27        6          -0.000006367    0.000001708   -0.000001668
     28        6          -0.000003590   -0.000002790    0.000002848
     29        6           0.000010247   -0.000005051    0.000014699
     30        6          -0.000001184   -0.000009011    0.000003599
     31        6          -0.000002873   -0.000005106    0.000003528
     32        6          -0.000001018    0.000000290    0.000001260
     33        6           0.000004027    0.000000512    0.000002534
     34        6          -0.000014942   -0.000027509   -0.000012652
     35        6           0.000008474   -0.000000330   -0.000006652
     36        6          -0.000007360    0.000011979   -0.000005449
     37        6          -0.000030667    0.000017042   -0.000015691
     38        6           0.000000554    0.000001391   -0.000001773
     39        6          -0.000001035   -0.000000392    0.000000168
     40        6           0.000000797   -0.000003475    0.000003677
     41        6           0.000002786    0.000000306   -0.000006835
     42        6          -0.000000892   -0.000002882   -0.000005620
     43        6          -0.000001404    0.000000812    0.000000644
     44        6           0.000001810   -0.000003183   -0.000001010
     45        6           0.000000480    0.000000085    0.000000922
     46        6           0.000001863    0.000000014   -0.000002698
     47        6           0.000000087   -0.000000761    0.000001850
     48        6          -0.000001805    0.000001082    0.000000444
     49        6           0.000002569    0.000001954    0.000000644
     50        6          -0.000001064    0.000005120   -0.000001262
     51        6          -0.000000648    0.000001321    0.000000914
     52        6          -0.000001572   -0.000000906    0.000001343
     53        6           0.000001763    0.000003539   -0.000002892
     54        6           0.000004674   -0.000004821    0.000002185
     55        6          -0.000000502    0.000000606   -0.000000841
     56        6          -0.000001691    0.000000752    0.000001055
     57        6           0.000005774   -0.000004689    0.000005239
     58        6           0.000004403   -0.000000367    0.000008930
     59        6          -0.000002144   -0.000002088    0.000000002
     60        6           0.000000281    0.000003556   -0.000002092
     61        6          -0.000002000   -0.000001016    0.000002665
     62        8          -0.000009092   -0.000011570    0.000020814
     63       15           0.000019232    0.000086838   -0.000100350
     64        8          -0.000001539   -0.000019142    0.000032902
     65        8          -0.000022808   -0.000021420    0.000025338
     66        6           0.000008842    0.000023851    0.000003397
     67        6          -0.000014411   -0.000011368   -0.000007497
     68        6           0.000025359    0.000006749    0.000009967
     69        6          -0.000002947   -0.000006440   -0.000011134
     70        1           0.000001944    0.000002015   -0.000000676
     71        1           0.000001785    0.000000444   -0.000000042
     72        1          -0.000000558    0.000003998    0.000001145
     73        1           0.000003230   -0.000001417   -0.000005671
     74        1          -0.000000476   -0.000003186    0.000001110
     75        1          -0.000005162    0.000003163   -0.000002006
     76        1           0.000003312    0.000006705   -0.000006255
     77        1           0.000002621    0.000003618   -0.000000206
     78        1           0.000004399    0.000001557   -0.000000467
     79        1          -0.000000864   -0.000000322    0.000000755
     80        1          -0.000000409    0.000000706   -0.000001240
     81        1           0.000000116    0.000003118   -0.000003398
     82        1          -0.000002249    0.000000807    0.000002873
     83        1           0.000004733    0.000001388    0.000002912
     84        1          -0.000000472   -0.000001291    0.000000441
     85        1          -0.000001139   -0.000000003    0.000000332
     86        1          -0.000000519   -0.000000395   -0.000000643
     87        1          -0.000002862    0.000002104    0.000001597
     88        1          -0.000000791    0.000000156   -0.000001269
     89        1          -0.000000764   -0.000000742   -0.000000653
     90        1           0.000002555   -0.000001478   -0.000000042
     91        1           0.000002461   -0.000002469    0.000000918
     92        1           0.000000986   -0.000000129    0.000000703
     93        1           0.000000956    0.000000899   -0.000000260
     94        1          -0.000000669   -0.000000883    0.000001088
     95        1           0.000000217    0.000001939   -0.000000470
     96        1           0.000001457   -0.000000439   -0.000000644
     97        1           0.000000865   -0.000001480   -0.000000845
     98        1          -0.000001844   -0.000000498    0.000001019
     99        1          -0.000001232   -0.000001204   -0.000002116
    100        1          -0.000000300    0.000000879    0.000000853
    101        1           0.000000534   -0.000000597    0.000000578
    102        1           0.000001225    0.000000347   -0.000001138
    103        1           0.000023360   -0.000027333   -0.000019458
    104        1           0.000000115    0.000003042    0.000022923
    105        1          -0.000004737   -0.000009045   -0.000001485
    106        1          -0.000000898   -0.000003548   -0.000002383
    107        1           0.000003835    0.000014939   -0.000009227
    108        1          -0.000003176    0.000006134   -0.000001201
    109        1          -0.000007181   -0.000009358   -0.000002721
    110        1          -0.000003160   -0.000000951    0.000000962
    111        1           0.000004850    0.000000846    0.000004827
    112        1          -0.000000413   -0.000001275   -0.000002559
    113       17          -0.000017372    0.000049028    0.000150566
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000228858 RMS     0.000029992

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000821716 RMS     0.000051311
 Search for a local minimum.
 Step number  49 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49
 DE= -1.88D-06 DEPred=-1.07D-06 R= 1.76D+00
 TightC=F SS=  1.41D+00  RLast= 1.46D-02 DXNew= 3.7986D-01 4.3895D-02
 Trust test= 1.76D+00 RLast= 1.46D-02 DXMaxT set to 2.26D-01
 ITU=  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1
 ITU=  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1 -1
 ITU=  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00083   0.00351   0.00431   0.00547   0.00636
     Eigenvalues ---    0.00719   0.01254   0.01728   0.01923   0.01980
     Eigenvalues ---    0.02383   0.02485   0.02496   0.02542   0.02556
     Eigenvalues ---    0.02585   0.02601   0.02624   0.02636   0.02680
     Eigenvalues ---    0.02680   0.02698   0.02703   0.02710   0.02715
     Eigenvalues ---    0.02742   0.02749   0.02770   0.02782   0.02792
     Eigenvalues ---    0.02802   0.02803   0.02806   0.02813   0.02815
     Eigenvalues ---    0.02824   0.02838   0.02850   0.02853   0.02864
     Eigenvalues ---    0.02873   0.02875   0.02887   0.02895   0.02898
     Eigenvalues ---    0.02901   0.02906   0.02909   0.02913   0.02917
     Eigenvalues ---    0.02920   0.02928   0.02931   0.02943   0.02945
     Eigenvalues ---    0.02948   0.02951   0.02951   0.02955   0.02955
     Eigenvalues ---    0.02961   0.02962   0.02965   0.02969   0.02976
     Eigenvalues ---    0.02986   0.02990   0.02991   0.02994   0.03001
     Eigenvalues ---    0.03004   0.03019   0.03025   0.03036   0.03052
     Eigenvalues ---    0.03057   0.03060   0.03065   0.03078   0.03083
     Eigenvalues ---    0.03092   0.03106   0.03119   0.03122   0.03137
     Eigenvalues ---    0.03156   0.03163   0.03175   0.03177   0.03198
     Eigenvalues ---    0.03220   0.03226   0.03240   0.03246   0.03285
     Eigenvalues ---    0.03365   0.03542   0.03737   0.04936   0.05126
     Eigenvalues ---    0.05419   0.05572   0.05738   0.05869   0.05908
     Eigenvalues ---    0.05976   0.06150   0.06439   0.08903   0.10031
     Eigenvalues ---    0.11806   0.12174   0.13449   0.13877   0.14144
     Eigenvalues ---    0.15154   0.15720   0.15896   0.15922   0.15961
     Eigenvalues ---    0.15984   0.15988   0.15995   0.15995   0.15996
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16018   0.16020   0.16028   0.16055
     Eigenvalues ---    0.16076   0.16103   0.16167   0.16196   0.18128
     Eigenvalues ---    0.19921   0.20332   0.20650   0.21774   0.21990
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22007   0.22057
     Eigenvalues ---    0.22336   0.22442   0.22461   0.22534   0.22595
     Eigenvalues ---    0.22600   0.22614   0.22640   0.22666   0.22741
     Eigenvalues ---    0.23118   0.23449   0.23475   0.23781   0.24045
     Eigenvalues ---    0.24212   0.24407   0.24475   0.24493   0.24516
     Eigenvalues ---    0.24524   0.24541   0.24688   0.24765   0.24810
     Eigenvalues ---    0.24913   0.24970   0.24976   0.24979   0.24983
     Eigenvalues ---    0.24985   0.24988   0.25001   0.25045   0.25120
     Eigenvalues ---    0.25183   0.25577   0.25862   0.26540   0.27052
     Eigenvalues ---    0.27155   0.27961   0.28582   0.28744   0.28853
     Eigenvalues ---    0.28950   0.29306   0.29354   0.29660   0.30056
     Eigenvalues ---    0.30412   0.30645   0.30707   0.30822   0.30980
     Eigenvalues ---    0.31072   0.31141   0.31260   0.31392   0.31471
     Eigenvalues ---    0.31556   0.31669   0.32134   0.32231   0.32473
     Eigenvalues ---    0.33133   0.33394   0.33533   0.33946   0.33987
     Eigenvalues ---    0.34353   0.34495   0.34668   0.34911   0.34938
     Eigenvalues ---    0.35151   0.35284   0.35391   0.35588   0.35756
     Eigenvalues ---    0.36389   0.36776   0.37160   0.37309   0.38586
     Eigenvalues ---    0.39006   0.41189   0.41545   0.42051   0.42734
     Eigenvalues ---    0.42974   0.43440   0.43723   0.45159   0.45630
     Eigenvalues ---    0.46696   0.47092   0.47115   0.47229   0.47333
     Eigenvalues ---    0.47774   0.48482   0.49631   0.49910   0.50399
     Eigenvalues ---    0.50588   0.50908   0.51285   0.51719   0.52060
     Eigenvalues ---    0.52124   0.52296   0.52645   0.53103   0.53237
     Eigenvalues ---    0.53377   0.53790   0.54288   0.54347   0.54659
     Eigenvalues ---    0.55060   0.55354   0.55613   0.55698   0.55982
     Eigenvalues ---    0.56148   0.56187   0.56462   0.56621   0.56740
     Eigenvalues ---    0.56933   0.57155   0.57469   0.57887   0.58232
     Eigenvalues ---    0.58288   0.58298   0.58346   0.58505   0.58666
     Eigenvalues ---    0.58909   0.58958   0.59425   0.59697   0.59804
     Eigenvalues ---    0.60044   0.60545   0.60881   0.61395   0.62004
     Eigenvalues ---    0.63217   0.63439   0.64185   0.64858   0.65123
     Eigenvalues ---    0.65790   0.66679   0.67770   0.68858   0.72039
     Eigenvalues ---    0.72770   0.74528   0.76799   0.80855   0.81274
     Eigenvalues ---    0.85410   1.32646   6.44345
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    49   48   47   46   45   44   43   42   41   40
 RFO step:  Lambda=-1.76240006D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.85809   -1.26160    0.07680    0.19852    0.20385
                  RFO-DIIS coefs:   -0.19764    0.12198    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00303129 RMS(Int)=  0.00000103
 Iteration  2 RMS(Cart)=  0.00000308 RMS(Int)=  0.00000018
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000018
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63962   0.00001  -0.00000   0.00002   0.00001   2.63963
    R2        2.65442  -0.00001  -0.00002  -0.00001  -0.00003   2.65439
    R3        2.67514   0.00001   0.00005  -0.00000   0.00005   2.67519
    R4        2.64598   0.00001   0.00001  -0.00002  -0.00000   2.64598
    R5        2.04661  -0.00000  -0.00000   0.00001   0.00000   2.04661
    R6        2.66489   0.00001  -0.00000  -0.00001  -0.00001   2.66487
    R7        2.78804   0.00003   0.00005   0.00001   0.00006   2.78810
    R8        2.64810   0.00000   0.00002  -0.00002  -0.00000   2.64810
    R9        2.78023   0.00002   0.00003   0.00004   0.00006   2.78029
   R10        2.62089   0.00000   0.00002   0.00001   0.00003   2.62092
   R11        2.04807   0.00000   0.00001  -0.00000   0.00001   2.04808
   R12        2.04880   0.00000   0.00001   0.00000   0.00001   2.04881
   R13        2.67769  -0.00001  -0.00005  -0.00001  -0.00006   2.67763
   R14        2.64536   0.00001   0.00002   0.00000   0.00002   2.64538
   R15        2.83474   0.00014   0.00075   0.00010   0.00084   2.83559
   R16        2.64690  -0.00003  -0.00011  -0.00002  -0.00013   2.64676
   R17        2.84200   0.00012   0.00062   0.00011   0.00073   2.84273
   R18        2.69148   0.00018   0.00098   0.00008   0.00106   2.69253
   R19        2.43430  -0.00008  -0.00015  -0.00006  -0.00021   2.43408
   R20        2.63761  -0.00000  -0.00001  -0.00000  -0.00001   2.63760
   R21        2.04596  -0.00000   0.00000   0.00001   0.00001   2.04597
   R22        2.64442  -0.00002  -0.00008  -0.00001  -0.00009   2.64433
   R23        2.67470   0.00003   0.00012   0.00001   0.00013   2.67483
   R24        2.62361   0.00001   0.00008   0.00001   0.00009   2.62370
   R25        2.04858   0.00000   0.00002  -0.00001   0.00001   2.04859
   R26        2.04117  -0.00001  -0.00002  -0.00002  -0.00003   2.04114
   R27        2.69779   0.00004   0.00012   0.00003   0.00015   2.69794
   R28        3.33293   0.00001  -0.00056  -0.00006  -0.00062   3.33231
   R29        2.67212  -0.00001  -0.00005  -0.00001  -0.00006   2.67206
   R30        2.65350  -0.00000  -0.00006   0.00002  -0.00004   2.65346
   R31        2.61434   0.00007   0.00010   0.00007   0.00017   2.61451
   R32        2.65246  -0.00002  -0.00007  -0.00003  -0.00009   2.65237
   R33        2.62543   0.00002   0.00009   0.00001   0.00010   2.62553
   R34        2.03735  -0.00001   0.00001  -0.00002  -0.00001   2.03734
   R35        2.65107  -0.00004  -0.00013  -0.00002  -0.00016   2.65091
   R36        2.04945   0.00000   0.00001   0.00000   0.00001   2.04946
   R37        2.62494   0.00001   0.00004   0.00000   0.00004   2.62498
   R38        2.67964   0.00003   0.00016  -0.00001   0.00015   2.67980
   R39        2.04789   0.00000   0.00001  -0.00000   0.00001   2.04790
   R40        2.65162  -0.00000  -0.00003   0.00000  -0.00003   2.65159
   R41        2.65183  -0.00000  -0.00003   0.00000  -0.00003   2.65180
   R42        2.65033  -0.00000  -0.00005   0.00000  -0.00005   2.65027
   R43        2.64975  -0.00001  -0.00008  -0.00001  -0.00009   2.64965
   R44        2.64744  -0.00003  -0.00012  -0.00002  -0.00014   2.64730
   R45        2.64604  -0.00001  -0.00008  -0.00000  -0.00009   2.64596
   R46        2.67827   0.00000   0.00002   0.00000   0.00003   2.67830
   R47        2.64059   0.00000  -0.00001   0.00000  -0.00000   2.64059
   R48        2.73714  -0.00000   0.00001  -0.00001   0.00000   2.73714
   R49        2.64479   0.00000   0.00001  -0.00000   0.00001   2.64480
   R50        2.67933   0.00000   0.00002   0.00000   0.00002   2.67935
   R51        2.64457   0.00000   0.00001  -0.00000   0.00001   2.64458
   R52        2.64147   0.00000   0.00001  -0.00001   0.00001   2.64148
   R53        2.67845   0.00000   0.00002  -0.00000   0.00001   2.67846
   R54        2.64101   0.00000   0.00000  -0.00000  -0.00000   2.64101
   R55        2.73664  -0.00000   0.00002  -0.00001   0.00001   2.73665
   R56        2.64453   0.00000   0.00000  -0.00000   0.00000   2.64453
   R57        2.67869   0.00000   0.00001  -0.00000   0.00001   2.67870
   R58        2.64456   0.00000   0.00000   0.00000   0.00000   2.64457
   R59        2.64122  -0.00000  -0.00001   0.00000  -0.00001   2.64122
   R60        2.67964   0.00001   0.00003  -0.00000   0.00003   2.67968
   R61        2.64063   0.00000   0.00000  -0.00000  -0.00000   2.64063
   R62        2.73662  -0.00000   0.00001  -0.00000   0.00001   2.73662
   R63        2.64506   0.00000   0.00001  -0.00000   0.00001   2.64506
   R64        2.67992   0.00000   0.00003  -0.00001   0.00003   2.67995
   R65        2.64484   0.00000   0.00001  -0.00000   0.00001   2.64485
   R66        2.64102   0.00000  -0.00000  -0.00001  -0.00001   2.64101
   R67        2.62990   0.00000   0.00000  -0.00000   0.00000   2.62990
   R68        2.05259   0.00000   0.00000   0.00000   0.00000   2.05259
   R69        2.65485   0.00000   0.00002  -0.00000   0.00001   2.65486
   R70        2.05138   0.00000   0.00001  -0.00000   0.00000   2.05138
   R71        2.63354   0.00000  -0.00001  -0.00000  -0.00001   2.63353
   R72        2.05240   0.00000   0.00000   0.00000   0.00001   2.05241
   R73        2.04890  -0.00000   0.00001  -0.00000   0.00001   2.04891
   R74        2.63283   0.00000   0.00000  -0.00000   0.00000   2.63283
   R75        2.04899   0.00001   0.00003  -0.00002   0.00001   2.04901
   R76        2.65524   0.00000   0.00001  -0.00000   0.00001   2.65525
   R77        2.05213   0.00000   0.00000  -0.00000   0.00000   2.05214
   R78        2.62963   0.00000   0.00001  -0.00000   0.00000   2.62964
   R79        2.05144   0.00000   0.00000  -0.00000   0.00000   2.05144
   R80        2.05263   0.00000   0.00000   0.00000   0.00000   2.05263
   R81        2.62976   0.00000   0.00001  -0.00001   0.00000   2.62977
   R82        2.05264   0.00000   0.00001   0.00000   0.00001   2.05265
   R83        2.65442   0.00000   0.00000   0.00000   0.00000   2.65442
   R84        2.05138   0.00000   0.00000   0.00000   0.00000   2.05138
   R85        2.63276   0.00000   0.00001  -0.00000   0.00001   2.63277
   R86        2.05208   0.00000   0.00000  -0.00000   0.00000   2.05208
   R87        2.04829   0.00000   0.00001  -0.00000   0.00001   2.04830
   R88        2.63287   0.00000   0.00000   0.00000   0.00000   2.63288
   R89        2.04847   0.00000   0.00001  -0.00000   0.00001   2.04848
   R90        2.65472   0.00000   0.00001  -0.00000   0.00000   2.65473
   R91        2.05213   0.00000   0.00000  -0.00000   0.00000   2.05213
   R92        2.62955   0.00000   0.00001  -0.00000   0.00000   2.62955
   R93        2.05144   0.00000  -0.00000   0.00000   0.00000   2.05144
   R94        2.05264   0.00000   0.00000  -0.00000   0.00000   2.05264
   R95        2.62989   0.00000   0.00000   0.00000   0.00000   2.62989
   R96        2.05272   0.00000   0.00001  -0.00000   0.00000   2.05272
   R97        2.65531   0.00000   0.00002  -0.00000   0.00002   2.65532
   R98        2.05146   0.00000   0.00000  -0.00000   0.00000   2.05146
   R99        2.63278   0.00000  -0.00001   0.00000  -0.00001   2.63277
   R100       2.05232   0.00000   0.00000   0.00000   0.00000   2.05232
   R101       2.04922   0.00000   0.00001  -0.00000   0.00001   2.04924
   R102       2.63263  -0.00000  -0.00000  -0.00000  -0.00001   2.63262
   R103       2.04900   0.00000   0.00002  -0.00000   0.00001   2.04901
   R104       2.65546   0.00000   0.00002  -0.00000   0.00002   2.65547
   R105       2.05223   0.00000   0.00000   0.00000   0.00000   2.05223
   R106       2.62960   0.00000   0.00001  -0.00000   0.00001   2.62960
   R107       2.05146  -0.00000   0.00000  -0.00000   0.00000   2.05146
   R108       2.05273   0.00000   0.00000   0.00000   0.00000   2.05274
   R109       2.78649   0.00002   0.00007  -0.00000   0.00007   2.78656
   R110       3.02644   0.00010   0.00013   0.00007   0.00020   3.02664
   R111       3.04092  -0.00000  -0.00003  -0.00006  -0.00009   3.04083
   R112       2.77189   0.00014   0.00009  -0.00004   0.00005   2.77194
   R113       2.76015   0.00001   0.00020  -0.00011   0.00010   2.76025
   R114       2.86333  -0.00002  -0.00005  -0.00000  -0.00005   2.86328
   R115       2.06244   0.00002  -0.00002  -0.00005  -0.00007   2.06237
   R116       2.06662   0.00001  -0.00003   0.00003   0.00000   2.06662
   R117       2.06945  -0.00000   0.00001  -0.00001   0.00000   2.06945
   R118       2.06656  -0.00000   0.00000  -0.00001  -0.00001   2.06655
   R119       2.06419   0.00001   0.00004   0.00001   0.00004   2.06424
   R120       2.86901   0.00001  -0.00004   0.00003  -0.00001   2.86900
   R121       2.06467  -0.00000  -0.00002   0.00000  -0.00002   2.06465
   R122       2.06841  -0.00001  -0.00005   0.00001  -0.00004   2.06837
   R123       2.06948   0.00000   0.00000   0.00000   0.00001   2.06949
   R124       2.06402  -0.00000   0.00001   0.00000   0.00001   2.06404
   R125       2.06694   0.00000  -0.00001   0.00002   0.00000   2.06695
   R126       5.64488  -0.00004   0.00245  -0.00049   0.00196   5.64684
    A1        2.08894   0.00000   0.00004  -0.00000   0.00004   2.08897
    A2        2.09438  -0.00000  -0.00001  -0.00000  -0.00001   2.09436
    A3        2.09985  -0.00000  -0.00003   0.00001  -0.00002   2.09982
    A4        2.11044   0.00001  -0.00001  -0.00001  -0.00002   2.11042
    A5        2.06977  -0.00000   0.00001   0.00002   0.00002   2.06980
    A6        2.10272  -0.00000   0.00001  -0.00001  -0.00000   2.10272
    A7        2.07591  -0.00001  -0.00002   0.00002  -0.00000   2.07591
    A8        2.14184  -0.00000   0.00003   0.00001   0.00004   2.14188
    A9        2.06173   0.00001  -0.00001  -0.00003  -0.00004   2.06169
   A10        2.09064   0.00000   0.00002  -0.00000   0.00002   2.09066
   A11        2.09522   0.00001  -0.00003  -0.00001  -0.00004   2.09518
   A12        2.09694  -0.00001   0.00001   0.00001   0.00002   2.09696
   A13        2.10802   0.00000  -0.00001  -0.00000  -0.00001   2.10800
   A14        2.06724  -0.00000   0.00000   0.00000   0.00000   2.06724
   A15        2.10793  -0.00000   0.00001   0.00000   0.00001   2.10794
   A16        2.09015  -0.00000  -0.00002   0.00001  -0.00002   2.09014
   A17        2.08870   0.00000  -0.00001  -0.00000  -0.00001   2.08869
   A18        2.10433   0.00000   0.00003  -0.00000   0.00003   2.10436
   A19        2.09612   0.00001   0.00003   0.00000   0.00003   2.09615
   A20        2.10168  -0.00001  -0.00001  -0.00004  -0.00005   2.10163
   A21        2.07938  -0.00000  -0.00001   0.00003   0.00002   2.07940
   A22        2.07003  -0.00001  -0.00010  -0.00001  -0.00011   2.06993
   A23        2.06968   0.00000   0.00006  -0.00002   0.00004   2.06972
   A24        2.13903   0.00001   0.00007   0.00002   0.00009   2.13913
   A25        1.94204  -0.00003  -0.00063  -0.00014  -0.00077   1.94127
   A26        2.05452  -0.00001  -0.00067  -0.00001  -0.00068   2.05384
   A27        2.01639  -0.00001  -0.00046  -0.00005  -0.00051   2.01589
   A28        2.02696  -0.00002  -0.00021  -0.00004  -0.00026   2.02670
   A29        2.08343   0.00001   0.00002   0.00003   0.00005   2.08348
   A30        2.17030   0.00001   0.00018   0.00002   0.00019   2.17049
   A31        2.11878   0.00000  -0.00002  -0.00002  -0.00004   2.11874
   A32        2.09595   0.00000   0.00003  -0.00001   0.00002   2.09596
   A33        2.06789  -0.00000  -0.00001   0.00003   0.00001   2.06790
   A34        2.08016  -0.00001   0.00002  -0.00001   0.00001   2.08017
   A35        2.09902   0.00001  -0.00001  -0.00000  -0.00001   2.09901
   A36        2.10323  -0.00000  -0.00001   0.00001   0.00000   2.10323
   A37        2.09169   0.00000   0.00001   0.00001   0.00002   2.09171
   A38        2.09147  -0.00000  -0.00001   0.00000  -0.00001   2.09146
   A39        2.09964  -0.00000   0.00001  -0.00001  -0.00000   2.09963
   A40        2.12166   0.00000  -0.00004   0.00000  -0.00004   2.12162
   A41        2.10004  -0.00000   0.00006   0.00002   0.00008   2.10012
   A42        2.06000  -0.00000  -0.00002  -0.00002  -0.00004   2.05996
   A43        2.08172  -0.00005  -0.00001   0.00002   0.00001   2.08173
   A44        2.05678   0.00015  -0.00009   0.00003  -0.00006   2.05672
   A45        2.08285  -0.00008   0.00004   0.00008   0.00012   2.08296
   A46        2.07657   0.00003   0.00015  -0.00001   0.00014   2.07672
   A47        2.14970  -0.00002  -0.00018   0.00006  -0.00012   2.14958
   A48        2.05612  -0.00002   0.00003  -0.00005  -0.00002   2.05610
   A49        2.14126   0.00001  -0.00000   0.00001   0.00001   2.14127
   A50        2.10443   0.00001  -0.00002   0.00004   0.00002   2.10445
   A51        2.03728  -0.00002   0.00002  -0.00006  -0.00004   2.03724
   A52        2.07836   0.00001   0.00010   0.00001   0.00011   2.07847
   A53        2.11208   0.00001   0.00001   0.00002   0.00003   2.11211
   A54        2.10616   0.00000  -0.00002   0.00003   0.00002   2.10618
   A55        2.06493  -0.00001   0.00001  -0.00005  -0.00004   2.06488
   A56        2.11424  -0.00001  -0.00008   0.00001  -0.00007   2.11417
   A57        2.08324   0.00001   0.00007   0.00000   0.00008   2.08331
   A58        2.08571  -0.00000   0.00001  -0.00001  -0.00001   2.08570
   A59        2.06736  -0.00000   0.00007  -0.00002   0.00005   2.06742
   A60        2.10524   0.00000  -0.00002   0.00000  -0.00002   2.10522
   A61        2.11058   0.00000  -0.00005   0.00002  -0.00004   2.11055
   A62        2.11173   0.00001  -0.00002  -0.00000  -0.00002   2.11171
   A63        2.05170   0.00000   0.00012  -0.00001   0.00011   2.05181
   A64        2.11972  -0.00001  -0.00010   0.00001  -0.00009   2.11963
   A65        2.19604   0.00000  -0.00000   0.00001   0.00000   2.19605
   A66        2.19700  -0.00000  -0.00002  -0.00000  -0.00002   2.19698
   A67        1.89014   0.00000   0.00002  -0.00001   0.00001   1.89016
   A68        2.19114  -0.00000  -0.00001   0.00000  -0.00001   2.19114
   A69        2.20056   0.00000  -0.00003  -0.00000  -0.00003   2.20053
   A70        1.89142  -0.00000   0.00003  -0.00000   0.00003   1.89145
   A71        2.19615  -0.00000  -0.00001   0.00001   0.00000   2.19615
   A72        2.19518  -0.00000  -0.00002  -0.00001  -0.00003   2.19515
   A73        1.89177   0.00000   0.00004   0.00000   0.00004   1.89181
   A74        1.90048   0.00000  -0.00000  -0.00000  -0.00000   1.90048
   A75        2.25866   0.00000  -0.00002   0.00001  -0.00001   2.25864
   A76        2.12343  -0.00000   0.00003  -0.00001   0.00002   2.12345
   A77        1.86632  -0.00000  -0.00001  -0.00000  -0.00002   1.86631
   A78        2.08604   0.00000  -0.00003   0.00000  -0.00003   2.08601
   A79        2.33076   0.00000   0.00004  -0.00000   0.00004   2.33080
   A80        1.86647  -0.00000  -0.00002   0.00000  -0.00002   1.86645
   A81        2.33007   0.00000   0.00004   0.00000   0.00004   2.33012
   A82        2.08654   0.00000  -0.00002  -0.00000  -0.00002   2.08652
   A83        1.90007   0.00000   0.00001   0.00000   0.00001   1.90009
   A84        2.26161  -0.00000  -0.00002  -0.00001  -0.00003   2.26158
   A85        2.12070  -0.00000   0.00002   0.00001   0.00002   2.12072
   A86        1.90068  -0.00000  -0.00001   0.00000  -0.00000   1.90068
   A87        2.26095   0.00000  -0.00000   0.00000  -0.00000   2.26094
   A88        2.12081  -0.00000   0.00001  -0.00000   0.00001   2.12082
   A89        1.86674  -0.00000  -0.00001   0.00000  -0.00000   1.86674
   A90        2.08733   0.00000  -0.00001   0.00000  -0.00001   2.08731
   A91        2.32900   0.00000   0.00002  -0.00000   0.00002   2.32902
   A92        1.86660  -0.00000  -0.00001   0.00000  -0.00001   1.86659
   A93        2.32906   0.00000   0.00003  -0.00001   0.00003   2.32908
   A94        2.08749   0.00000  -0.00002   0.00001  -0.00001   2.08748
   A95        1.90061   0.00000   0.00000   0.00000   0.00000   1.90061
   A96        2.26300  -0.00000  -0.00003   0.00000  -0.00002   2.26297
   A97        2.11902   0.00000   0.00003  -0.00001   0.00002   2.11905
   A98        1.90082   0.00000   0.00001  -0.00000   0.00001   1.90083
   A99        2.25951  -0.00000  -0.00005  -0.00001  -0.00005   2.25946
   A100       2.12249  -0.00000   0.00004   0.00001   0.00005   2.12254
   A101       1.86561  -0.00000  -0.00003   0.00000  -0.00003   1.86558
   A102       2.08582  -0.00000  -0.00004  -0.00001  -0.00005   2.08577
   A103       2.33172   0.00001   0.00007   0.00001   0.00008   2.33179
   A104       1.86529  -0.00000  -0.00002  -0.00000  -0.00002   1.86527
   A105       2.33214   0.00000   0.00005   0.00001   0.00006   2.33220
   A106       2.08569   0.00000  -0.00003  -0.00001  -0.00004   2.08566
   A107       1.90128   0.00000  -0.00000  -0.00000  -0.00000   1.90128
   A108       2.25939  -0.00000  -0.00002  -0.00001  -0.00003   2.25936
   A109       2.12208   0.00000   0.00003   0.00001   0.00005   2.12213
   A110       2.08028   0.00000   0.00000   0.00000   0.00000   2.08028
   A111       2.09987  -0.00000   0.00000  -0.00000  -0.00000   2.09987
   A112       2.10301   0.00000  -0.00000   0.00000  -0.00000   2.10301
   A113       2.10388  -0.00000   0.00001  -0.00000   0.00001   2.10389
   A114       2.09184   0.00000  -0.00000   0.00000   0.00000   2.09184
   A115       2.08744  -0.00000  -0.00001   0.00000  -0.00001   2.08743
   A116       2.11929   0.00000  -0.00001   0.00001  -0.00000   2.11929
   A117       2.08580  -0.00000  -0.00001  -0.00000  -0.00001   2.08579
   A118       2.07806  -0.00000   0.00001  -0.00000   0.00001   2.07807
   A119       2.05538   0.00000  -0.00000  -0.00001  -0.00001   2.05536
   A120       2.11883  -0.00000  -0.00003  -0.00000  -0.00003   2.11881
   A121       2.10888   0.00000   0.00003   0.00001   0.00004   2.10892
   A122       2.05288   0.00000  -0.00001   0.00000  -0.00001   2.05287
   A123       2.11909   0.00000  -0.00002   0.00000  -0.00002   2.11907
   A124       2.11117  -0.00000   0.00003  -0.00000   0.00002   2.11119
   A125       2.12026   0.00000  -0.00001   0.00000  -0.00000   2.12026
   A126       2.07760   0.00000   0.00001   0.00000   0.00001   2.07761
   A127       2.08531  -0.00000  -0.00000  -0.00001  -0.00001   2.08530
   A128       2.10453  -0.00000   0.00001  -0.00000   0.00001   2.10454
   A129       2.08709   0.00000  -0.00001   0.00001  -0.00000   2.08709
   A130       2.09154  -0.00000  -0.00001  -0.00000  -0.00001   2.09153
   A131       2.07903   0.00000   0.00000   0.00000   0.00001   2.07903
   A132       2.10059  -0.00000   0.00000  -0.00000   0.00000   2.10059
   A133       2.10355  -0.00000  -0.00001  -0.00000  -0.00001   2.10355
   A134       2.08025  -0.00000   0.00000  -0.00000  -0.00000   2.08025
   A135       2.09963   0.00000   0.00001  -0.00000   0.00001   2.09964
   A136       2.10330   0.00000  -0.00001   0.00000  -0.00000   2.10330
   A137       2.10349   0.00000   0.00001  -0.00000   0.00001   2.10350
   A138       2.09212   0.00000  -0.00001   0.00000  -0.00000   2.09212
   A139       2.08758  -0.00000  -0.00000  -0.00000  -0.00001   2.08757
   A140       2.11899   0.00000  -0.00000   0.00000  -0.00000   2.11899
   A141       2.08808  -0.00000  -0.00000  -0.00000  -0.00001   2.08807
   A142       2.07611   0.00000   0.00001   0.00000   0.00001   2.07612
   A143       2.05688  -0.00000  -0.00001  -0.00000  -0.00001   2.05687
   A144       2.12033  -0.00000  -0.00001   0.00000  -0.00001   2.12032
   A145       2.10595   0.00000   0.00002  -0.00000   0.00002   2.10597
   A146       2.05466   0.00000  -0.00000   0.00000  -0.00000   2.05466
   A147       2.11954  -0.00000  -0.00001  -0.00000  -0.00002   2.11952
   A148       2.10894   0.00000   0.00002   0.00000   0.00002   2.10896
   A149       2.12012  -0.00000  -0.00000  -0.00000  -0.00001   2.12011
   A150       2.07747  -0.00000   0.00001  -0.00000   0.00000   2.07748
   A151       2.08558   0.00000  -0.00000   0.00001   0.00000   2.08559
   A152       2.10374  -0.00000   0.00001  -0.00000   0.00001   2.10374
   A153       2.08743  -0.00000  -0.00001   0.00000  -0.00001   2.08743
   A154       2.09199   0.00000   0.00000   0.00000   0.00000   2.09199
   A155       2.07946   0.00000   0.00000   0.00000   0.00000   2.07946
   A156       2.10013  -0.00000  -0.00000   0.00000  -0.00000   2.10013
   A157       2.10358  -0.00000  -0.00000  -0.00000  -0.00000   2.10358
   A158       2.08001  -0.00000   0.00000  -0.00000   0.00000   2.08001
   A159       2.10021  -0.00000  -0.00000  -0.00000  -0.00000   2.10021
   A160       2.10296   0.00000  -0.00000   0.00000   0.00000   2.10296
   A161       2.10432   0.00000   0.00001   0.00000   0.00002   2.10434
   A162       2.09174  -0.00000   0.00000  -0.00001  -0.00001   2.09173
   A163       2.08711   0.00000  -0.00001   0.00000  -0.00001   2.08710
   A164       2.11952   0.00000  -0.00000  -0.00000  -0.00000   2.11951
   A165       2.08514  -0.00000  -0.00001  -0.00000  -0.00001   2.08513
   A166       2.07852   0.00000   0.00001   0.00000   0.00001   2.07853
   A167       2.05460  -0.00000  -0.00001  -0.00001  -0.00002   2.05457
   A168       2.11746  -0.00000  -0.00003  -0.00000  -0.00003   2.11743
   A169       2.11110   0.00000   0.00004   0.00001   0.00005   2.11115
   A170       2.05409   0.00000  -0.00001  -0.00000  -0.00001   2.05407
   A171       2.11789  -0.00000  -0.00005  -0.00000  -0.00005   2.11784
   A172       2.11120   0.00000   0.00006   0.00001   0.00007   2.11127
   A173       2.11988   0.00000  -0.00001   0.00000  -0.00001   2.11986
   A174       2.07810   0.00000   0.00002  -0.00000   0.00002   2.07812
   A175       2.08520  -0.00000  -0.00001  -0.00000  -0.00001   2.08520
   A176       2.10435   0.00000   0.00002  -0.00000   0.00002   2.10437
   A177       2.08706  -0.00000  -0.00001   0.00000  -0.00001   2.08705
   A178       2.09177  -0.00000  -0.00001   0.00000  -0.00001   2.09176
   A179       2.07964   0.00000   0.00000   0.00001   0.00001   2.07965
   A180       2.10034  -0.00000   0.00001  -0.00000   0.00000   2.10035
   A181       2.10319  -0.00000  -0.00001  -0.00000  -0.00001   2.10318
   A182       2.01374   0.00007  -0.00013  -0.00007  -0.00020   2.01354
   A183       1.84473   0.00019   0.00018   0.00005   0.00023   1.84496
   A184       1.71789  -0.00016   0.00042  -0.00003   0.00040   1.71829
   A185       2.02536  -0.00001  -0.00014  -0.00003  -0.00016   2.02519
   A186       2.04044   0.00001  -0.00022   0.00013  -0.00009   2.04036
   A187       1.78134  -0.00012  -0.00001  -0.00006  -0.00007   1.78127
   A188       2.12664   0.00082  -0.00035  -0.00011  -0.00046   2.12619
   A189       2.07997   0.00005   0.00007   0.00005   0.00012   2.08010
   A190       1.90980  -0.00003  -0.00003   0.00009   0.00007   1.90987
   A191       1.90305   0.00031   0.00003  -0.00025  -0.00022   1.90284
   A192       1.83738  -0.00014  -0.00001   0.00011   0.00010   1.83748
   A193       1.95644  -0.00012  -0.00032   0.00034   0.00003   1.95647
   A194       1.95084   0.00007   0.00016  -0.00014   0.00002   1.95086
   A195       1.90210  -0.00007   0.00018  -0.00018   0.00000   1.90210
   A196       1.90706  -0.00001   0.00001  -0.00007  -0.00006   1.90701
   A197       1.93823  -0.00001   0.00028  -0.00018   0.00010   1.93833
   A198       1.93169   0.00002  -0.00013   0.00018   0.00005   1.93174
   A199       1.89143   0.00001   0.00006  -0.00000   0.00006   1.89149
   A200       1.88911   0.00000  -0.00018   0.00008  -0.00010   1.88902
   A201       1.90521  -0.00001  -0.00005  -0.00001  -0.00005   1.90515
   A202       1.94384  -0.00000  -0.00020  -0.00000  -0.00020   1.94363
   A203       1.82333  -0.00001  -0.00001  -0.00005  -0.00006   1.82328
   A204       1.90501   0.00001   0.00005   0.00003   0.00009   1.90510
   A205       1.94885   0.00000   0.00010  -0.00001   0.00008   1.94893
   A206       1.95147  -0.00001  -0.00009   0.00008  -0.00001   1.95146
   A207       1.88606   0.00000   0.00017  -0.00006   0.00011   1.88617
   A208       1.91179   0.00000   0.00005   0.00003   0.00007   1.91187
   A209       1.93226  -0.00001  -0.00008  -0.00003  -0.00011   1.93215
   A210       1.93098   0.00000   0.00003   0.00000   0.00003   1.93101
   A211       1.89882  -0.00000  -0.00008   0.00002  -0.00006   1.89876
   A212       1.88799  -0.00000   0.00004  -0.00002   0.00002   1.88801
   A213       1.90115   0.00000   0.00004   0.00001   0.00005   1.90120
   A214       2.06878   0.00044  -0.00098   0.00095  -0.00004   2.06874
    D1       -0.00164   0.00000  -0.00008   0.00003  -0.00006  -0.00170
    D2        3.11612   0.00000  -0.00000   0.00002   0.00002   3.11614
    D3        3.13262   0.00000  -0.00011   0.00004  -0.00007   3.13255
    D4       -0.03281   0.00000  -0.00003   0.00004   0.00001  -0.03280
    D5       -0.03731  -0.00000   0.00005   0.00000   0.00005  -0.03726
    D6        3.10794  -0.00000   0.00007   0.00001   0.00008   3.10802
    D7        3.11164   0.00000   0.00007  -0.00001   0.00006   3.11170
    D8       -0.02630   0.00000   0.00010  -0.00000   0.00009  -0.02621
    D9        2.26255  -0.00000  -0.00060  -0.00003  -0.00063   2.26193
   D10       -0.87685  -0.00000  -0.00023  -0.00000  -0.00023  -0.87708
   D11       -0.88642  -0.00001  -0.00063  -0.00002  -0.00064  -0.88706
   D12        2.25737  -0.00000  -0.00026   0.00001  -0.00025   2.25712
   D13        0.05533  -0.00000   0.00004  -0.00004  -0.00000   0.05532
   D14       -2.99200   0.00001  -0.00000  -0.00002  -0.00002  -2.99202
   D15       -3.06198  -0.00000  -0.00005  -0.00003  -0.00008  -3.06206
   D16        0.17388   0.00001  -0.00008  -0.00001  -0.00010   0.17378
   D17       -0.07049  -0.00000   0.00005   0.00002   0.00007  -0.07042
   D18        3.04136   0.00000   0.00019  -0.00007   0.00012   3.04148
   D19        2.98119  -0.00001   0.00009   0.00000   0.00009   2.98128
   D20       -0.19015  -0.00001   0.00023  -0.00009   0.00014  -0.19001
   D21       -2.91700   0.00001   0.00034   0.00017   0.00051  -2.91650
   D22        0.34310   0.00001   0.00030   0.00021   0.00050   0.34360
   D23        0.31813   0.00001   0.00030   0.00019   0.00049   0.31862
   D24       -2.70496   0.00002   0.00026   0.00023   0.00049  -2.70447
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   D61        3.09659   0.00003   0.00027   0.00002   0.00029   3.09687
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   D73        0.94665   0.00001   0.00116   0.00013   0.00129   0.94794
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   D79       -0.04335   0.00002   0.00001   0.00005   0.00007  -0.04328
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   D81       -2.80668  -0.00006   0.00021  -0.00034  -0.00012  -2.80680
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   D83        0.15551   0.00001   0.00009  -0.00020  -0.00011   0.15540
   D84       -2.10729  -0.00018   0.00022  -0.00015   0.00007  -2.10722
   D85        2.34095  -0.00005   0.00005  -0.00009  -0.00004   2.34091
   D86        2.92420   0.00004  -0.00009   0.00018   0.00009   2.92429
   D87        0.66139  -0.00015   0.00004   0.00023   0.00027   0.66166
   D88       -1.17355  -0.00002  -0.00014   0.00029   0.00015  -1.17339
   D89        0.01536  -0.00002  -0.00072   0.00004  -0.00068   0.01468
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   D91        3.11559  -0.00002  -0.00078   0.00008  -0.00070   3.11488
   D92       -0.00269  -0.00001  -0.00052   0.00009  -0.00043  -0.00312
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   D97       -0.01055  -0.00000   0.00048  -0.00008   0.00039  -0.01015
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   D116       0.95101   0.00002   0.00215   0.00023   0.00238   0.95338
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   D244       3.14047  -0.00000   0.00001  -0.00000   0.00001   3.14048
   D245       3.12787  -0.00000   0.00004  -0.00000   0.00004   3.12791
   D246      -0.00657   0.00000   0.00004   0.00001   0.00005  -0.00653
   D247       0.00789   0.00000  -0.00003   0.00001  -0.00003   0.00786
   D248      -3.12760   0.00000  -0.00008   0.00002  -0.00006  -3.12766
   D249      -3.14087  -0.00000  -0.00003  -0.00000  -0.00003  -3.14090
   D250       0.00683  -0.00000  -0.00007   0.00001  -0.00007   0.00676
   D251      -0.00957  -0.00000   0.00001  -0.00001   0.00000  -0.00957
   D252       3.13592  -0.00000   0.00003  -0.00000   0.00003   3.13595
   D253       3.12888   0.00000   0.00002  -0.00001   0.00002   3.12889
   D254      -0.00882   0.00000   0.00004  -0.00000   0.00004  -0.00878
   D255       0.00751  -0.00000  -0.00002   0.00002  -0.00001   0.00750
   D256      -3.13692   0.00000  -0.00004   0.00004   0.00000  -3.13692
   D257      -3.13797  -0.00000  -0.00004   0.00001  -0.00003  -3.13800
   D258       0.00079  -0.00000  -0.00006   0.00004  -0.00002   0.00076
   D259       0.00877   0.00000  -0.00003   0.00001  -0.00002   0.00875
   D260      -3.12599   0.00000  -0.00002   0.00001  -0.00001  -3.12599
   D261      -3.13001   0.00000  -0.00001  -0.00002  -0.00003  -3.13004
   D262       0.01842  -0.00000   0.00000  -0.00002  -0.00001   0.01841
   D263       0.00637  -0.00000  -0.00003   0.00000  -0.00003   0.00634
   D264      -3.14019  -0.00000  -0.00001  -0.00000  -0.00002  -3.14021
   D265      -3.12412   0.00000  -0.00003   0.00001  -0.00003  -3.12415
   D266       0.01250   0.00000  -0.00001   0.00000  -0.00001   0.01249
   D267       0.00966   0.00000  -0.00002   0.00001  -0.00001   0.00964
   D268      -3.13970   0.00000   0.00002   0.00002   0.00003  -3.13967
   D269      -3.12694   0.00000  -0.00004   0.00001  -0.00003  -3.12697
   D270       0.00689   0.00000  -0.00000   0.00002   0.00001   0.00690
   D271      -0.00910   0.00000   0.00003   0.00001   0.00004  -0.00906
   D272       3.12590  -0.00000   0.00004  -0.00002   0.00002   3.12592
   D273       3.14028  -0.00000  -0.00000  -0.00000  -0.00000   3.14027
   D274      -0.00790  -0.00000  -0.00000  -0.00003  -0.00003  -0.00793
   D275       0.00674  -0.00000  -0.00008  -0.00001  -0.00009   0.00665
   D276      -3.14069   0.00000  -0.00004   0.00001  -0.00002  -3.14072
   D277      -3.12970  -0.00000  -0.00010   0.00001  -0.00009  -3.12979
   D278       0.00605   0.00000  -0.00005   0.00003  -0.00002   0.00603
   D279      -0.00712   0.00000   0.00005  -0.00000   0.00004  -0.00708
   D280       3.13008   0.00000   0.00010   0.00000   0.00010   3.13018
   D281       3.14030  -0.00000   0.00000  -0.00002  -0.00002   3.14027
   D282      -0.00568   0.00000   0.00006  -0.00002   0.00004  -0.00565
   D283      -0.00482   0.00000   0.00008   0.00000   0.00008  -0.00474
   D284       3.12829   0.00000   0.00011   0.00001   0.00012   3.12841
   D285       3.14114  -0.00000   0.00002  -0.00000   0.00002   3.14116
   D286      -0.00894  -0.00000   0.00006   0.00000   0.00006  -0.00888
   D287      -0.00355  -0.00000   0.00002  -0.00001   0.00001  -0.00354
   D288       3.13953  -0.00000  -0.00001  -0.00000  -0.00001   3.13952
   D289       3.13427   0.00000   0.00010   0.00000   0.00010   3.13437
   D290      -0.00584   0.00000   0.00007   0.00001   0.00009  -0.00575
   D291      -0.00622  -0.00000   0.00007  -0.00001   0.00006  -0.00616
   D292       3.13866   0.00000   0.00006  -0.00001   0.00005   3.13871
   D293       3.13389  -0.00000   0.00009  -0.00002   0.00008   3.13396
   D294      -0.00442   0.00000   0.00009  -0.00002   0.00007  -0.00435
   D295       0.00524   0.00000  -0.00004   0.00001  -0.00003   0.00521
   D296      -3.13220  -0.00000  -0.00008   0.00001  -0.00008  -3.13228
   D297      -3.13965   0.00000  -0.00003   0.00001  -0.00002  -3.13967
   D298       0.00610  -0.00000  -0.00008   0.00001  -0.00007   0.00603
   D299       1.78690   0.00032  -0.00034  -0.00068  -0.00102   1.78588
   D300      -0.46911   0.00007  -0.00022  -0.00061  -0.00083  -0.46993
   D301      -2.70805   0.00016   0.00016  -0.00072  -0.00055  -2.70860
   D302       3.10326   0.00004   0.00040  -0.00048  -0.00008   3.10318
   D303      -1.01343   0.00003   0.00043  -0.00051  -0.00009  -1.01352
   D304       1.21589  -0.00008   0.00010  -0.00051  -0.00041   1.21548
   D305      -2.14335  -0.00000   0.00183  -0.00001   0.00183  -2.14153
   D306       0.00217   0.00002   0.00144   0.00032   0.00176   0.00393
   D307       2.04076   0.00001   0.00167   0.00004   0.00171   2.04247
   D308       1.53726   0.00001   0.00049   0.00112   0.00161   1.53886
   D309      -2.63955   0.00000   0.00049   0.00107   0.00156  -2.63798
   D310      -0.62583   0.00001   0.00070   0.00100   0.00170  -0.62413
   D311      -3.05849   0.00015  -0.00221   0.00024  -0.00197  -3.06045
   D312      -0.97297   0.00014  -0.00196   0.00008  -0.00188  -0.97484
   D313       1.14606   0.00014  -0.00192   0.00007  -0.00184   1.14422
   D314       1.11122  -0.00014  -0.00202   0.00027  -0.00175   1.10947
   D315      -3.08644  -0.00014  -0.00177   0.00011  -0.00166  -3.08810
   D316      -0.96741  -0.00014  -0.00173   0.00010  -0.00163  -0.96904
   D317      -1.03025  -0.00001  -0.00214   0.00035  -0.00179  -1.03204
   D318       1.05527  -0.00001  -0.00189   0.00019  -0.00169   1.05358
   D319      -3.10889  -0.00001  -0.00185   0.00019  -0.00166  -3.11055
   D320      -1.06680  -0.00027  -0.00069  -0.00043  -0.00112  -1.06791
   D321       1.05056  -0.00018  -0.00091  -0.00025  -0.00117   1.04939
   D322      -3.06377  -0.00022  -0.00080  -0.00033  -0.00112  -3.06489
   D323       3.09475  -0.00000   0.00003  -0.00034  -0.00031   3.09444
   D324      -1.09445  -0.00001  -0.00008  -0.00033  -0.00041  -1.09486
   D325       1.01497  -0.00001  -0.00006  -0.00034  -0.00040   1.01457
   D326       1.06375   0.00000   0.00011  -0.00027  -0.00016   1.06359
   D327      -3.12545   0.00000  -0.00000  -0.00026  -0.00026  -3.12572
   D328      -1.01603   0.00000   0.00002  -0.00027  -0.00025  -1.01629
   D329      -1.05189   0.00000  -0.00011  -0.00024  -0.00036  -1.05225
   D330       1.04209   0.00000  -0.00023  -0.00023  -0.00046   1.04163
   D331      -3.13168   0.00000  -0.00021  -0.00024  -0.00045  -3.13212
         Item               Value     Threshold  Converged?
 Maximum Force            0.000822     0.000450     NO 
 RMS     Force            0.000051     0.000300     YES
 Maximum Displacement     0.016163     0.001800     NO 
 RMS     Displacement     0.003032     0.001200     NO 
 Predicted change in Energy=-6.217368D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.595386    3.246071    0.120328
      2          6           0       -2.754203    1.865569    0.262233
      3          6           0       -1.650153    1.005717    0.214649
      4          6           0       -0.359245    1.559031    0.088006
      5          6           0       -0.207699    2.942805   -0.072860
      6          6           0       -1.311434    3.782652   -0.070884
      7          6           0       -1.784313   -0.463030    0.174807
      8          6           0       -0.653589   -1.286306    0.401522
      9          6           0        0.629274   -0.640776    0.836419
     10          6           0        0.825374    0.689675    0.162340
     11          6           0       -2.988808   -1.054076   -0.224574
     12          6           0       -3.082820   -2.426988   -0.457834
     13          6           0       -1.938487   -3.221465   -0.325897
     14          6           0       -0.745562   -2.650130    0.096204
     15          7           0        1.789528   -1.463677    0.918765
     16          6           0        3.038211   -0.959314    0.444736
     17          6           0        3.079317    0.325952   -0.143292
     18          7           0        1.958636    1.128100   -0.264982
     19          6           0        4.230886   -1.699223    0.485903
     20          6           0        5.417681   -1.172265   -0.008246
     21          6           0        5.457769    0.103013   -0.591266
     22          6           0        4.279813    0.835811   -0.661815
     23          7           0       -3.726417    4.096487    0.160606
     24          7           0       -4.309906   -2.997748   -0.872581
     25          7           0        6.674345    0.628567   -1.095949
     26          6           0       -4.944714   -4.093179   -0.269294
     27          6           0       -6.156564   -4.356280   -0.955530
     28          6           0       -6.257942   -3.381017   -2.021619
     29          6           0       -5.104819   -2.559930   -1.941418
     30          6           0       -3.862645    5.244797    0.955395
     31          6           0       -5.134651    5.821752    0.714371
     32          6           0       -5.797301    4.988317   -0.267202
     33          6           0       -4.904235    3.934329   -0.584797
     34          6           0        7.256566    1.848086   -0.726772
     35          6           0        8.473975    2.009403   -1.435774
     36          6           0        8.632529    0.837506   -2.271646
     37          6           0        7.506191    0.008566   -2.036234
     38          6           0       -7.202137   -3.148464   -3.028037
     39          6           0       -6.984244   -2.118565   -3.938320
     40          6           0       -5.825862   -1.327746   -3.857840
     41          6           0       -4.870563   -1.537230   -2.865041
     42          6           0       -4.558123   -4.837477    0.848348
     43          6           0       -5.396795   -5.872287    1.256887
     44          6           0       -6.593471   -6.158269    0.578304
     45          6           0       -6.980460   -5.402060   -0.523866
     46          6           0       -7.044452    5.051682   -0.898900
     47          6           0       -7.381959    4.077710   -1.833807
     48          6           0       -6.479165    3.049081   -2.149968
     49          6           0       -5.230690    2.965055   -1.537382
     50          6           0       -2.980925    5.786488    1.894715
     51          6           0       -3.381766    6.935903    2.572461
     52          6           0       -4.630992    7.531538    2.331260
     53          6           0       -5.512504    6.976568    1.408649
     54          6           0        9.606569    0.431922   -3.191221
     55          6           0        9.445121   -0.776890   -3.861647
     56          6           0        8.315582   -1.579013   -3.626815
     57          6           0        7.331282   -1.199497   -2.716797
     58          6           0        6.815740    2.798834    0.197547
     59          6           0        7.606935    3.929040    0.391021
     60          6           0        8.809851    4.111285   -0.312124
     61          6           0        9.249189    3.155197   -1.222742
     62          8           0        0.478973   -3.051896    2.727609
     63         15           0        1.778345   -2.788985    2.081929
     64          8           0        3.009749   -2.511183    3.067674
     65          8           0        2.364936   -3.945137    1.128747
     66          6           0        2.815311   -1.951270    4.409439
     67          6           0        3.618455   -0.673478    4.543551
     68          6           0        2.592866   -5.277349    1.682635
     69          6           0        1.348776   -6.140945    1.575849
     70          1           0       -3.749122    1.473145    0.432749
     71          1           0        0.792454    3.341696   -0.196139
     72          1           0       -1.191748    4.850891   -0.212280
     73          1           0       -3.865047   -0.440672   -0.392314
     74          1           0       -1.980703   -4.274370   -0.580470
     75          1           0        0.132929   -3.277531    0.132103
     76          1           0        4.248436   -2.691266    0.907654
     77          1           0        6.328600   -1.756772    0.060898
     78          1           0        4.250245    1.815455   -1.124233
     79          1           0       -8.090787   -3.768880   -3.100024
     80          1           0       -7.710076   -1.928124   -4.722734
     81          1           0       -5.663951   -0.540285   -4.588103
     82          1           0       -3.971048   -0.933341   -2.823111
     83          1           0       -3.644023   -4.614518    1.387225
     84          1           0       -5.118430   -6.465781    2.122653
     85          1           0       -7.223391   -6.972571    0.922676
     86          1           0       -7.912081   -5.615719   -1.039887
     87          1           0       -7.738039    5.853709   -0.663202
     88          1           0       -8.348561    4.113221   -2.326578
     89          1           0       -6.755667    2.298975   -2.884880
     90          1           0       -4.537685    2.174409   -1.800999
     91          1           0       -2.021283    5.326282    2.100561
     92          1           0       -2.712555    7.375489    3.306072
     93          1           0       -4.911667    8.427943    2.875455
     94          1           0       -6.484246    7.428972    1.232863
     95          1           0       10.474832    1.056212   -3.381827
     96          1           0       10.194346   -1.102449   -4.576611
     97          1           0        8.202376   -2.513913   -4.167770
     98          1           0        6.456674   -1.818653   -2.550514
     99          1           0        5.892259    2.663159    0.749326
    100          1           0        7.284529    4.683260    1.102775
    101          1           0        9.401338    5.005067   -0.139502
    102          1           0       10.183555    3.293109   -1.759307
    103          1           0        1.749356   -1.785441    4.574685
    104          1           0        3.165913   -2.725007    5.098196
    105          1           0        3.538039   -0.302329    5.570699
    106          1           0        4.674960   -0.848334    4.321926
    107          1           0        3.233717    0.096387    3.870865
    108          1           0        3.416829   -5.681967    1.090121
    109          1           0        2.934154   -5.182147    2.718233
    110          1           0        1.566367   -7.145214    1.954529
    111          1           0        0.530976   -5.713992    2.160574
    112          1           0        1.030300   -6.231008    0.533344
    113         17           0        0.304216    0.111898    2.774437
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351309           0.0181714           0.0142866
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.8756114430 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000045    0.000004   -0.000051 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657618     A.U. after    8 cycles
            NFock=  8  Conv=0.55D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001897    0.000005230    0.000001636
      2        6           0.000004969   -0.000005236    0.000001008
      3        6          -0.000002539    0.000009262   -0.000007265
      4        6          -0.000014494    0.000009044    0.000003626
      5        6           0.000002835   -0.000006785    0.000005050
      6        6          -0.000004811   -0.000000033   -0.000000306
      7        6           0.000004887   -0.000010764    0.000001143
      8        6          -0.000024307   -0.000027218   -0.000051875
      9        6          -0.000035525   -0.000000279    0.000071171
     10        6           0.000045524    0.000043237   -0.000054022
     11        6          -0.000000039   -0.000001161    0.000001198
     12        6          -0.000005118    0.000002474    0.000005218
     13        6          -0.000008096    0.000000164    0.000000670
     14        6           0.000003114    0.000011251    0.000000257
     15        7           0.000045875   -0.000037589    0.000000548
     16        6          -0.000010692    0.000003437   -0.000011799
     17        6           0.000053793   -0.000030338   -0.000005075
     18        7          -0.000066272    0.000010197    0.000011550
     19        6          -0.000002793    0.000000473    0.000004532
     20        6           0.000000597    0.000007691   -0.000001839
     21        6          -0.000000427    0.000003239   -0.000011291
     22        6          -0.000011683   -0.000003448   -0.000000746
     23        7           0.000004616    0.000001742   -0.000005974
     24        7           0.000013958   -0.000007692   -0.000015807
     25        7           0.000021741   -0.000009396    0.000031818
     26        6          -0.000003169    0.000002656    0.000004669
     27        6          -0.000001049    0.000000468    0.000000107
     28        6          -0.000001359    0.000000351    0.000002583
     29        6          -0.000004517    0.000002104    0.000003653
     30        6          -0.000001098    0.000001675    0.000000178
     31        6           0.000000905   -0.000000919   -0.000001643
     32        6           0.000000586   -0.000002650    0.000003410
     33        6          -0.000002642   -0.000003422    0.000006022
     34        6          -0.000010924   -0.000004895   -0.000013808
     35        6          -0.000000253    0.000001634   -0.000004619
     36        6          -0.000002543    0.000003591    0.000000037
     37        6          -0.000006019    0.000004838   -0.000010882
     38        6           0.000001062   -0.000000559   -0.000000410
     39        6           0.000000155    0.000001373    0.000000604
     40        6          -0.000000426   -0.000002032   -0.000000284
     41        6           0.000001296   -0.000000679    0.000000001
     42        6          -0.000001315   -0.000001772   -0.000002870
     43        6          -0.000000854    0.000000371   -0.000000389
     44        6          -0.000000022   -0.000000355    0.000000297
     45        6           0.000000359    0.000000495   -0.000000518
     46        6           0.000000448    0.000001341   -0.000001892
     47        6           0.000000010    0.000001118   -0.000000112
     48        6           0.000001125   -0.000000354    0.000001411
     49        6           0.000000259    0.000002899   -0.000003327
     50        6          -0.000001078    0.000000418    0.000000206
     51        6          -0.000000525    0.000000605    0.000000407
     52        6           0.000000043   -0.000000270    0.000000325
     53        6           0.000000312    0.000000487   -0.000000048
     54        6           0.000001122   -0.000001152    0.000000935
     55        6          -0.000001151   -0.000000492   -0.000000268
     56        6           0.000000770    0.000000345   -0.000000253
     57        6           0.000001751   -0.000001942    0.000002953
     58        6           0.000004236   -0.000001681    0.000005418
     59        6          -0.000000536   -0.000000380   -0.000000294
     60        6           0.000000645    0.000000866    0.000000366
     61        6           0.000000144   -0.000001267    0.000001684
     62        8          -0.000000256   -0.000000973    0.000003905
     63       15          -0.000000836    0.000041795   -0.000040339
     64        8          -0.000011598   -0.000029586    0.000046506
     65        8           0.000004773   -0.000025810    0.000009770
     66        6           0.000017918    0.000023804   -0.000047072
     67        6          -0.000013252    0.000012106    0.000002286
     68        6          -0.000003505    0.000030898   -0.000014488
     69        6          -0.000002172   -0.000005171    0.000001502
     70        1          -0.000000801    0.000001039   -0.000001578
     71        1           0.000000985    0.000000813   -0.000000666
     72        1           0.000000627    0.000000750    0.000000517
     73        1           0.000000885   -0.000000765    0.000000303
     74        1           0.000000421   -0.000000778   -0.000001158
     75        1           0.000002887    0.000000513    0.000001430
     76        1           0.000000567    0.000000130    0.000002253
     77        1           0.000000339    0.000000344    0.000001260
     78        1          -0.000001298   -0.000000035    0.000000852
     79        1          -0.000000335   -0.000000051    0.000000199
     80        1          -0.000000096    0.000000030   -0.000000896
     81        1          -0.000000208    0.000001138   -0.000000458
     82        1          -0.000000701   -0.000000338   -0.000000353
     83        1           0.000002102    0.000000544    0.000002046
     84        1           0.000000092   -0.000000332    0.000000226
     85        1          -0.000000021   -0.000000193   -0.000000267
     86        1          -0.000000381    0.000000285   -0.000000149
     87        1          -0.000000714    0.000000314    0.000001057
     88        1          -0.000000387   -0.000000394   -0.000000034
     89        1          -0.000000350    0.000000376   -0.000000576
     90        1           0.000000510   -0.000000691    0.000000523
     91        1           0.000000759   -0.000000181    0.000000742
     92        1           0.000000342   -0.000000111    0.000000265
     93        1           0.000000150    0.000000207    0.000000058
     94        1          -0.000000189   -0.000000164    0.000000433
     95        1           0.000000199    0.000000610   -0.000000580
     96        1           0.000000759   -0.000000185   -0.000000006
     97        1           0.000000154   -0.000000228   -0.000000561
     98        1          -0.000000115    0.000000404   -0.000000466
     99        1          -0.000000281   -0.000000082   -0.000000665
    100        1           0.000000134    0.000000122    0.000000597
    101        1          -0.000000211   -0.000000131   -0.000000178
    102        1           0.000000496    0.000000252   -0.000000500
    103        1           0.000000812   -0.000024895    0.000007914
    104        1          -0.000002098    0.000002170    0.000013744
    105        1           0.000008237   -0.000007793    0.000001012
    106        1          -0.000000134   -0.000003676   -0.000007313
    107        1           0.000003852    0.000002538    0.000004158
    108        1           0.000004224   -0.000005385    0.000001834
    109        1           0.000001208   -0.000005785    0.000000826
    110        1          -0.000000032    0.000001620    0.000000072
    111        1          -0.000000244    0.000001403   -0.000000651
    112        1           0.000001756   -0.000000090    0.000000216
    113       17          -0.000003939    0.000019306    0.000045375
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000071171 RMS     0.000012094

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000319302 RMS     0.000018131
 Search for a local minimum.
 Step number  50 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50
 DE= -7.97D-07 DEPred=-6.22D-07 R= 1.28D+00
 Trust test= 1.28D+00 RLast= 1.11D-02 DXMaxT set to 2.26D-01
 ITU=  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1  1
 ITU=  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1  1
 ITU= -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00074   0.00347   0.00441   0.00534   0.00615
     Eigenvalues ---    0.00733   0.01235   0.01623   0.01823   0.02059
     Eigenvalues ---    0.02379   0.02485   0.02493   0.02544   0.02556
     Eigenvalues ---    0.02585   0.02600   0.02610   0.02636   0.02679
     Eigenvalues ---    0.02681   0.02698   0.02703   0.02710   0.02715
     Eigenvalues ---    0.02741   0.02750   0.02770   0.02782   0.02792
     Eigenvalues ---    0.02801   0.02803   0.02807   0.02813   0.02815
     Eigenvalues ---    0.02824   0.02837   0.02850   0.02852   0.02865
     Eigenvalues ---    0.02872   0.02875   0.02887   0.02895   0.02899
     Eigenvalues ---    0.02902   0.02906   0.02910   0.02913   0.02917
     Eigenvalues ---    0.02920   0.02929   0.02931   0.02943   0.02944
     Eigenvalues ---    0.02948   0.02950   0.02951   0.02954   0.02956
     Eigenvalues ---    0.02959   0.02962   0.02965   0.02971   0.02975
     Eigenvalues ---    0.02983   0.02990   0.02991   0.02994   0.03000
     Eigenvalues ---    0.03003   0.03019   0.03025   0.03036   0.03052
     Eigenvalues ---    0.03058   0.03062   0.03065   0.03079   0.03084
     Eigenvalues ---    0.03092   0.03113   0.03119   0.03124   0.03139
     Eigenvalues ---    0.03159   0.03164   0.03174   0.03177   0.03202
     Eigenvalues ---    0.03219   0.03224   0.03238   0.03246   0.03284
     Eigenvalues ---    0.03365   0.03553   0.03758   0.05024   0.05129
     Eigenvalues ---    0.05462   0.05553   0.05742   0.05864   0.05910
     Eigenvalues ---    0.05985   0.06167   0.06452   0.08974   0.10030
     Eigenvalues ---    0.11805   0.12183   0.13443   0.13887   0.14140
     Eigenvalues ---    0.15163   0.15686   0.15910   0.15922   0.15963
     Eigenvalues ---    0.15984   0.15989   0.15994   0.15995   0.15996
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16017   0.16020   0.16027   0.16054
     Eigenvalues ---    0.16081   0.16095   0.16167   0.16204   0.18048
     Eigenvalues ---    0.19962   0.20088   0.20549   0.21762   0.21993
     Eigenvalues ---    0.21998   0.22000   0.22000   0.22006   0.22082
     Eigenvalues ---    0.22340   0.22442   0.22453   0.22540   0.22594
     Eigenvalues ---    0.22600   0.22613   0.22640   0.22664   0.22746
     Eigenvalues ---    0.23152   0.23441   0.23468   0.23786   0.24037
     Eigenvalues ---    0.24211   0.24414   0.24475   0.24492   0.24507
     Eigenvalues ---    0.24521   0.24532   0.24673   0.24746   0.24809
     Eigenvalues ---    0.24912   0.24972   0.24976   0.24979   0.24984
     Eigenvalues ---    0.24986   0.24988   0.25001   0.25042   0.25125
     Eigenvalues ---    0.25186   0.25525   0.25862   0.26523   0.27052
     Eigenvalues ---    0.27144   0.27896   0.28543   0.28744   0.28835
     Eigenvalues ---    0.28855   0.29285   0.29350   0.29648   0.30066
     Eigenvalues ---    0.30418   0.30645   0.30706   0.30821   0.30999
     Eigenvalues ---    0.31075   0.31140   0.31260   0.31390   0.31473
     Eigenvalues ---    0.31558   0.31678   0.32134   0.32232   0.32478
     Eigenvalues ---    0.33134   0.33403   0.33536   0.33946   0.33990
     Eigenvalues ---    0.34314   0.34495   0.34668   0.34860   0.34938
     Eigenvalues ---    0.35150   0.35271   0.35345   0.35591   0.35700
     Eigenvalues ---    0.36389   0.36776   0.37162   0.37309   0.38126
     Eigenvalues ---    0.39011   0.41068   0.41538   0.42043   0.42738
     Eigenvalues ---    0.42997   0.43428   0.43799   0.45131   0.45615
     Eigenvalues ---    0.46463   0.47093   0.47114   0.47214   0.47376
     Eigenvalues ---    0.47771   0.48287   0.49635   0.49907   0.50394
     Eigenvalues ---    0.50580   0.50833   0.51300   0.51716   0.52067
     Eigenvalues ---    0.52122   0.52293   0.52645   0.53102   0.53240
     Eigenvalues ---    0.53373   0.53790   0.54288   0.54348   0.54675
     Eigenvalues ---    0.55072   0.55348   0.55613   0.55699   0.55980
     Eigenvalues ---    0.56139   0.56186   0.56462   0.56604   0.56735
     Eigenvalues ---    0.56933   0.57155   0.57448   0.57891   0.58233
     Eigenvalues ---    0.58287   0.58302   0.58348   0.58504   0.58669
     Eigenvalues ---    0.58910   0.58978   0.59427   0.59696   0.59805
     Eigenvalues ---    0.60043   0.60548   0.60881   0.61397   0.62007
     Eigenvalues ---    0.63223   0.63447   0.64191   0.64838   0.65125
     Eigenvalues ---    0.65788   0.66681   0.67772   0.68858   0.72048
     Eigenvalues ---    0.72732   0.74520   0.76735   0.80864   0.81113
     Eigenvalues ---    0.85272   1.34335   5.75764
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    50   49   48   47   46   45   44   43   42   41
 RFO step:  Lambda=-5.57604456D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 RFO-DIIS uses    6 points instead of   10
 DidBck=T Rises=F RFO-DIIS coefs:    0.75088    0.65069   -0.56601   -0.02008    0.14245
                  RFO-DIIS coefs:    0.04206    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00105550 RMS(Int)=  0.00000051
 Iteration  2 RMS(Cart)=  0.00000121 RMS(Int)=  0.00000015
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000015
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63963   0.00001   0.00001   0.00000   0.00001   2.63964
    R2        2.65439  -0.00000   0.00000  -0.00001  -0.00001   2.65438
    R3        2.67519  -0.00000   0.00000   0.00000   0.00000   2.67519
    R4        2.64598  -0.00000  -0.00001   0.00001  -0.00000   2.64597
    R5        2.04661  -0.00000  -0.00000   0.00000  -0.00000   2.04661
    R6        2.66487   0.00001   0.00000   0.00000   0.00000   2.66487
    R7        2.78810   0.00002   0.00003  -0.00001   0.00002   2.78812
    R8        2.64810  -0.00000   0.00001  -0.00002  -0.00000   2.64809
    R9        2.78029   0.00001  -0.00003   0.00005   0.00002   2.78031
   R10        2.62092   0.00000   0.00001   0.00001   0.00001   2.62093
   R11        2.04808   0.00000   0.00000   0.00000   0.00000   2.04808
   R12        2.04881   0.00000  -0.00000   0.00000  -0.00000   2.04881
   R13        2.67763  -0.00000  -0.00002   0.00000  -0.00002   2.67761
   R14        2.64538   0.00000  -0.00001   0.00001   0.00001   2.64539
   R15        2.83559   0.00004   0.00029  -0.00004   0.00026   2.83584
   R16        2.64676  -0.00001  -0.00005   0.00000  -0.00005   2.64672
   R17        2.84273   0.00004   0.00017   0.00006   0.00023   2.84296
   R18        2.69253   0.00005   0.00033   0.00001   0.00034   2.69287
   R19        2.43408  -0.00003  -0.00003  -0.00003  -0.00006   2.43402
   R20        2.63760   0.00000   0.00001  -0.00001   0.00000   2.63760
   R21        2.04597  -0.00000   0.00000  -0.00000   0.00000   2.04597
   R22        2.64433  -0.00000  -0.00003   0.00001  -0.00002   2.64431
   R23        2.67483   0.00000   0.00004  -0.00000   0.00003   2.67486
   R24        2.62370   0.00000   0.00004  -0.00001   0.00003   2.62373
   R25        2.04859   0.00000   0.00000  -0.00000   0.00000   2.04859
   R26        2.04114   0.00000   0.00000  -0.00001  -0.00000   2.04113
   R27        2.69794   0.00000   0.00001   0.00003   0.00003   2.69797
   R28        3.33231  -0.00000  -0.00023  -0.00001  -0.00024   3.33207
   R29        2.67206  -0.00001  -0.00000  -0.00002  -0.00003   2.67203
   R30        2.65346  -0.00000  -0.00002   0.00001  -0.00001   2.65344
   R31        2.61451   0.00005  -0.00003   0.00009   0.00007   2.61457
   R32        2.65237  -0.00001  -0.00001  -0.00003  -0.00004   2.65233
   R33        2.62553   0.00000   0.00003   0.00001   0.00004   2.62557
   R34        2.03734   0.00000   0.00001  -0.00001  -0.00000   2.03734
   R35        2.65091  -0.00001  -0.00003  -0.00001  -0.00005   2.65087
   R36        2.04946   0.00000   0.00000  -0.00000   0.00000   2.04946
   R37        2.62498   0.00001   0.00001   0.00001   0.00002   2.62501
   R38        2.67980  -0.00000   0.00004   0.00000   0.00004   2.67983
   R39        2.04790  -0.00000   0.00001  -0.00000   0.00000   2.04790
   R40        2.65159   0.00000  -0.00000  -0.00000  -0.00000   2.65159
   R41        2.65180   0.00000   0.00001  -0.00001  -0.00000   2.65180
   R42        2.65027   0.00000  -0.00002   0.00000  -0.00001   2.65026
   R43        2.64965   0.00000  -0.00003   0.00001  -0.00002   2.64963
   R44        2.64730  -0.00001  -0.00001  -0.00002  -0.00003   2.64727
   R45        2.64596   0.00000  -0.00002   0.00001  -0.00002   2.64594
   R46        2.67830   0.00000   0.00000   0.00000   0.00001   2.67830
   R47        2.64059   0.00000  -0.00000   0.00000  -0.00000   2.64059
   R48        2.73714  -0.00000   0.00000  -0.00000   0.00000   2.73715
   R49        2.64480  -0.00000   0.00000  -0.00000   0.00000   2.64480
   R50        2.67935   0.00000   0.00001  -0.00000   0.00000   2.67936
   R51        2.64458  -0.00000   0.00000  -0.00000   0.00000   2.64458
   R52        2.64148  -0.00000   0.00001  -0.00001   0.00000   2.64148
   R53        2.67846  -0.00000   0.00000  -0.00000   0.00000   2.67846
   R54        2.64101   0.00000   0.00000  -0.00000  -0.00000   2.64101
   R55        2.73665  -0.00000   0.00001  -0.00000   0.00000   2.73665
   R56        2.64453   0.00000  -0.00000   0.00000   0.00000   2.64453
   R57        2.67870  -0.00000  -0.00000   0.00000   0.00000   2.67870
   R58        2.64457   0.00000  -0.00000   0.00000  -0.00000   2.64456
   R59        2.64122   0.00000  -0.00000   0.00000  -0.00000   2.64121
   R60        2.67968   0.00000   0.00000   0.00001   0.00001   2.67969
   R61        2.64063   0.00000  -0.00000   0.00000   0.00000   2.64063
   R62        2.73662  -0.00000   0.00000  -0.00000  -0.00000   2.73662
   R63        2.64506   0.00000   0.00000  -0.00000   0.00000   2.64507
   R64        2.67995   0.00000   0.00001  -0.00000   0.00001   2.67996
   R65        2.64485   0.00000   0.00000   0.00000   0.00000   2.64486
   R66        2.64101   0.00000   0.00000  -0.00000  -0.00000   2.64101
   R67        2.62990   0.00000  -0.00000   0.00000   0.00000   2.62990
   R68        2.05259   0.00000   0.00000  -0.00000   0.00000   2.05259
   R69        2.65486  -0.00000   0.00001  -0.00000   0.00000   2.65486
   R70        2.05138   0.00000   0.00000   0.00000   0.00000   2.05138
   R71        2.63353   0.00000  -0.00000   0.00000  -0.00000   2.63353
   R72        2.05241   0.00000  -0.00000   0.00000  -0.00000   2.05241
   R73        2.04891  -0.00000   0.00000  -0.00000   0.00000   2.04891
   R74        2.63283   0.00000   0.00000   0.00000   0.00000   2.63284
   R75        2.04901   0.00000   0.00000   0.00000   0.00000   2.04901
   R76        2.65525  -0.00000   0.00000  -0.00000   0.00000   2.65525
   R77        2.05214   0.00000   0.00000  -0.00000   0.00000   2.05214
   R78        2.62964  -0.00000   0.00000   0.00000   0.00000   2.62964
   R79        2.05144   0.00000   0.00000   0.00000   0.00000   2.05144
   R80        2.05263   0.00000   0.00000   0.00000   0.00000   2.05263
   R81        2.62977  -0.00000   0.00000  -0.00000   0.00000   2.62977
   R82        2.05265   0.00000  -0.00000   0.00000  -0.00000   2.05265
   R83        2.65442   0.00000  -0.00000   0.00000   0.00000   2.65442
   R84        2.05138   0.00000  -0.00000   0.00000  -0.00000   2.05138
   R85        2.63277  -0.00000   0.00000  -0.00000   0.00000   2.63277
   R86        2.05208   0.00000  -0.00000  -0.00000  -0.00000   2.05208
   R87        2.04830   0.00000  -0.00000   0.00000   0.00000   2.04830
   R88        2.63288   0.00000   0.00000  -0.00000   0.00000   2.63288
   R89        2.04848   0.00000  -0.00000   0.00000   0.00000   2.04848
   R90        2.65473  -0.00000   0.00000  -0.00000   0.00000   2.65473
   R91        2.05213   0.00000   0.00000   0.00000   0.00000   2.05213
   R92        2.62955  -0.00000  -0.00000   0.00000   0.00000   2.62955
   R93        2.05144   0.00000  -0.00000   0.00000  -0.00000   2.05144
   R94        2.05264   0.00000   0.00000   0.00000   0.00000   2.05264
   R95        2.62989   0.00000  -0.00000   0.00000   0.00000   2.62989
   R96        2.05272   0.00000   0.00000   0.00000   0.00000   2.05272
   R97        2.65532  -0.00000   0.00001  -0.00000   0.00001   2.65533
   R98        2.05146   0.00000  -0.00000   0.00000   0.00000   2.05146
   R99        2.63277   0.00000  -0.00000   0.00000  -0.00000   2.63277
   R100       2.05232   0.00000  -0.00000   0.00000   0.00000   2.05232
   R101       2.04924  -0.00000   0.00000   0.00000   0.00000   2.04924
   R102       2.63262   0.00000  -0.00000   0.00000  -0.00000   2.63262
   R103       2.04901  -0.00000   0.00000  -0.00000   0.00000   2.04902
   R104       2.65547   0.00000   0.00000  -0.00000   0.00000   2.65548
   R105       2.05223   0.00000   0.00000   0.00000   0.00000   2.05224
   R106       2.62960   0.00000   0.00000   0.00000   0.00000   2.62961
   R107       2.05146  -0.00000   0.00000   0.00000   0.00000   2.05147
   R108       2.05274   0.00000   0.00000   0.00000   0.00000   2.05274
   R109       2.78656   0.00000   0.00004  -0.00001   0.00003   2.78659
   R110       3.02664   0.00004   0.00002   0.00003   0.00005   3.02669
   R111       3.04083   0.00001   0.00002  -0.00000   0.00002   3.04085
   R112       2.77194   0.00002   0.00015  -0.00017  -0.00003   2.77192
   R113       2.76025  -0.00002   0.00015  -0.00012   0.00003   2.76028
   R114       2.86328   0.00000  -0.00005   0.00004  -0.00001   2.86327
   R115       2.06237   0.00001   0.00003  -0.00001   0.00002   2.06239
   R116       2.06662   0.00000  -0.00002   0.00002   0.00001   2.06662
   R117       2.06945  -0.00000   0.00001  -0.00000   0.00001   2.06945
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   R119       2.06424  -0.00000  -0.00002   0.00001  -0.00001   2.06423
   R120       2.86900   0.00000  -0.00003   0.00002  -0.00000   2.86900
   R121       2.06465   0.00000  -0.00001   0.00001  -0.00000   2.06465
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   R125       2.06695  -0.00000  -0.00001   0.00000  -0.00001   2.06694
   R126       5.64684  -0.00001   0.00501   0.00036   0.00537   5.65221
    A1        2.08897  -0.00000   0.00000   0.00001   0.00001   2.08898
    A2        2.09436   0.00000  -0.00000  -0.00000  -0.00001   2.09436
    A3        2.09982   0.00000   0.00000  -0.00001  -0.00000   2.09982
    A4        2.11042   0.00000  -0.00000  -0.00000  -0.00000   2.11041
    A5        2.06980  -0.00000   0.00001   0.00000   0.00001   2.06981
    A6        2.10272  -0.00000  -0.00001  -0.00000  -0.00001   2.10272
    A7        2.07591  -0.00000   0.00001  -0.00001  -0.00000   2.07590
    A8        2.14188  -0.00000  -0.00001   0.00002   0.00002   2.14190
    A9        2.06169   0.00000  -0.00001  -0.00001  -0.00001   2.06168
   A10        2.09066   0.00000  -0.00001   0.00002   0.00001   2.09067
   A11        2.09518   0.00000  -0.00000  -0.00002  -0.00002   2.09516
   A12        2.09696  -0.00000   0.00002  -0.00001   0.00001   2.09697
   A13        2.10800   0.00000   0.00000  -0.00001  -0.00001   2.10800
   A14        2.06724  -0.00000  -0.00000   0.00001   0.00001   2.06725
   A15        2.10794  -0.00000  -0.00000   0.00000  -0.00000   2.10794
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   A17        2.08869   0.00000   0.00001  -0.00001   0.00000   2.08869
   A18        2.10436  -0.00000  -0.00000   0.00001   0.00000   2.10436
   A19        2.09615   0.00000  -0.00000   0.00000   0.00000   2.09615
   A20        2.10163   0.00000   0.00000  -0.00000  -0.00000   2.10163
   A21        2.07940  -0.00000  -0.00000   0.00000  -0.00000   2.07940
   A22        2.06993  -0.00000  -0.00007   0.00003  -0.00004   2.06989
   A23        2.06972   0.00000   0.00004  -0.00001   0.00003   2.06975
   A24        2.13913  -0.00000   0.00005  -0.00002   0.00003   2.13915
   A25        1.94127  -0.00001  -0.00023  -0.00003  -0.00026   1.94101
   A26        2.05384  -0.00001  -0.00026   0.00003  -0.00023   2.05361
   A27        2.01589  -0.00000  -0.00015  -0.00004  -0.00018   2.01570
   A28        2.02670  -0.00001  -0.00008  -0.00002  -0.00010   2.02661
   A29        2.08348   0.00001   0.00003  -0.00001   0.00001   2.08349
   A30        2.17049   0.00000   0.00005   0.00003   0.00009   2.17058
   A31        2.11874   0.00000  -0.00002   0.00001  -0.00001   2.11873
   A32        2.09596  -0.00000   0.00003  -0.00002   0.00000   2.09597
   A33        2.06790  -0.00000  -0.00001   0.00002   0.00001   2.06791
   A34        2.08017  -0.00000   0.00001  -0.00001   0.00000   2.08017
   A35        2.09901   0.00001  -0.00002   0.00003   0.00000   2.09901
   A36        2.10323  -0.00000   0.00001  -0.00002  -0.00000   2.10323
   A37        2.09171   0.00000   0.00000   0.00001   0.00001   2.09171
   A38        2.09146   0.00000  -0.00000  -0.00001  -0.00001   2.09145
   A39        2.09963  -0.00000   0.00000   0.00000   0.00000   2.09964
   A40        2.12162  -0.00000  -0.00003   0.00001  -0.00002   2.12160
   A41        2.10012  -0.00000   0.00002  -0.00000   0.00001   2.10014
   A42        2.05996   0.00000   0.00001  -0.00001   0.00001   2.05997
   A43        2.08173  -0.00001  -0.00001   0.00003   0.00002   2.08175
   A44        2.05672   0.00005  -0.00003   0.00005   0.00002   2.05674
   A45        2.08296  -0.00003   0.00005   0.00000   0.00006   2.08302
   A46        2.07672   0.00001   0.00005   0.00001   0.00005   2.07677
   A47        2.14958  -0.00001  -0.00009   0.00004  -0.00005   2.14953
   A48        2.05610  -0.00000   0.00004  -0.00004  -0.00000   2.05609
   A49        2.14127   0.00000   0.00000  -0.00001  -0.00001   2.14126
   A50        2.10445   0.00000  -0.00004   0.00005   0.00001   2.10446
   A51        2.03724  -0.00001   0.00004  -0.00004  -0.00000   2.03724
   A52        2.07847  -0.00000   0.00004  -0.00002   0.00002   2.07849
   A53        2.11211   0.00000  -0.00000   0.00001   0.00001   2.11212
   A54        2.10618  -0.00000  -0.00002   0.00004   0.00001   2.10619
   A55        2.06488  -0.00000   0.00002  -0.00005  -0.00002   2.06486
   A56        2.11417   0.00000  -0.00003   0.00001  -0.00002   2.11415
   A57        2.08331  -0.00000   0.00003  -0.00001   0.00002   2.08334
   A58        2.08570  -0.00000   0.00000  -0.00000   0.00000   2.08570
   A59        2.06742  -0.00000   0.00003  -0.00001   0.00002   2.06744
   A60        2.10522   0.00000   0.00001  -0.00000   0.00001   2.10522
   A61        2.11055   0.00000  -0.00004   0.00001  -0.00002   2.11053
   A62        2.11171   0.00000   0.00001  -0.00001  -0.00001   2.11170
   A63        2.05181  -0.00000   0.00003   0.00002   0.00004   2.05186
   A64        2.11963   0.00000  -0.00003  -0.00001  -0.00004   2.11960
   A65        2.19605   0.00000  -0.00000   0.00001   0.00000   2.19605
   A66        2.19698   0.00000   0.00000  -0.00001  -0.00000   2.19697
   A67        1.89016  -0.00000   0.00000   0.00000   0.00000   1.89016
   A68        2.19114  -0.00000  -0.00000  -0.00000  -0.00001   2.19113
   A69        2.20053   0.00000  -0.00001   0.00000  -0.00000   2.20053
   A70        1.89145  -0.00000   0.00001  -0.00000   0.00001   1.89146
   A71        2.19615   0.00000  -0.00001   0.00001  -0.00000   2.19615
   A72        2.19515  -0.00000   0.00001  -0.00001  -0.00000   2.19514
   A73        1.89181  -0.00000   0.00000   0.00000   0.00001   1.89182
   A74        1.90048   0.00000   0.00000  -0.00000  -0.00000   1.90048
   A75        2.25864   0.00000  -0.00001   0.00001  -0.00000   2.25864
   A76        2.12345  -0.00000   0.00001  -0.00001   0.00001   2.12346
   A77        1.86631   0.00000  -0.00000   0.00000  -0.00000   1.86630
   A78        2.08601   0.00000  -0.00001   0.00000  -0.00001   2.08600
   A79        2.33080  -0.00000   0.00001  -0.00000   0.00001   2.33081
   A80        1.86645   0.00000  -0.00001   0.00000  -0.00001   1.86645
   A81        2.33012  -0.00000   0.00001  -0.00000   0.00001   2.33013
   A82        2.08652   0.00000  -0.00000  -0.00000  -0.00000   2.08651
   A83        1.90009   0.00000   0.00000   0.00000   0.00000   1.90009
   A84        2.26158   0.00000  -0.00000  -0.00000  -0.00001   2.26157
   A85        2.12072  -0.00000   0.00000   0.00000   0.00000   2.12072
   A86        1.90068  -0.00000  -0.00000  -0.00000  -0.00000   1.90068
   A87        2.26094   0.00000   0.00001  -0.00001   0.00000   2.26094
   A88        2.12082  -0.00000  -0.00001   0.00001   0.00000   2.12082
   A89        1.86674   0.00000  -0.00000   0.00000  -0.00000   1.86674
   A90        2.08731   0.00000   0.00001  -0.00001  -0.00000   2.08731
   A91        2.32902  -0.00000  -0.00001   0.00001   0.00000   2.32902
   A92        1.86659   0.00000   0.00000  -0.00000  -0.00000   1.86659
   A93        2.32908  -0.00000   0.00000   0.00000   0.00000   2.32908
   A94        2.08748   0.00000  -0.00000   0.00000  -0.00000   2.08747
   A95        1.90061   0.00000  -0.00000   0.00000  -0.00000   1.90061
   A96        2.26297  -0.00000  -0.00000  -0.00000  -0.00001   2.26297
   A97        2.11905  -0.00000   0.00001  -0.00000   0.00001   2.11905
   A98        1.90083   0.00000   0.00000   0.00000   0.00001   1.90084
   A99        2.25946  -0.00000  -0.00001  -0.00000  -0.00001   2.25945
   A100       2.12254  -0.00000   0.00001  -0.00000   0.00001   2.12254
   A101       1.86558  -0.00000  -0.00001  -0.00000  -0.00001   1.86557
   A102       2.08577   0.00000  -0.00001  -0.00000  -0.00001   2.08576
   A103       2.33179   0.00000   0.00001   0.00000   0.00002   2.33181
   A104       1.86527  -0.00000  -0.00000   0.00000  -0.00000   1.86527
   A105       2.33220   0.00000   0.00000   0.00001   0.00001   2.33221
   A106       2.08566   0.00000   0.00000  -0.00001  -0.00001   2.08565
   A107       1.90128  -0.00000   0.00000  -0.00000  -0.00000   1.90128
   A108       2.25936   0.00000   0.00000  -0.00000  -0.00000   2.25935
   A109       2.12213  -0.00000  -0.00000   0.00001   0.00001   2.12214
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   A119       2.05536   0.00000  -0.00000   0.00000  -0.00000   2.05536
   A120       2.11881   0.00000  -0.00001   0.00000  -0.00000   2.11880
   A121       2.10892  -0.00000   0.00001  -0.00000   0.00001   2.10893
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   A123       2.11907   0.00000  -0.00000   0.00000  -0.00000   2.11907
   A124       2.11119  -0.00000   0.00001  -0.00000   0.00001   2.11120
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   A126       2.07761  -0.00000   0.00000  -0.00000   0.00000   2.07761
   A127       2.08530  -0.00000   0.00000   0.00000   0.00000   2.08530
   A128       2.10454  -0.00000   0.00000  -0.00000   0.00000   2.10454
   A129       2.08709   0.00000  -0.00000   0.00000  -0.00000   2.08709
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   A131       2.07903   0.00000   0.00000   0.00000   0.00000   2.07903
   A132       2.10059  -0.00000  -0.00000   0.00000   0.00000   2.10059
   A133       2.10355   0.00000   0.00000  -0.00000  -0.00000   2.10354
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   A136       2.10330   0.00000  -0.00000   0.00000  -0.00000   2.10329
   A137       2.10350  -0.00000   0.00000  -0.00000   0.00000   2.10350
   A138       2.09212   0.00000  -0.00000   0.00000  -0.00000   2.09211
   A139       2.08757  -0.00000  -0.00000   0.00000  -0.00000   2.08757
   A140       2.11899   0.00000  -0.00000   0.00000  -0.00000   2.11899
   A141       2.08807  -0.00000   0.00001  -0.00001  -0.00000   2.08807
   A142       2.07612   0.00000  -0.00000   0.00000   0.00000   2.07612
   A143       2.05687  -0.00000  -0.00000  -0.00000  -0.00000   2.05687
   A144       2.12032  -0.00000   0.00000  -0.00000   0.00000   2.12032
   A145       2.10597   0.00000  -0.00000   0.00001   0.00000   2.10598
   A146       2.05466   0.00000   0.00000  -0.00000  -0.00000   2.05465
   A147       2.11952   0.00000   0.00000  -0.00000  -0.00000   2.11952
   A148       2.10896  -0.00000  -0.00000   0.00000   0.00000   2.10896
   A149       2.12011  -0.00000   0.00000  -0.00000  -0.00000   2.12011
   A150       2.07748  -0.00000  -0.00000   0.00000   0.00000   2.07748
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   A152       2.10374  -0.00000  -0.00000   0.00000   0.00000   2.10374
   A153       2.08743   0.00000  -0.00000   0.00000  -0.00000   2.08742
   A154       2.09199   0.00000   0.00001  -0.00000   0.00000   2.09199
   A155       2.07946   0.00000  -0.00000   0.00000  -0.00000   2.07946
   A156       2.10013  -0.00000  -0.00000   0.00000  -0.00000   2.10013
   A157       2.10358  -0.00000   0.00001  -0.00000   0.00000   2.10358
   A158       2.08001   0.00000  -0.00000   0.00000   0.00000   2.08001
   A159       2.10021   0.00000  -0.00000   0.00000  -0.00000   2.10021
   A160       2.10296  -0.00000   0.00000  -0.00000  -0.00000   2.10296
   A161       2.10434   0.00000  -0.00000   0.00000   0.00000   2.10434
   A162       2.09173  -0.00000   0.00000  -0.00000   0.00000   2.09174
   A163       2.08710   0.00000  -0.00000  -0.00000  -0.00000   2.08709
   A164       2.11951   0.00000   0.00000  -0.00000   0.00000   2.11951
   A165       2.08513  -0.00000  -0.00000   0.00000  -0.00000   2.08513
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   A167       2.05457   0.00000  -0.00000  -0.00000  -0.00000   2.05457
   A168       2.11743  -0.00000  -0.00001  -0.00000  -0.00001   2.11742
   A169       2.11115  -0.00000   0.00001   0.00000   0.00001   2.11116
   A170       2.05407   0.00000  -0.00000   0.00000  -0.00000   2.05407
   A171       2.11784  -0.00000  -0.00001  -0.00000  -0.00001   2.11783
   A172       2.11127   0.00000   0.00001  -0.00000   0.00001   2.11128
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   A174       2.07812   0.00000   0.00000   0.00000   0.00000   2.07813
   A175       2.08520  -0.00000  -0.00000  -0.00000  -0.00000   2.08519
   A176       2.10437  -0.00000   0.00000   0.00000   0.00000   2.10437
   A177       2.08705   0.00000  -0.00000  -0.00000  -0.00000   2.08705
   A178       2.09176   0.00000  -0.00000  -0.00000  -0.00000   2.09176
   A179       2.07965   0.00000   0.00000   0.00000   0.00000   2.07965
   A180       2.10035  -0.00000   0.00000   0.00000   0.00000   2.10035
   A181       2.10318  -0.00000  -0.00000  -0.00000  -0.00000   2.10318
   A182       2.01354   0.00002  -0.00013   0.00006  -0.00006   2.01348
   A183       1.84496   0.00008   0.00027  -0.00007   0.00020   1.84515
   A184       1.71829  -0.00006   0.00010  -0.00000   0.00010   1.71838
   A185       2.02519  -0.00000  -0.00009   0.00002  -0.00007   2.02512
   A186       2.04036   0.00001  -0.00002   0.00003   0.00001   2.04037
   A187       1.78127  -0.00005  -0.00008  -0.00006  -0.00015   1.78112
   A188       2.12619   0.00032  -0.00002   0.00013   0.00010   2.12629
   A189       2.08010   0.00001  -0.00005   0.00010   0.00005   2.08015
   A190       1.90987  -0.00001   0.00019   0.00002   0.00021   1.91007
   A191       1.90284   0.00010  -0.00013   0.00011  -0.00002   1.90281
   A192       1.83748  -0.00005  -0.00025   0.00010  -0.00015   1.83733
   A193       1.95647  -0.00004   0.00013   0.00001   0.00014   1.95661
   A194       1.95086   0.00002   0.00002  -0.00011  -0.00009   1.95077
   A195       1.90210  -0.00003   0.00001  -0.00011  -0.00010   1.90200
   A196       1.90701  -0.00000  -0.00002  -0.00002  -0.00004   1.90697
   A197       1.93833  -0.00001   0.00006  -0.00012  -0.00006   1.93828
   A198       1.93174   0.00001   0.00001   0.00009   0.00010   1.93184
   A199       1.89149   0.00000  -0.00000  -0.00001  -0.00001   1.89148
   A200       1.88902   0.00000  -0.00008   0.00007  -0.00001   1.88901
   A201       1.90515  -0.00000   0.00003  -0.00001   0.00001   1.90517
   A202       1.94363  -0.00000  -0.00005  -0.00003  -0.00009   1.94355
   A203       1.82328   0.00001  -0.00001   0.00005   0.00004   1.82332
   A204       1.90510   0.00000  -0.00005   0.00008   0.00003   1.90513
   A205       1.94893  -0.00000   0.00004  -0.00000   0.00004   1.94897
   A206       1.95146  -0.00000  -0.00002  -0.00003  -0.00005   1.95141
   A207       1.88617  -0.00000   0.00010  -0.00006   0.00004   1.88621
   A208       1.91187  -0.00000  -0.00001   0.00003   0.00003   1.91189
   A209       1.93215  -0.00000   0.00002  -0.00007  -0.00005   1.93210
   A210       1.93101  -0.00000  -0.00000   0.00001   0.00001   1.93102
   A211       1.89876   0.00000  -0.00001  -0.00002  -0.00003   1.89873
   A212       1.88801   0.00000   0.00001   0.00000   0.00001   1.88802
   A213       1.90120   0.00000  -0.00000   0.00004   0.00004   1.90124
   A214       2.06874   0.00012  -0.00228   0.00017  -0.00211   2.06663
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    D2        3.11614   0.00000  -0.00007   0.00005  -0.00003   3.11611
    D3        3.13255   0.00000  -0.00005   0.00003  -0.00002   3.13253
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    D5       -0.03726  -0.00000   0.00000   0.00002   0.00003  -0.03724
    D6        3.10802  -0.00000  -0.00002   0.00004   0.00002   3.10803
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   D230       0.00725  -0.00000   0.00003  -0.00003  -0.00000   0.00725
   D231      -0.01095  -0.00000   0.00002   0.00001   0.00003  -0.01092
   D232       3.12198   0.00000  -0.00001   0.00004   0.00003   3.12202
   D233       3.13935   0.00000  -0.00002   0.00002   0.00000   3.13935
   D234      -0.01090   0.00000  -0.00005   0.00005   0.00000  -0.01090
   D235      -0.00593   0.00000  -0.00002   0.00001  -0.00001  -0.00594
   D236       3.12135  -0.00000   0.00005   0.00001   0.00006   3.12142
   D237      -3.13889   0.00000   0.00001  -0.00003  -0.00002  -3.13891
   D238      -0.01161  -0.00000   0.00008  -0.00002   0.00006  -0.01156
   D239      -0.00573   0.00000   0.00001   0.00000   0.00001  -0.00573
   D240       3.14125   0.00000  -0.00001   0.00001  -0.00000   3.14125
   D241       3.12531  -0.00000   0.00003  -0.00002   0.00001   3.12533
   D242      -0.01089  -0.00000   0.00002  -0.00002   0.00000  -0.01088
   D243      -0.00826  -0.00000   0.00001  -0.00000   0.00001  -0.00825
   D244       3.14048  -0.00000   0.00001  -0.00001   0.00001   3.14049
   D245       3.12791  -0.00000   0.00002  -0.00001   0.00002   3.12793
   D246      -0.00653  -0.00000   0.00003  -0.00001   0.00001  -0.00651
   D247       0.00786   0.00000  -0.00001   0.00000  -0.00001   0.00785
   D248      -3.12766   0.00000  -0.00005   0.00002  -0.00003  -3.12769
   D249      -3.14090   0.00000  -0.00001   0.00001  -0.00001  -3.14091
   D250       0.00676   0.00000  -0.00005   0.00002  -0.00003   0.00673
   D251      -0.00957  -0.00000   0.00000  -0.00000  -0.00000  -0.00957
   D252       3.13595  -0.00000   0.00002  -0.00001   0.00001   3.13596
   D253       3.12889  -0.00000  -0.00000  -0.00000  -0.00000   3.12889
   D254      -0.00878  -0.00000   0.00002  -0.00001   0.00001  -0.00877
   D255       0.00750  -0.00000  -0.00000   0.00001   0.00000   0.00751
   D256      -3.13692   0.00000  -0.00005   0.00005   0.00000  -3.13692
   D257      -3.13800   0.00000  -0.00003   0.00002  -0.00001  -3.13801
   D258       0.00076   0.00000  -0.00007   0.00006  -0.00001   0.00075
   D259       0.00875   0.00000  -0.00002   0.00001  -0.00001   0.00874
   D260      -3.12599   0.00000   0.00001   0.00001   0.00002  -3.12598
   D261      -3.13004   0.00000   0.00003  -0.00004  -0.00001  -3.13005
   D262       0.01841  -0.00000   0.00005  -0.00004   0.00002   0.01843
   D263       0.00634   0.00000  -0.00000   0.00001   0.00001   0.00635
   D264      -3.14021   0.00000  -0.00000   0.00000   0.00000  -3.14021
   D265      -3.12415   0.00000   0.00002  -0.00001   0.00001  -3.12413
   D266       0.01249   0.00000   0.00002  -0.00001   0.00001   0.01250
   D267       0.00964   0.00000   0.00001  -0.00000   0.00000   0.00965
   D268      -3.13967   0.00000   0.00001   0.00001   0.00002  -3.13965
   D269      -3.12697   0.00000   0.00001  -0.00000   0.00001  -3.12696
   D270       0.00690   0.00000   0.00001   0.00001   0.00002   0.00692
   D271      -0.00906  -0.00000  -0.00000   0.00000  -0.00000  -0.00906
   D272       3.12592  -0.00000  -0.00001  -0.00000  -0.00001   3.12591
   D273       3.14027  -0.00000  -0.00001  -0.00001  -0.00002   3.14025
   D274      -0.00793  -0.00000  -0.00002  -0.00001  -0.00003  -0.00796
   D275       0.00665  -0.00000  -0.00001  -0.00000  -0.00001   0.00664
   D276      -3.14072   0.00000  -0.00002   0.00001  -0.00001  -3.14072
   D277      -3.12979   0.00000   0.00000   0.00000   0.00000  -3.12978
   D278       0.00603   0.00000  -0.00001   0.00002   0.00001   0.00604
   D279      -0.00708  -0.00000   0.00001  -0.00000   0.00000  -0.00708
   D280       3.13018  -0.00000   0.00002  -0.00000   0.00002   3.13020
   D281       3.14027  -0.00000   0.00002  -0.00002  -0.00000   3.14027
   D282      -0.00565  -0.00000   0.00003  -0.00002   0.00001  -0.00564
   D283      -0.00474   0.00000   0.00001   0.00000   0.00001  -0.00473
   D284       3.12841   0.00000   0.00002   0.00000   0.00002   3.12843
   D285       3.14116  -0.00000   0.00000   0.00000   0.00000   3.14116
   D286      -0.00888  -0.00000   0.00001   0.00000   0.00001  -0.00886
   D287      -0.00354  -0.00000   0.00001  -0.00001   0.00000  -0.00353
   D288       3.13952  -0.00000  -0.00001   0.00001  -0.00001   3.13952
   D289       3.13437  -0.00000   0.00003  -0.00001   0.00002   3.13439
   D290      -0.00575   0.00000   0.00000   0.00000   0.00001  -0.00575
   D291      -0.00616  -0.00000   0.00002  -0.00000   0.00001  -0.00614
   D292       3.13871   0.00000   0.00003  -0.00001   0.00001   3.13873
   D293       3.13396  -0.00000   0.00004  -0.00002   0.00002   3.13399
   D294      -0.00435  -0.00000   0.00005  -0.00003   0.00002  -0.00433
   D295       0.00521   0.00000  -0.00002   0.00000  -0.00002   0.00519
   D296      -3.13228   0.00000  -0.00002   0.00000  -0.00002  -3.13229
   D297      -3.13967   0.00000  -0.00003   0.00001  -0.00002  -3.13969
   D298       0.00603   0.00000  -0.00003   0.00002  -0.00002   0.00601
   D299       1.78588   0.00010  -0.00036  -0.00028  -0.00064   1.78524
   D300      -0.46993   0.00002  -0.00035  -0.00032  -0.00067  -0.47060
   D301      -2.70860   0.00005  -0.00021  -0.00032  -0.00053  -2.70913
   D302       3.10318   0.00002  -0.00011   0.00030   0.00019   3.10337
   D303      -1.01352   0.00001  -0.00021   0.00039   0.00018  -1.01334
   D304       1.21548  -0.00003  -0.00040   0.00039  -0.00001   1.21547
   D305      -2.14153  -0.00001   0.00275   0.00001   0.00276  -2.13877
   D306       0.00393   0.00001   0.00295   0.00010   0.00305   0.00698
   D307       2.04247   0.00000   0.00277   0.00008   0.00285   2.04531
   D308       1.53886   0.00000  -0.00047   0.00107   0.00060   1.53947
   D309      -2.63798   0.00000  -0.00046   0.00108   0.00063  -2.63736
   D310      -0.62413   0.00000  -0.00037   0.00108   0.00071  -0.62342
   D311      -3.06045   0.00006  -0.00075   0.00070  -0.00006  -3.06051
   D312      -0.97484   0.00005  -0.00073   0.00060  -0.00013  -0.97497
   D313       1.14422   0.00005  -0.00064   0.00056  -0.00008   1.14414
   D314       1.10947  -0.00004  -0.00081   0.00055  -0.00026   1.10921
   D315      -3.08810  -0.00005  -0.00079   0.00046  -0.00033  -3.08843
   D316      -0.96904  -0.00005  -0.00070   0.00042  -0.00028  -0.96932
   D317      -1.03204   0.00001  -0.00093   0.00076  -0.00017  -1.03221
   D318       1.05358   0.00000  -0.00091   0.00067  -0.00024   1.05333
   D319      -3.11055  -0.00000  -0.00082   0.00063  -0.00019  -3.11074
   D320      -1.06791  -0.00009  -0.00207   0.00029  -0.00179  -1.06970
   D321       1.04939  -0.00005  -0.00184   0.00038  -0.00145   1.04794
   D322      -3.06489  -0.00007  -0.00171   0.00017  -0.00154  -3.06643
   D323       3.09444   0.00000  -0.00002   0.00009   0.00007   3.09451
   D324      -1.09486   0.00000  -0.00003   0.00005   0.00002  -1.09484
   D325       1.01457   0.00000  -0.00002   0.00007   0.00004   1.01461
   D326       1.06359  -0.00000   0.00000   0.00005   0.00005   1.06364
   D327      -3.12572  -0.00000  -0.00001   0.00001   0.00000  -3.12571
   D328      -1.01629  -0.00000  -0.00000   0.00002   0.00002  -1.01626
   D329      -1.05225   0.00000  -0.00014   0.00015   0.00001  -1.05224
   D330       1.04163   0.00000  -0.00014   0.00011  -0.00004   1.04160
   D331      -3.13212   0.00000  -0.00014   0.00012  -0.00002  -3.13214
         Item               Value     Threshold  Converged?
 Maximum Force            0.000319     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.007071     0.001800     NO 
 RMS     Displacement     0.001056     0.001200     YES
 Predicted change in Energy=-2.001343D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.595662    3.246059    0.120542
      2          6           0       -2.754376    1.865535    0.262401
      3          6           0       -1.650226    1.005801    0.215073
      4          6           0       -0.359350    1.559252    0.088710
      5          6           0       -0.207899    2.943043   -0.072076
      6          6           0       -1.311725    3.782781   -0.070341
      7          6           0       -1.784200   -0.462976    0.175239
      8          6           0       -0.653474   -1.286108    0.402406
      9          6           0        0.629214   -0.640314    0.837894
     10          6           0        0.825330    0.689982    0.163241
     11          6           0       -2.988486   -1.054178   -0.224551
     12          6           0       -3.082262   -2.427126   -0.457699
     13          6           0       -1.937903   -3.221461   -0.325256
     14          6           0       -0.745176   -2.649958    0.097229
     15          7           0        1.789660   -1.463265    0.920097
     16          6           0        3.038231   -0.958967    0.445652
     17          6           0        3.079242    0.326165   -0.142643
     18          7           0        1.958497    1.128277   -0.264366
     19          6           0        4.230872   -1.698930    0.486624
     20          6           0        5.417606   -1.172077   -0.007836
     21          6           0        5.457589    0.103093   -0.591042
     22          6           0        4.279626    0.835909   -0.661486
     23          7           0       -3.726797    4.096354    0.160532
     24          7           0       -4.309153   -2.998077   -0.872818
     25          7           0        6.674075    0.628555   -1.096097
     26          6           0       -4.944202   -4.093304   -0.269430
     27          6           0       -6.155790   -4.356613   -0.956055
     28          6           0       -6.256747   -3.381679   -2.022486
     29          6           0       -5.103645   -2.560578   -1.942085
     30          6           0       -3.863384    5.244607    0.955340
     31          6           0       -5.135417    5.821386    0.714033
     32          6           0       -5.797704    4.987902   -0.267746
     33          6           0       -4.904407    3.934059   -0.585169
     34          6           0        7.256488    1.848019   -0.727106
     35          6           0        8.473561    2.009382   -1.436684
     36          6           0        8.631673    0.837562   -2.272747
     37          6           0        7.505424    0.008631   -2.036857
     38          6           0       -7.200544   -3.149417   -3.029346
     39          6           0       -6.982287   -2.119786   -3.939845
     40          6           0       -5.823942   -1.328932   -3.859131
     41          6           0       -4.869029   -1.538136   -2.865903
     42          6           0       -4.558019   -4.837277    0.848568
     43          6           0       -5.396843   -5.871969    1.257098
     44          6           0       -6.593266   -6.158150    0.578151
     45          6           0       -6.979842   -5.402270   -0.524392
     46          6           0       -7.044700    5.051123   -0.899764
     47          6           0       -7.381825    4.077148   -1.834809
     48          6           0       -6.478804    3.048663   -2.150789
     49          6           0       -5.230476    2.964781   -1.537880
     50          6           0       -2.981971    5.786383    1.894898
     51          6           0       -3.383136    6.935719    2.572586
     52          6           0       -4.632387    7.531190    2.331101
     53          6           0       -5.513599    6.976127    1.408259
     54          6           0        9.605265    0.432010   -3.192812
     55          6           0        9.443463   -0.776753   -3.863242
     56          6           0        8.314017   -1.578868   -3.627918
     57          6           0        7.330165   -1.199391   -2.717402
     58          6           0        6.816102    2.798698    0.197494
     59          6           0        7.607400    3.928879    0.390690
     60          6           0        8.809989    4.111165   -0.313008
     61          6           0        9.248882    3.155155   -1.223923
     62          8           0        0.479449   -3.051225    2.729190
     63         15           0        1.778680   -2.788564    2.083084
     64          8           0        3.010475   -2.511331    3.068538
     65          8           0        2.364777   -3.944841    1.129732
     66          6           0        2.816828   -1.950887    4.410181
     67          6           0        3.617766   -0.671550    4.542679
     68          6           0        2.592455   -5.277181    1.683456
     69          6           0        1.348305   -6.140603    1.576007
     70          1           0       -3.749290    1.473000    0.432687
     71          1           0        0.792242    3.342041   -0.195125
     72          1           0       -1.192119    4.851036   -0.211684
     73          1           0       -3.864710   -0.440872   -0.392734
     74          1           0       -1.979939   -4.274414   -0.579673
     75          1           0        0.133355   -3.277273    0.133569
     76          1           0        4.248489   -2.690914    0.908502
     77          1           0        6.328532   -1.756589    0.061198
     78          1           0        4.250026    1.815468   -1.124086
     79          1           0       -8.089176   -3.769841   -3.101492
     80          1           0       -7.707814   -1.929564   -4.724596
     81          1           0       -5.661759   -0.541668   -4.589544
     82          1           0       -3.969561   -0.934192   -2.823747
     83          1           0       -3.644111   -4.614161    1.387711
     84          1           0       -5.118796   -6.465215    2.123137
     85          1           0       -7.223317   -6.972348    0.922531
     86          1           0       -7.911259   -5.616101   -1.040710
     87          1           0       -7.738461    5.853040   -0.664211
     88          1           0       -8.348299    4.112555   -2.327837
     89          1           0       -6.755010    2.298556   -2.885810
     90          1           0       -4.537283    2.174255   -1.801366
     91          1           0       -2.022319    5.326296    2.100970
     92          1           0       -2.714166    7.375373    3.306376
     93          1           0       -4.913309    8.427547    2.875247
     94          1           0       -6.485366    7.428393    1.232258
     95          1           0       10.473450    1.056294   -3.383799
     96          1           0       10.192335   -1.102286   -4.578588
     97          1           0        8.200537   -2.513734   -4.168873
     98          1           0        6.455630   -1.818543   -2.550716
     99          1           0        5.892866    2.662983    0.749678
    100          1           0        7.285336    4.683052    1.102649
    101          1           0        9.401575    5.004920   -0.140581
    102          1           0       10.182992    3.293113   -1.760924
    103          1           0        1.750761   -1.787129    4.576828
    104          1           0        3.169845   -2.723611    5.098846
    105          1           0        3.537846   -0.300043    5.569740
    106          1           0        4.674331   -0.844648    4.319962
    107          1           0        3.230912    0.097310    3.870066
    108          1           0        3.416628   -5.681749    1.091201
    109          1           0        2.933273   -5.182229    2.719221
    110          1           0        1.565581   -7.144965    1.954616
    111          1           0        0.530354   -5.713622    2.160507
    112          1           0        1.030239   -6.230442    0.533362
    113         17           0        0.304141    0.112413    2.775373
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351274           0.0181719           0.0142880
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.8884052747 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000037    0.000006   -0.000030 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657638     A.U. after    7 cycles
            NFock=  7  Conv=0.58D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004674    0.000005115    0.000000531
      2        6           0.000006663   -0.000005934    0.000001600
      3        6          -0.000000737    0.000009858   -0.000005163
      4        6          -0.000013702    0.000008564    0.000009053
      5        6           0.000001126   -0.000006498    0.000003020
      6        6          -0.000002270   -0.000001809   -0.000001202
      7        6          -0.000000726   -0.000007433    0.000002332
      8        6          -0.000000324    0.000001646    0.000000960
      9        6          -0.000000177   -0.000008799    0.000013131
     10        6           0.000030947    0.000016949   -0.000025664
     11        6           0.000002168    0.000000634   -0.000001953
     12        6          -0.000012345    0.000001773    0.000002331
     13        6          -0.000000863   -0.000001622    0.000004315
     14        6          -0.000001302    0.000000808   -0.000001721
     15        7           0.000011430    0.000002600    0.000010121
     16        6          -0.000014769   -0.000011688   -0.000013016
     17        6           0.000036330   -0.000022884   -0.000001052
     18        7          -0.000047253    0.000010256    0.000010135
     19        6           0.000010854    0.000005088    0.000005645
     20        6          -0.000007837   -0.000000958    0.000001513
     21        6           0.000003606    0.000017103   -0.000016923
     22        6          -0.000000130   -0.000001699   -0.000002917
     23        7           0.000006558    0.000000175   -0.000003982
     24        7           0.000021287   -0.000001935   -0.000011138
     25        7           0.000010067   -0.000015757    0.000032708
     26        6          -0.000003377   -0.000000778    0.000003328
     27        6           0.000000213    0.000000284    0.000000260
     28        6          -0.000000249    0.000000167    0.000001770
     29        6          -0.000007900    0.000004076    0.000000796
     30        6          -0.000001801    0.000001183    0.000000793
     31        6           0.000000664   -0.000000307   -0.000003656
     32        6           0.000001378   -0.000001963    0.000003807
     33        6          -0.000002594   -0.000003394    0.000007237
     34        6          -0.000008377    0.000001801   -0.000011977
     35        6          -0.000003542    0.000002066   -0.000004420
     36        6          -0.000001414    0.000001310    0.000001197
     37        6          -0.000000574    0.000003249   -0.000011165
     38        6           0.000001296   -0.000000789    0.000000374
     39        6           0.000000178    0.000002496    0.000001284
     40        6          -0.000000780   -0.000003417   -0.000001074
     41        6          -0.000000466    0.000000932    0.000003411
     42        6          -0.000001361   -0.000001782   -0.000001893
     43        6          -0.000000705    0.000001026   -0.000000610
     44        6          -0.000000124    0.000000179    0.000000263
     45        6           0.000000738   -0.000000160   -0.000000434
     46        6           0.000000256    0.000000391   -0.000002548
     47        6           0.000000368    0.000002040    0.000000023
     48        6           0.000001737   -0.000000859    0.000002706
     49        6          -0.000001294    0.000003706   -0.000005407
     50        6          -0.000001041    0.000000081    0.000000571
     51        6          -0.000001565    0.000000820    0.000000577
     52        6           0.000001200   -0.000000128   -0.000000422
     53        6           0.000000393   -0.000000164    0.000000689
     54        6          -0.000000098   -0.000000179   -0.000000147
     55        6          -0.000002509   -0.000001273   -0.000000032
     56        6           0.000002075    0.000000775   -0.000000515
     57        6           0.000000928   -0.000001751    0.000002695
     58        6           0.000004204   -0.000001433    0.000004937
     59        6          -0.000000402   -0.000000120   -0.000000959
     60        6           0.000000269    0.000000182    0.000000512
     61        6           0.000000828   -0.000001827    0.000002823
     62        8           0.000006505    0.000005919   -0.000005215
     63       15          -0.000003777    0.000012547   -0.000013885
     64        8          -0.000011311   -0.000017099    0.000046424
     65        8           0.000007831   -0.000025115    0.000007750
     66        6           0.000015732    0.000004345   -0.000050025
     67        6          -0.000007024    0.000016102    0.000007753
     68        6          -0.000016903    0.000038976   -0.000013453
     69        6          -0.000000125   -0.000004521    0.000005438
     70        1          -0.000002540    0.000000960   -0.000002405
     71        1           0.000000183   -0.000000025   -0.000000654
     72        1           0.000000823    0.000000706    0.000000587
     73        1          -0.000000532   -0.000000496    0.000002391
     74        1           0.000001309    0.000000442   -0.000002063
     75        1          -0.000000328   -0.000000235   -0.000000813
     76        1           0.000000035   -0.000002138    0.000003329
     77        1          -0.000000625   -0.000001708    0.000000532
     78        1          -0.000004321   -0.000000985    0.000001931
     79        1          -0.000000096   -0.000000086   -0.000000095
     80        1           0.000000245   -0.000000437   -0.000000862
     81        1          -0.000000123    0.000001492   -0.000000527
     82        1           0.000000573   -0.000001356   -0.000001912
     83        1           0.000000971   -0.000000171    0.000001399
     84        1          -0.000000204   -0.000000226    0.000000341
     85        1           0.000000282   -0.000000310   -0.000000602
     86        1          -0.000000598    0.000000751    0.000000288
     87        1          -0.000000879    0.000000532    0.000001255
     88        1          -0.000000507   -0.000000744    0.000000221
     89        1          -0.000000372    0.000000638   -0.000001087
     90        1           0.000000379   -0.000001067    0.000000848
     91        1           0.000000548    0.000000408    0.000000203
     92        1           0.000000249   -0.000000152    0.000000018
     93        1          -0.000000340   -0.000000398    0.000000511
     94        1           0.000000096    0.000000458    0.000000277
     95        1           0.000000556   -0.000000005   -0.000000007
     96        1           0.000000780    0.000000077    0.000000096
     97        1           0.000000124   -0.000000168   -0.000000658
     98        1           0.000000014    0.000000475   -0.000000574
     99        1           0.000000169    0.000000336   -0.000000705
    100        1           0.000000462   -0.000000303    0.000000691
    101        1          -0.000000663   -0.000000015   -0.000000579
    102        1           0.000000513    0.000000121   -0.000000530
    103        1          -0.000001876   -0.000013237    0.000000629
    104        1          -0.000003506    0.000002505    0.000010952
    105        1           0.000009720   -0.000005926    0.000000246
    106        1           0.000000308   -0.000002787   -0.000007334
    107        1           0.000000778    0.000000039    0.000005149
    108        1           0.000003834   -0.000004449    0.000001955
    109        1           0.000007435   -0.000002671    0.000002757
    110        1           0.000001431    0.000000766   -0.000000670
    111        1          -0.000001359    0.000001295   -0.000002994
    112        1          -0.000001066   -0.000000563   -0.000001866
    113       17          -0.000013289   -0.000002488   -0.000001919
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000050025 RMS     0.000008012

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000057895 RMS     0.000004730
 Search for a local minimum.
 Step number  51 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   32   33   34   35   36
                                                     37   38   39   40   41
                                                     42   43   44   45   46
                                                     47   48   49   50   51
 DE= -2.01D-07 DEPred=-2.00D-07 R= 1.00D+00
 Trust test= 1.00D+00 RLast= 8.69D-03 DXMaxT set to 2.26D-01
 ITU=  0  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1  1
 ITU=  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0 -1
 ITU=  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00091   0.00344   0.00439   0.00551   0.00620
     Eigenvalues ---    0.00714   0.01028   0.01527   0.01803   0.02040
     Eigenvalues ---    0.02384   0.02485   0.02498   0.02544   0.02554
     Eigenvalues ---    0.02570   0.02588   0.02603   0.02636   0.02679
     Eigenvalues ---    0.02681   0.02698   0.02703   0.02709   0.02715
     Eigenvalues ---    0.02740   0.02751   0.02770   0.02782   0.02791
     Eigenvalues ---    0.02799   0.02803   0.02808   0.02812   0.02815
     Eigenvalues ---    0.02824   0.02837   0.02850   0.02852   0.02864
     Eigenvalues ---    0.02871   0.02875   0.02886   0.02894   0.02899
     Eigenvalues ---    0.02902   0.02906   0.02910   0.02913   0.02917
     Eigenvalues ---    0.02920   0.02927   0.02929   0.02940   0.02944
     Eigenvalues ---    0.02948   0.02950   0.02951   0.02954   0.02955
     Eigenvalues ---    0.02957   0.02962   0.02965   0.02968   0.02973
     Eigenvalues ---    0.02981   0.02990   0.02991   0.02993   0.02998
     Eigenvalues ---    0.03002   0.03019   0.03024   0.03036   0.03051
     Eigenvalues ---    0.03058   0.03062   0.03065   0.03079   0.03084
     Eigenvalues ---    0.03091   0.03107   0.03116   0.03122   0.03137
     Eigenvalues ---    0.03157   0.03164   0.03172   0.03177   0.03202
     Eigenvalues ---    0.03205   0.03223   0.03235   0.03246   0.03283
     Eigenvalues ---    0.03365   0.03551   0.03745   0.04987   0.05135
     Eigenvalues ---    0.05432   0.05550   0.05738   0.05853   0.05910
     Eigenvalues ---    0.05981   0.06149   0.06488   0.08967   0.10053
     Eigenvalues ---    0.11808   0.12180   0.13450   0.13892   0.14143
     Eigenvalues ---    0.15147   0.15641   0.15912   0.15915   0.15962
     Eigenvalues ---    0.15984   0.15988   0.15994   0.15995   0.15997
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16014   0.16020   0.16025   0.16053
     Eigenvalues ---    0.16084   0.16112   0.16157   0.16203   0.17971
     Eigenvalues ---    0.19758   0.19990   0.20504   0.21727   0.21996
     Eigenvalues ---    0.21998   0.22000   0.22000   0.22006   0.22132
     Eigenvalues ---    0.22339   0.22437   0.22447   0.22545   0.22594
     Eigenvalues ---    0.22600   0.22613   0.22638   0.22663   0.22754
     Eigenvalues ---    0.23152   0.23431   0.23463   0.23777   0.24041
     Eigenvalues ---    0.24225   0.24402   0.24475   0.24488   0.24501
     Eigenvalues ---    0.24516   0.24530   0.24661   0.24733   0.24807
     Eigenvalues ---    0.24908   0.24972   0.24976   0.24980   0.24982
     Eigenvalues ---    0.24985   0.24987   0.25002   0.25036   0.25127
     Eigenvalues ---    0.25182   0.25469   0.25850   0.26497   0.27046
     Eigenvalues ---    0.27115   0.27799   0.28635   0.28744   0.28846
     Eigenvalues ---    0.28898   0.29275   0.29349   0.29653   0.30063
     Eigenvalues ---    0.30416   0.30642   0.30704   0.30819   0.31002
     Eigenvalues ---    0.31073   0.31136   0.31259   0.31385   0.31472
     Eigenvalues ---    0.31561   0.31672   0.32134   0.32232   0.32471
     Eigenvalues ---    0.33133   0.33428   0.33538   0.33905   0.33982
     Eigenvalues ---    0.34104   0.34495   0.34667   0.34775   0.34937
     Eigenvalues ---    0.35133   0.35175   0.35330   0.35596   0.35638
     Eigenvalues ---    0.36388   0.36776   0.37162   0.37309   0.37814
     Eigenvalues ---    0.39012   0.40748   0.41533   0.42036   0.42737
     Eigenvalues ---    0.42957   0.43420   0.43718   0.45091   0.45590
     Eigenvalues ---    0.46360   0.47094   0.47110   0.47208   0.47358
     Eigenvalues ---    0.47770   0.48204   0.49631   0.49898   0.50390
     Eigenvalues ---    0.50576   0.50810   0.51304   0.51715   0.52066
     Eigenvalues ---    0.52122   0.52293   0.52645   0.53102   0.53242
     Eigenvalues ---    0.53366   0.53789   0.54288   0.54348   0.54663
     Eigenvalues ---    0.55071   0.55338   0.55614   0.55698   0.55974
     Eigenvalues ---    0.56123   0.56186   0.56462   0.56598   0.56729
     Eigenvalues ---    0.56932   0.57155   0.57451   0.57898   0.58233
     Eigenvalues ---    0.58286   0.58301   0.58349   0.58504   0.58673
     Eigenvalues ---    0.58909   0.58956   0.59420   0.59693   0.59804
     Eigenvalues ---    0.60032   0.60548   0.60881   0.61403   0.62014
     Eigenvalues ---    0.63225   0.63448   0.64206   0.64855   0.65126
     Eigenvalues ---    0.65788   0.66685   0.67773   0.68854   0.72048
     Eigenvalues ---    0.72710   0.74495   0.76670   0.80654   0.80954
     Eigenvalues ---    0.85123   1.44099   5.64936
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    51   50   49   48   47   46   45   44   43   42
 RFO step:  Lambda=-1.36544379D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.89147   -0.90985   -0.07625    0.20801   -0.06497
                  RFO-DIIS coefs:   -0.01221   -0.03621    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00106414 RMS(Int)=  0.00000071
 Iteration  2 RMS(Cart)=  0.00000149 RMS(Int)=  0.00000003
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63964   0.00000   0.00001   0.00001   0.00002   2.63966
    R2        2.65438  -0.00000  -0.00001  -0.00000  -0.00001   2.65437
    R3        2.67519  -0.00000   0.00000   0.00000   0.00000   2.67519
    R4        2.64597  -0.00000  -0.00001  -0.00001  -0.00001   2.64596
    R5        2.04661   0.00000   0.00000   0.00000   0.00000   2.04662
    R6        2.66487  -0.00000   0.00000  -0.00000  -0.00000   2.66487
    R7        2.78812   0.00001   0.00002   0.00001   0.00003   2.78816
    R8        2.64809  -0.00001  -0.00001  -0.00001  -0.00002   2.64808
    R9        2.78031   0.00001   0.00002   0.00001   0.00003   2.78034
   R10        2.62093   0.00000   0.00001   0.00000   0.00001   2.62094
   R11        2.04808   0.00000   0.00000   0.00000   0.00000   2.04809
   R12        2.04881   0.00000  -0.00000   0.00000   0.00000   2.04881
   R13        2.67761   0.00000  -0.00001  -0.00000  -0.00001   2.67760
   R14        2.64539   0.00000   0.00000  -0.00000  -0.00000   2.64538
   R15        2.83584   0.00000   0.00015   0.00003   0.00018   2.83602
   R16        2.64672   0.00000  -0.00003  -0.00001  -0.00003   2.64668
   R17        2.84296   0.00001   0.00015   0.00002   0.00018   2.84313
   R18        2.69287   0.00000   0.00020   0.00000   0.00020   2.69307
   R19        2.43402  -0.00002  -0.00004  -0.00002  -0.00006   2.43396
   R20        2.63760   0.00000   0.00000   0.00000   0.00001   2.63760
   R21        2.04597   0.00000   0.00000   0.00000   0.00000   2.04597
   R22        2.64431   0.00000  -0.00001  -0.00001  -0.00002   2.64429
   R23        2.67486  -0.00001   0.00001  -0.00000   0.00001   2.67487
   R24        2.62373  -0.00000   0.00002   0.00000   0.00002   2.62376
   R25        2.04859   0.00000   0.00000   0.00000   0.00000   2.04859
   R26        2.04113  -0.00000  -0.00000  -0.00000  -0.00001   2.04113
   R27        2.69797  -0.00001   0.00002  -0.00000   0.00002   2.69799
   R28        3.33207  -0.00001  -0.00016  -0.00003  -0.00019   3.33189
   R29        2.67203  -0.00000  -0.00002  -0.00000  -0.00002   2.67201
   R30        2.65344   0.00000  -0.00000   0.00000   0.00000   2.65344
   R31        2.61457   0.00004   0.00005   0.00003   0.00008   2.61465
   R32        2.65233  -0.00000  -0.00002  -0.00000  -0.00002   2.65231
   R33        2.62557  -0.00000   0.00002  -0.00000   0.00002   2.62558
   R34        2.03734   0.00000  -0.00000   0.00000   0.00000   2.03734
   R35        2.65087   0.00000  -0.00002   0.00000  -0.00002   2.65084
   R36        2.04946   0.00000   0.00000   0.00000   0.00000   2.04947
   R37        2.62501   0.00000   0.00001   0.00000   0.00001   2.62502
   R38        2.67983  -0.00001   0.00001  -0.00001   0.00001   2.67984
   R39        2.04790  -0.00000   0.00000   0.00000   0.00000   2.04790
   R40        2.65159   0.00000  -0.00000  -0.00000  -0.00000   2.65159
   R41        2.65180   0.00000  -0.00000  -0.00000  -0.00000   2.65180
   R42        2.65026   0.00001  -0.00001   0.00000  -0.00000   2.65026
   R43        2.64963   0.00000  -0.00001  -0.00000  -0.00001   2.64962
   R44        2.64727  -0.00000  -0.00002  -0.00000  -0.00002   2.64725
   R45        2.64594   0.00001  -0.00001   0.00000  -0.00000   2.64594
   R46        2.67830  -0.00000   0.00000  -0.00000   0.00000   2.67831
   R47        2.64059   0.00000  -0.00000  -0.00000  -0.00000   2.64058
   R48        2.73715  -0.00000  -0.00000  -0.00000  -0.00000   2.73714
   R49        2.64480  -0.00000   0.00000  -0.00000  -0.00000   2.64480
   R50        2.67936  -0.00000   0.00000   0.00000   0.00000   2.67936
   R51        2.64458  -0.00000   0.00000  -0.00000   0.00000   2.64458
   R52        2.64148  -0.00000  -0.00000  -0.00000  -0.00000   2.64148
   R53        2.67846  -0.00000  -0.00000   0.00000   0.00000   2.67846
   R54        2.64101   0.00000  -0.00000   0.00000  -0.00000   2.64101
   R55        2.73665  -0.00000   0.00000  -0.00000  -0.00000   2.73665
   R56        2.64453   0.00000   0.00000   0.00000   0.00000   2.64453
   R57        2.67870  -0.00000  -0.00000  -0.00000  -0.00000   2.67870
   R58        2.64456   0.00000  -0.00000   0.00000   0.00000   2.64457
   R59        2.64121   0.00000  -0.00000   0.00000  -0.00000   2.64121
   R60        2.67969   0.00000   0.00000  -0.00000   0.00000   2.67969
   R61        2.64063   0.00000   0.00000  -0.00000   0.00000   2.64063
   R62        2.73662  -0.00000  -0.00000  -0.00000  -0.00000   2.73662
   R63        2.64507  -0.00000   0.00000  -0.00000   0.00000   2.64507
   R64        2.67996  -0.00000   0.00000  -0.00000   0.00000   2.67996
   R65        2.64486   0.00000   0.00000   0.00000   0.00000   2.64486
   R66        2.64101   0.00000  -0.00000   0.00000  -0.00000   2.64100
   R67        2.62990   0.00000   0.00000  -0.00000  -0.00000   2.62990
   R68        2.05259   0.00000   0.00000   0.00000   0.00000   2.05259
   R69        2.65486  -0.00000   0.00000  -0.00000  -0.00000   2.65486
   R70        2.05138   0.00000   0.00000  -0.00000  -0.00000   2.05138
   R71        2.63353   0.00000  -0.00000   0.00000  -0.00000   2.63353
   R72        2.05241   0.00000  -0.00000   0.00000   0.00000   2.05241
   R73        2.04891  -0.00000   0.00000  -0.00000   0.00000   2.04891
   R74        2.63284  -0.00000   0.00000  -0.00000  -0.00000   2.63284
   R75        2.04901   0.00000  -0.00000   0.00000   0.00000   2.04901
   R76        2.65525  -0.00000   0.00000  -0.00000   0.00000   2.65525
   R77        2.05214   0.00000   0.00000   0.00000   0.00000   2.05214
   R78        2.62964  -0.00000   0.00000  -0.00000  -0.00000   2.62964
   R79        2.05144  -0.00000   0.00000  -0.00000   0.00000   2.05144
   R80        2.05263   0.00000   0.00000   0.00000   0.00000   2.05263
   R81        2.62977  -0.00000   0.00000  -0.00000  -0.00000   2.62977
   R82        2.05265   0.00000  -0.00000   0.00000   0.00000   2.05265
   R83        2.65442   0.00000   0.00000   0.00000   0.00000   2.65443
   R84        2.05138   0.00000  -0.00000   0.00000   0.00000   2.05138
   R85        2.63277  -0.00000   0.00000  -0.00000  -0.00000   2.63277
   R86        2.05208   0.00000  -0.00000   0.00000  -0.00000   2.05208
   R87        2.04830   0.00000  -0.00000   0.00000   0.00000   2.04830
   R88        2.63288   0.00000  -0.00000  -0.00000  -0.00000   2.63288
   R89        2.04848   0.00000  -0.00000   0.00000   0.00000   2.04848
   R90        2.65473  -0.00000   0.00000  -0.00000   0.00000   2.65473
   R91        2.05213  -0.00000   0.00000  -0.00000   0.00000   2.05213
   R92        2.62955  -0.00000   0.00000  -0.00000  -0.00000   2.62955
   R93        2.05144   0.00000  -0.00000   0.00000   0.00000   2.05144
   R94        2.05264   0.00000  -0.00000   0.00000   0.00000   2.05264
   R95        2.62989   0.00000   0.00000  -0.00000   0.00000   2.62989
   R96        2.05272   0.00000  -0.00000  -0.00000  -0.00000   2.05272
   R97        2.65533  -0.00000   0.00000  -0.00000   0.00000   2.65533
   R98        2.05146   0.00000  -0.00000   0.00000   0.00000   2.05146
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   D224      -0.00927   0.00000   0.00002   0.00002   0.00004  -0.00923
   D225       0.01701   0.00000  -0.00000  -0.00001  -0.00001   0.01700
   D226      -3.11612   0.00000  -0.00001  -0.00001  -0.00002  -3.11614
   D227       0.00971   0.00000  -0.00001   0.00000  -0.00000   0.00970
   D228      -3.14059  -0.00000   0.00001  -0.00001  -0.00001  -3.14059
   D229      -3.12564   0.00000  -0.00002   0.00001  -0.00001  -3.12565
   D230       0.00725  -0.00000  -0.00001  -0.00001  -0.00001   0.00724
   D231      -0.01092  -0.00000   0.00002  -0.00001   0.00001  -0.01091
   D232       3.12202  -0.00000   0.00003  -0.00002   0.00001   3.12203
   D233       3.13935   0.00000   0.00000   0.00000   0.00001   3.13936
   D234      -0.01090   0.00000   0.00001   0.00000   0.00001  -0.01088
   D235      -0.00594   0.00000  -0.00001   0.00001   0.00001  -0.00593
   D236       3.12142  -0.00000   0.00003  -0.00002   0.00001   3.12143
   D237      -3.13891   0.00000  -0.00002   0.00002   0.00000  -3.13891
   D238      -0.01156  -0.00000   0.00002  -0.00002   0.00001  -0.01155
   D239      -0.00573   0.00000   0.00000   0.00001   0.00001  -0.00572
   D240       3.14125   0.00000  -0.00000   0.00000   0.00000   3.14125
   D241       3.12533  -0.00000   0.00000   0.00001   0.00001   3.12534
   D242      -0.01088  -0.00000  -0.00000   0.00001   0.00000  -0.01088
   D243      -0.00825  -0.00000   0.00000  -0.00001  -0.00000  -0.00825
   D244       3.14049  -0.00000   0.00000  -0.00001  -0.00000   3.14049
   D245       3.12793  -0.00000   0.00001  -0.00000   0.00001   3.12794
   D246      -0.00651  -0.00000   0.00001  -0.00000   0.00000  -0.00651
   D247       0.00785   0.00000  -0.00001   0.00000  -0.00000   0.00785
   D248      -3.12769   0.00000  -0.00001   0.00001  -0.00001  -3.12770
   D249      -3.14091   0.00000  -0.00000   0.00000  -0.00000  -3.14091
   D250       0.00673   0.00000  -0.00001   0.00001  -0.00000   0.00673
   D251      -0.00957  -0.00000   0.00000   0.00000   0.00000  -0.00957
   D252       3.13596  -0.00000   0.00001  -0.00001  -0.00000   3.13596
   D253       3.12889   0.00000  -0.00000   0.00001   0.00001   3.12889
   D254      -0.00877  -0.00000   0.00000   0.00000   0.00000  -0.00876
   D255       0.00751  -0.00000   0.00000  -0.00001  -0.00000   0.00750
   D256      -3.13692   0.00000   0.00001  -0.00001   0.00001  -3.13691
   D257      -3.13801   0.00000  -0.00000   0.00000  -0.00000  -3.13801
   D258       0.00075   0.00000   0.00001   0.00000   0.00001   0.00076
   D259       0.00874   0.00000  -0.00001   0.00001   0.00000   0.00874
   D260      -3.12598  -0.00000   0.00001  -0.00002  -0.00001  -3.12598
   D261      -3.13005   0.00000  -0.00001   0.00001  -0.00001  -3.13005
   D262       0.01843  -0.00000   0.00000  -0.00002  -0.00002   0.01841
   D263       0.00635  -0.00000   0.00001  -0.00001  -0.00000   0.00634
   D264      -3.14021  -0.00000   0.00000  -0.00000   0.00000  -3.14021
   D265      -3.12413  -0.00000   0.00000  -0.00001  -0.00001  -3.12414
   D266       0.01250  -0.00000   0.00000  -0.00001  -0.00000   0.01250
   D267       0.00965   0.00000   0.00000  -0.00000  -0.00000   0.00965
   D268      -3.13965  -0.00000   0.00001  -0.00001   0.00001  -3.13965
   D269      -3.12696  -0.00000   0.00000  -0.00001  -0.00000  -3.12697
   D270       0.00692  -0.00000   0.00001  -0.00001   0.00000   0.00693
   D271      -0.00906   0.00000  -0.00000   0.00001   0.00001  -0.00906
   D272       3.12591  -0.00000  -0.00001   0.00001  -0.00000   3.12590
   D273       3.14025   0.00000  -0.00001   0.00001  -0.00000   3.14025
   D274      -0.00796   0.00000  -0.00002   0.00001  -0.00001  -0.00797
   D275       0.00664  -0.00000  -0.00000  -0.00001  -0.00001   0.00663
   D276      -3.14072   0.00000  -0.00000   0.00000   0.00000  -3.14072
   D277      -3.12978  -0.00000   0.00001  -0.00001   0.00000  -3.12978
   D278       0.00604   0.00000   0.00001  -0.00000   0.00001   0.00605
   D279      -0.00708  -0.00000  -0.00000   0.00000   0.00000  -0.00708
   D280       3.13020  -0.00000   0.00000   0.00000   0.00001   3.13021
   D281       3.14027  -0.00000  -0.00000  -0.00001  -0.00001   3.14026
   D282      -0.00564  -0.00000  -0.00000  -0.00000  -0.00000  -0.00564
   D283      -0.00473   0.00000   0.00000   0.00000   0.00001  -0.00472
   D284       3.12843  -0.00000   0.00001   0.00001   0.00002   3.12844
   D285       3.14116   0.00000   0.00000   0.00000   0.00000   3.14116
   D286      -0.00886  -0.00000   0.00001   0.00000   0.00001  -0.00886
   D287      -0.00353  -0.00000   0.00000  -0.00001  -0.00001  -0.00354
   D288       3.13952  -0.00000  -0.00000  -0.00000  -0.00000   3.13951
   D289       3.13439  -0.00000   0.00001   0.00001   0.00001   3.13440
   D290      -0.00575   0.00000   0.00000   0.00001   0.00002  -0.00573
   D291      -0.00614  -0.00000   0.00001   0.00000   0.00001  -0.00614
   D292       3.13873  -0.00000   0.00000   0.00000   0.00000   3.13873
   D293       3.13399  -0.00000   0.00001  -0.00001   0.00000   3.13399
   D294      -0.00433  -0.00000   0.00001  -0.00001  -0.00000  -0.00433
   D295       0.00519   0.00000  -0.00001   0.00001   0.00000   0.00519
   D296      -3.13229   0.00000  -0.00001  -0.00000  -0.00001  -3.13230
   D297      -3.13969   0.00000  -0.00001   0.00001   0.00000  -3.13968
   D298       0.00601   0.00000  -0.00000  -0.00000  -0.00000   0.00601
   D299       1.78524   0.00001  -0.00049  -0.00009  -0.00059   1.78465
   D300      -0.47060   0.00001  -0.00053  -0.00011  -0.00065  -0.47125
   D301      -2.70913   0.00001  -0.00045  -0.00009  -0.00054  -2.70967
   D302       3.10337  -0.00001  -0.00004   0.00000  -0.00003   3.10334
   D303      -1.01334  -0.00000  -0.00004  -0.00002  -0.00006  -1.01340
   D304       1.21547  -0.00000  -0.00017  -0.00007  -0.00024   1.21523
   D305      -2.13877   0.00002   0.00319  -0.00004   0.00316  -2.13561
   D306       0.00698   0.00004   0.00354  -0.00001   0.00353   0.01050
   D307       2.04531   0.00002   0.00329  -0.00003   0.00326   2.04858
   D308       1.53947  -0.00000   0.00049  -0.00016   0.00032   1.53979
   D309      -2.63736  -0.00000   0.00051  -0.00019   0.00033  -2.63703
   D310      -0.62342  -0.00000   0.00054  -0.00021   0.00033  -0.62309
   D311      -3.06051   0.00001   0.00027   0.00021   0.00049  -3.06002
   D312      -0.97497   0.00001   0.00018   0.00018   0.00036  -0.97461
   D313       1.14414   0.00001   0.00023   0.00017   0.00040   1.14454
   D314       1.10921   0.00000   0.00003   0.00023   0.00026   1.10947
   D315      -3.08843  -0.00000  -0.00006   0.00020   0.00014  -3.08830
   D316      -0.96932  -0.00000  -0.00001   0.00018   0.00017  -0.96915
   D317      -1.03221   0.00001   0.00013   0.00024   0.00037  -1.03183
   D318       1.05333   0.00001   0.00004   0.00021   0.00025   1.05358
   D319      -3.11074   0.00001   0.00009   0.00020   0.00028  -3.11046
   D320      -1.06970   0.00000  -0.00232   0.00027  -0.00205  -1.07175
   D321       1.04794   0.00001  -0.00192   0.00027  -0.00164   1.04630
   D322      -3.06643   0.00001  -0.00202   0.00026  -0.00176  -3.06819
   D323       3.09451   0.00000   0.00003  -0.00017  -0.00014   3.09438
   D324      -1.09484   0.00000   0.00001  -0.00014  -0.00013  -1.09497
   D325       1.01461   0.00000   0.00002  -0.00016  -0.00014   1.01447
   D326       1.06364  -0.00000  -0.00001  -0.00015  -0.00016   1.06348
   D327      -3.12571  -0.00000  -0.00003  -0.00013  -0.00016  -3.12587
   D328      -1.01626  -0.00000  -0.00002  -0.00014  -0.00016  -1.01643
   D329      -1.05224   0.00000  -0.00001  -0.00011  -0.00012  -1.05236
   D330       1.04160   0.00000  -0.00003  -0.00009  -0.00011   1.04148
   D331      -3.13214   0.00000  -0.00002  -0.00010  -0.00012  -3.13226
         Item               Value     Threshold  Converged?
 Maximum Force            0.000058     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.008198     0.001800     NO 
 RMS     Displacement     0.001064     0.001200     YES
 Predicted change in Energy=-6.342565D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.595983    3.245993    0.120617
      2          6           0       -2.754563    1.865444    0.262464
      3          6           0       -1.650303    1.005851    0.215358
      4          6           0       -0.359474    1.559456    0.089218
      5          6           0       -0.208151    2.943251   -0.071583
      6          6           0       -1.312083    3.782862   -0.070059
      7          6           0       -1.784059   -0.462964    0.175566
      8          6           0       -0.653301   -1.285916    0.403186
      9          6           0        0.629189   -0.639837    0.839156
     10          6           0        0.825293    0.690299    0.163977
     11          6           0       -2.988121   -1.054350   -0.224623
     12          6           0       -3.081629   -2.427335   -0.457680
     13          6           0       -1.937222   -3.221497   -0.324733
     14          6           0       -0.744708   -2.649792    0.098123
     15          7           0        1.789807   -1.462721    0.921468
     16          6           0        3.038284   -0.958544    0.446617
     17          6           0        3.079195    0.326417   -0.142029
     18          7           0        1.958384    1.128496   -0.263832
     19          6           0        4.230936   -1.698488    0.487565
     20          6           0        5.417586   -1.171755   -0.007250
     21          6           0        5.457456    0.103247   -0.590803
     22          6           0        4.279465    0.836034   -0.661226
     23          7           0       -3.727224    4.096156    0.160428
     24          7           0       -4.308296   -2.998504   -0.873182
     25          7           0        6.673840    0.628572   -1.096255
     26          6           0       -4.943506   -4.093621   -0.269770
     27          6           0       -6.154845   -4.357138   -0.956757
     28          6           0       -6.255479   -3.382438   -2.023431
     29          6           0       -5.102444   -2.561264   -1.942803
     30          6           0       -3.864111    5.244335    0.955289
     31          6           0       -5.136182    5.820953    0.713796
     32          6           0       -5.798178    4.987443   -0.268157
     33          6           0       -4.904676    3.933747   -0.585491
     34          6           0        7.256359    1.848100   -0.727683
     35          6           0        8.473155    2.009392   -1.437756
     36          6           0        8.630965    0.837458   -2.273713
     37          6           0        7.504823    0.008538   -2.037265
     38          6           0       -7.198933   -3.150437   -3.030673
     39          6           0       -6.980411   -2.120984   -3.941309
     40          6           0       -5.822141   -1.330047   -3.860347
     41          6           0       -4.867565   -1.538991   -2.866741
     42          6           0       -4.557666   -4.837347    0.848511
     43          6           0       -5.396581   -5.871992    1.256972
     44          6           0       -6.592758   -6.158374    0.577677
     45          6           0       -6.978992   -5.402746   -0.525158
     46          6           0       -7.045062    5.050539   -0.900408
     47          6           0       -7.381872    4.076588   -1.835590
     48          6           0       -6.478649    3.048250   -2.151474
     49          6           0       -5.230425    2.964494   -1.538337
     50          6           0       -2.982930    5.786185    1.895022
     51          6           0       -3.384367    6.935432    2.572700
     52          6           0       -4.633657    7.530745    2.331034
     53          6           0       -5.514636    6.975610    1.408013
     54          6           0        9.604221    0.431770   -3.194075
     55          6           0        9.442187   -0.777105   -3.864248
     56          6           0        8.312847   -1.579206   -3.628366
     57          6           0        7.329332   -1.199603   -2.717538
     58          6           0        6.816302    2.798900    0.196950
     59          6           0        7.607639    3.929133    0.389674
     60          6           0        8.809954    4.111349   -0.314510
     61          6           0        9.248524    3.155218   -1.225455
     62          8           0        0.479789   -3.050425    2.730721
     63         15           0        1.778944   -2.787963    2.084370
     64          8           0        3.010983   -2.511219    3.069693
     65          8           0        2.364757   -3.944316    1.130926
     66          6           0        2.817961   -1.950265    4.411178
     67          6           0        3.616150   -0.669037    4.542024
     68          6           0        2.592431   -5.276627    1.684687
     69          6           0        1.348298   -6.140062    1.577113
     70          1           0       -3.749465    1.472791    0.432561
     71          1           0        0.791964    3.342364   -0.194481
     72          1           0       -1.192579    4.851130   -0.211391
     73          1           0       -3.864357   -0.441165   -0.393194
     74          1           0       -1.979029   -4.274486   -0.579040
     75          1           0        0.133876   -3.277004    0.134867
     76          1           0        4.248642   -2.690365    0.909693
     77          1           0        6.328527   -1.756247    0.061770
     78          1           0        4.249766    1.815470   -1.124082
     79          1           0       -8.087508   -3.770922   -3.102999
     80          1           0       -7.705668   -1.930968   -4.726359
     81          1           0       -5.659750   -0.542920   -4.590862
     82          1           0       -3.968150   -0.934983   -2.824383
     83          1           0       -3.643947   -4.614079    1.387915
     84          1           0       -5.118799   -6.465046    2.123228
     85          1           0       -7.222886   -6.972531    0.922011
     86          1           0       -7.910219   -5.616733   -1.041754
     87          1           0       -7.738981    5.852339   -0.664923
     88          1           0       -8.348258    4.111894   -2.328799
     89          1           0       -6.754614    2.298165   -2.886609
     90          1           0       -4.537070    2.174082   -1.801740
     91          1           0       -2.023248    5.326219    2.101229
     92          1           0       -2.715579    7.375140    3.306625
     93          1           0       -4.914791    8.427040    2.875173
     94          1           0       -6.486435    7.427752    1.231871
     95          1           0       10.472320    1.056039   -3.385495
     96          1           0       10.190799   -1.102742   -4.579819
     97          1           0        8.199186   -2.514165   -4.169124
     98          1           0        6.454878   -1.818748   -2.550403
     99          1           0        5.893272    2.663238    0.749494
    100          1           0        7.285827    4.683402    1.101646
    101          1           0        9.401581    5.005145   -0.142442
    102          1           0       10.182423    3.293126   -1.762837
    103          1           0        1.751711   -1.789106    4.579266
    104          1           0        3.173769   -2.721788    5.099763
    105          1           0        3.537056   -0.297477    5.569131
    106          1           0        4.672738   -0.839899    4.317694
    107          1           0        3.226551    0.098804    3.869847
    108          1           0        3.416681   -5.681205    1.092537
    109          1           0        2.933142   -5.181688    2.720487
    110          1           0        1.565569   -7.144463    1.955617
    111          1           0        0.530330   -5.713146    2.161639
    112          1           0        1.030267   -6.229788    0.534448
    113         17           0        0.303480    0.112884    2.776051
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351240           0.0181725           0.0142893
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9261087970 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000049    0.000012   -0.000037 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657644     A.U. after    7 cycles
            NFock=  7  Conv=0.54D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005485    0.000002300    0.000000629
      2        6           0.000005239   -0.000003498    0.000000548
      3        6          -0.000000021    0.000004114   -0.000004021
      4        6          -0.000008951    0.000006702    0.000009310
      5        6           0.000000243   -0.000004183    0.000002107
      6        6          -0.000000016   -0.000001532   -0.000000364
      7        6          -0.000004108   -0.000001114    0.000002372
      8        6           0.000010072    0.000013280    0.000018440
      9        6          -0.000000292   -0.000009100   -0.000012780
     10        6           0.000013844   -0.000001662    0.000000866
     11        6           0.000002749    0.000001050   -0.000002142
     12        6          -0.000014540    0.000002187    0.000001445
     13        6           0.000004140   -0.000001563    0.000004341
     14        6          -0.000003080   -0.000005170   -0.000001493
     15        7          -0.000000596    0.000019003    0.000019532
     16        6          -0.000012966   -0.000014683   -0.000009518
     17        6           0.000019939   -0.000012384   -0.000000241
     18        7          -0.000022564    0.000008648    0.000004179
     19        6           0.000010510    0.000005470    0.000006278
     20        6          -0.000007506   -0.000004338    0.000002373
     21        6           0.000001267    0.000018720   -0.000016669
     22        6           0.000003652    0.000000030   -0.000002382
     23        7           0.000006208   -0.000000001   -0.000003290
     24        7           0.000020542   -0.000001054   -0.000007650
     25        7           0.000007705   -0.000015827    0.000029046
     26        6          -0.000002870   -0.000001747    0.000002587
     27        6           0.000000575    0.000000079    0.000000590
     28        6           0.000000239    0.000000639    0.000000741
     29        6          -0.000008344    0.000004742    0.000000334
     30        6          -0.000001383    0.000001737    0.000000261
     31        6           0.000000862    0.000001070   -0.000004092
     32        6           0.000000933   -0.000001897    0.000003278
     33        6          -0.000002021   -0.000003218    0.000006388
     34        6          -0.000007014    0.000003985   -0.000010113
     35        6          -0.000004482    0.000002762   -0.000003837
     36        6          -0.000000353   -0.000000555    0.000001810
     37        6           0.000000831    0.000001853   -0.000009469
     38        6           0.000000667   -0.000001139    0.000000725
     39        6           0.000000507    0.000002169    0.000001106
     40        6          -0.000000561   -0.000002134   -0.000001425
     41        6          -0.000000665    0.000000518    0.000003171
     42        6          -0.000000689   -0.000001361   -0.000000957
     43        6          -0.000000307    0.000000482   -0.000000418
     44        6          -0.000000165    0.000000401    0.000000271
     45        6           0.000000451   -0.000000323   -0.000000683
     46        6           0.000000407    0.000000121   -0.000001936
     47        6           0.000000264    0.000001475   -0.000000096
     48        6           0.000001421   -0.000000785    0.000002348
     49        6          -0.000001481    0.000002839   -0.000004516
     50        6          -0.000000962   -0.000000404    0.000000641
     51        6          -0.000001301    0.000000598    0.000000628
     52        6           0.000001528    0.000000205   -0.000000248
     53        6          -0.000000310   -0.000001133    0.000001220
     54        6          -0.000001149    0.000000536   -0.000000851
     55        6          -0.000002091   -0.000001089    0.000000043
     56        6           0.000001858    0.000000676   -0.000000491
     57        6           0.000000876   -0.000001209    0.000002208
     58        6           0.000003227   -0.000001283    0.000003741
     59        6          -0.000000313    0.000000445   -0.000000352
     60        6           0.000000033   -0.000000351    0.000000449
     61        6           0.000001483   -0.000001611    0.000002219
     62        8           0.000004683    0.000006532   -0.000007281
     63       15          -0.000001391   -0.000000760   -0.000002248
     64        8          -0.000007506   -0.000001172    0.000034452
     65        8           0.000006594   -0.000023918    0.000012492
     66        6           0.000009256   -0.000016573   -0.000041486
     67        6           0.000000139    0.000013037    0.000009250
     68        6          -0.000012213    0.000028731   -0.000015887
     69        6           0.000000703   -0.000002910    0.000005177
     70        1          -0.000002277    0.000000394   -0.000002242
     71        1           0.000000012    0.000000057   -0.000000311
     72        1           0.000000570    0.000000605    0.000000410
     73        1          -0.000000715   -0.000000132    0.000002512
     74        1           0.000001118    0.000000617   -0.000001944
     75        1           0.000000269   -0.000000461   -0.000000953
     76        1           0.000000258   -0.000001591    0.000004013
     77        1          -0.000001173   -0.000001839    0.000000199
     78        1          -0.000003628   -0.000001163    0.000001805
     79        1          -0.000000017    0.000000004   -0.000000249
     80        1           0.000000053   -0.000000359   -0.000000691
     81        1          -0.000000187    0.000001357   -0.000000193
     82        1           0.000000897   -0.000001078   -0.000001859
     83        1          -0.000000074   -0.000000330    0.000000688
     84        1          -0.000000232   -0.000000067    0.000000313
     85        1           0.000000318   -0.000000306   -0.000000557
     86        1          -0.000000529    0.000000658    0.000000424
     87        1          -0.000000865    0.000000641    0.000000950
     88        1          -0.000000525   -0.000000545    0.000000249
     89        1          -0.000000174    0.000000573   -0.000001240
     90        1          -0.000000214   -0.000000568    0.000000418
     91        1           0.000000512    0.000000563    0.000000087
     92        1           0.000000136   -0.000000012    0.000000064
     93        1          -0.000000438   -0.000000544    0.000000582
     94        1           0.000000243    0.000000707    0.000000041
     95        1           0.000000876   -0.000000234    0.000000273
     96        1           0.000000569    0.000000067   -0.000000110
     97        1           0.000000030   -0.000000249   -0.000000578
     98        1           0.000000113    0.000000336   -0.000000705
     99        1           0.000000300    0.000000485   -0.000000306
    100        1           0.000000462   -0.000000356    0.000000546
    101        1          -0.000000567    0.000000094   -0.000000478
    102        1           0.000000425    0.000000122   -0.000000339
    103        1          -0.000002680    0.000004864   -0.000003620
    104        1          -0.000003297    0.000001987    0.000004548
    105        1           0.000007514   -0.000002695   -0.000000038
    106        1           0.000000747   -0.000000185   -0.000005548
    107        1          -0.000001891   -0.000001590    0.000004563
    108        1           0.000000809   -0.000002946    0.000000476
    109        1           0.000006043    0.000000036    0.000002685
    110        1           0.000001312    0.000000399    0.000000479
    111        1          -0.000002126    0.000000974   -0.000003567
    112        1          -0.000001267   -0.000001310   -0.000001759
    113       17          -0.000006659   -0.000012435   -0.000029700
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041486 RMS     0.000006550

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000155909 RMS     0.000009989
 Search for a local minimum.
 Step number  52 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
 DE= -6.19D-08 DEPred=-6.34D-08 R= 9.75D-01
 Trust test= 9.75D-01 RLast= 9.87D-03 DXMaxT set to 2.26D-01
 ITU=  0  0  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1  1
 ITU=  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1  0
 ITU= -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00105   0.00336   0.00430   0.00552   0.00573
     Eigenvalues ---    0.00690   0.00805   0.01493   0.01806   0.02076
     Eigenvalues ---    0.02382   0.02485   0.02498   0.02531   0.02544
     Eigenvalues ---    0.02559   0.02587   0.02603   0.02636   0.02678
     Eigenvalues ---    0.02681   0.02698   0.02704   0.02708   0.02715
     Eigenvalues ---    0.02738   0.02750   0.02770   0.02779   0.02787
     Eigenvalues ---    0.02798   0.02803   0.02807   0.02812   0.02814
     Eigenvalues ---    0.02824   0.02837   0.02850   0.02851   0.02864
     Eigenvalues ---    0.02868   0.02874   0.02887   0.02888   0.02898
     Eigenvalues ---    0.02899   0.02905   0.02908   0.02912   0.02915
     Eigenvalues ---    0.02917   0.02921   0.02929   0.02939   0.02944
     Eigenvalues ---    0.02947   0.02949   0.02951   0.02953   0.02955
     Eigenvalues ---    0.02955   0.02963   0.02964   0.02966   0.02971
     Eigenvalues ---    0.02980   0.02990   0.02991   0.02994   0.02996
     Eigenvalues ---    0.03002   0.03018   0.03024   0.03036   0.03051
     Eigenvalues ---    0.03058   0.03062   0.03065   0.03079   0.03081
     Eigenvalues ---    0.03089   0.03095   0.03114   0.03121   0.03136
     Eigenvalues ---    0.03153   0.03163   0.03170   0.03177   0.03191
     Eigenvalues ---    0.03204   0.03222   0.03234   0.03246   0.03283
     Eigenvalues ---    0.03365   0.03561   0.03745   0.05008   0.05135
     Eigenvalues ---    0.05423   0.05556   0.05724   0.05838   0.05909
     Eigenvalues ---    0.05958   0.06124   0.06478   0.09114   0.10074
     Eigenvalues ---    0.11811   0.12160   0.13434   0.13867   0.14149
     Eigenvalues ---    0.15125   0.15610   0.15897   0.15915   0.15963
     Eigenvalues ---    0.15984   0.15985   0.15993   0.15995   0.15997
     Eigenvalues ---    0.15997   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16012   0.16019   0.16025   0.16052
     Eigenvalues ---    0.16088   0.16129   0.16137   0.16205   0.18037
     Eigenvalues ---    0.19624   0.19959   0.20483   0.21719   0.21996
     Eigenvalues ---    0.21998   0.22000   0.22000   0.22006   0.22145
     Eigenvalues ---    0.22334   0.22436   0.22444   0.22551   0.22594
     Eigenvalues ---    0.22600   0.22613   0.22639   0.22663   0.22766
     Eigenvalues ---    0.23139   0.23411   0.23456   0.23762   0.24007
     Eigenvalues ---    0.24228   0.24358   0.24471   0.24476   0.24499
     Eigenvalues ---    0.24515   0.24530   0.24631   0.24723   0.24804
     Eigenvalues ---    0.24897   0.24971   0.24976   0.24978   0.24980
     Eigenvalues ---    0.24986   0.24987   0.25002   0.25028   0.25124
     Eigenvalues ---    0.25160   0.25389   0.25843   0.26477   0.27000
     Eigenvalues ---    0.27086   0.27740   0.28605   0.28743   0.28846
     Eigenvalues ---    0.28899   0.29277   0.29350   0.29661   0.30063
     Eigenvalues ---    0.30414   0.30638   0.30703   0.30819   0.31006
     Eigenvalues ---    0.31072   0.31136   0.31258   0.31384   0.31480
     Eigenvalues ---    0.31564   0.31640   0.32134   0.32231   0.32460
     Eigenvalues ---    0.33129   0.33361   0.33506   0.33683   0.33965
     Eigenvalues ---    0.33999   0.34495   0.34667   0.34745   0.34936
     Eigenvalues ---    0.34972   0.35157   0.35308   0.35571   0.35616
     Eigenvalues ---    0.36387   0.36775   0.37163   0.37309   0.37674
     Eigenvalues ---    0.39012   0.40424   0.41532   0.42032   0.42658
     Eigenvalues ---    0.42771   0.43418   0.43566   0.45113   0.45613
     Eigenvalues ---    0.46324   0.47094   0.47103   0.47207   0.47351
     Eigenvalues ---    0.47770   0.48178   0.49634   0.49896   0.50393
     Eigenvalues ---    0.50575   0.50817   0.51266   0.51711   0.52055
     Eigenvalues ---    0.52119   0.52292   0.52642   0.53101   0.53240
     Eigenvalues ---    0.53346   0.53789   0.54289   0.54346   0.54677
     Eigenvalues ---    0.55064   0.55317   0.55615   0.55698   0.55958
     Eigenvalues ---    0.56113   0.56186   0.56462   0.56596   0.56709
     Eigenvalues ---    0.56931   0.57155   0.57414   0.57898   0.58230
     Eigenvalues ---    0.58264   0.58290   0.58348   0.58503   0.58674
     Eigenvalues ---    0.58889   0.58924   0.59405   0.59687   0.59804
     Eigenvalues ---    0.60017   0.60549   0.60881   0.61402   0.62014
     Eigenvalues ---    0.63222   0.63446   0.64203   0.64879   0.65125
     Eigenvalues ---    0.65790   0.66684   0.67772   0.68843   0.72047
     Eigenvalues ---    0.72667   0.74455   0.76416   0.80129   0.80981
     Eigenvalues ---    0.85052   1.38368   6.52850
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    52   51   50   49   48   47   46   45   44   43
 RFO step:  Lambda=-9.05837905D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=T Rises=F RFO-DIIS coefs:    0.20085    1.75767   -0.95852    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00043959 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63966   0.00000  -0.00000   0.00001   0.00001   2.63967
    R2        2.65437   0.00000   0.00000  -0.00001  -0.00000   2.65436
    R3        2.67519  -0.00000   0.00000  -0.00000   0.00000   2.67520
    R4        2.64596  -0.00000   0.00001  -0.00001  -0.00000   2.64596
    R5        2.04662   0.00000  -0.00000   0.00001   0.00000   2.04662
    R6        2.66487  -0.00000   0.00000  -0.00000  -0.00000   2.66487
    R7        2.78816  -0.00000  -0.00000   0.00001   0.00001   2.78817
    R8        2.64808  -0.00000   0.00001  -0.00002  -0.00001   2.64807
    R9        2.78034   0.00001  -0.00001   0.00003   0.00003   2.78036
   R10        2.62094   0.00000   0.00000   0.00000   0.00001   2.62095
   R11        2.04809   0.00000   0.00000  -0.00000   0.00000   2.04809
   R12        2.04881   0.00000  -0.00000   0.00000   0.00000   2.04881
   R13        2.67760   0.00000  -0.00001   0.00000  -0.00001   2.67759
   R14        2.64538  -0.00000   0.00001  -0.00000   0.00000   2.64539
   R15        2.83602  -0.00001   0.00010  -0.00001   0.00010   2.83612
   R16        2.64668   0.00000  -0.00002   0.00000  -0.00002   2.64667
   R17        2.84313  -0.00000   0.00008   0.00003   0.00011   2.84324
   R18        2.69307  -0.00001   0.00016  -0.00003   0.00013   2.69320
   R19        2.43396  -0.00000  -0.00001  -0.00003  -0.00004   2.43392
   R20        2.63760   0.00000  -0.00000   0.00000  -0.00000   2.63760
   R21        2.04597   0.00000  -0.00000   0.00000   0.00000   2.04598
   R22        2.64429   0.00000  -0.00000  -0.00000  -0.00001   2.64428
   R23        2.67487  -0.00001   0.00002  -0.00001   0.00001   2.67488
   R24        2.62376  -0.00000   0.00001   0.00000   0.00001   2.62377
   R25        2.04859   0.00000   0.00000  -0.00000   0.00000   2.04859
   R26        2.04113   0.00000  -0.00000  -0.00000  -0.00000   2.04112
   R27        2.69799  -0.00001   0.00002  -0.00001   0.00001   2.69800
   R28        3.33189  -0.00001  -0.00008  -0.00001  -0.00009   3.33180
   R29        2.67201  -0.00000  -0.00001  -0.00001  -0.00001   2.67200
   R30        2.65344   0.00000  -0.00001   0.00001  -0.00000   2.65344
   R31        2.61465   0.00002  -0.00000   0.00006   0.00006   2.61471
   R32        2.65231   0.00000  -0.00002  -0.00000  -0.00002   2.65229
   R33        2.62558  -0.00000   0.00002  -0.00001   0.00001   2.62559
   R34        2.03734   0.00000  -0.00000   0.00001   0.00000   2.03734
   R35        2.65084   0.00001  -0.00003   0.00001  -0.00002   2.65083
   R36        2.04947  -0.00000  -0.00000   0.00000   0.00000   2.04947
   R37        2.62502   0.00000   0.00001  -0.00000   0.00001   2.62503
   R38        2.67984  -0.00001   0.00003  -0.00002   0.00001   2.67985
   R39        2.04790  -0.00000   0.00000  -0.00000  -0.00000   2.04790
   R40        2.65159   0.00000  -0.00000   0.00000   0.00000   2.65159
   R41        2.65180   0.00000   0.00000  -0.00000  -0.00000   2.65179
   R42        2.65026   0.00001  -0.00001   0.00001  -0.00000   2.65025
   R43        2.64962   0.00000  -0.00001   0.00000  -0.00001   2.64962
   R44        2.64725  -0.00000  -0.00002  -0.00001  -0.00002   2.64723
   R45        2.64594   0.00001  -0.00001   0.00001  -0.00000   2.64593
   R46        2.67831  -0.00000   0.00000  -0.00000   0.00000   2.67831
   R47        2.64058   0.00000  -0.00000   0.00000  -0.00000   2.64058
   R48        2.73714  -0.00000   0.00000  -0.00001  -0.00000   2.73714
   R49        2.64480  -0.00000   0.00000  -0.00000  -0.00000   2.64480
   R50        2.67936  -0.00000   0.00000  -0.00000   0.00000   2.67936
   R51        2.64458  -0.00000   0.00000  -0.00000   0.00000   2.64458
   R52        2.64148  -0.00000   0.00000  -0.00000  -0.00000   2.64148
   R53        2.67846  -0.00000   0.00000  -0.00000  -0.00000   2.67846
   R54        2.64101   0.00000   0.00000  -0.00000   0.00000   2.64101
   R55        2.73665  -0.00000   0.00001  -0.00001  -0.00000   2.73665
   R56        2.64453   0.00000  -0.00000   0.00000   0.00000   2.64454
   R57        2.67870  -0.00000   0.00000  -0.00000   0.00000   2.67870
   R58        2.64457   0.00000  -0.00000   0.00000   0.00000   2.64457
   R59        2.64121   0.00000  -0.00000   0.00000   0.00000   2.64121
   R60        2.67969  -0.00000   0.00001  -0.00000   0.00000   2.67969
   R61        2.64063   0.00000   0.00000   0.00000   0.00000   2.64063
   R62        2.73662  -0.00000   0.00000  -0.00000  -0.00000   2.73662
   R63        2.64507  -0.00000   0.00000  -0.00000   0.00000   2.64507
   R64        2.67996  -0.00000   0.00001  -0.00000   0.00000   2.67996
   R65        2.64486   0.00000   0.00000   0.00000   0.00000   2.64486
   R66        2.64100   0.00000  -0.00000  -0.00000  -0.00000   2.64100
   R67        2.62990   0.00000   0.00000  -0.00000  -0.00000   2.62990
   R68        2.05259   0.00000   0.00000   0.00000   0.00000   2.05259
   R69        2.65486  -0.00000   0.00000  -0.00000   0.00000   2.65486
   R70        2.05138   0.00000   0.00000  -0.00000   0.00000   2.05138
   R71        2.63353   0.00000  -0.00000   0.00000  -0.00000   2.63352
   R72        2.05241   0.00000  -0.00000   0.00000   0.00000   2.05241
   R73        2.04891  -0.00000   0.00000  -0.00000   0.00000   2.04891
   R74        2.63284  -0.00000   0.00000  -0.00000  -0.00000   2.63284
   R75        2.04901   0.00000   0.00000   0.00000   0.00000   2.04902
   R76        2.65525  -0.00000   0.00000  -0.00000  -0.00000   2.65525
   R77        2.05214   0.00000  -0.00000   0.00000   0.00000   2.05214
   R78        2.62964  -0.00000   0.00000  -0.00000  -0.00000   2.62964
   R79        2.05144  -0.00000   0.00000  -0.00000   0.00000   2.05145
   R80        2.05263   0.00000   0.00000   0.00000   0.00000   2.05263
   R81        2.62977  -0.00000   0.00000  -0.00000  -0.00000   2.62977
   R82        2.05265   0.00000  -0.00000   0.00000   0.00000   2.05265
   R83        2.65443  -0.00000  -0.00000   0.00000   0.00000   2.65443
   R84        2.05138   0.00000  -0.00000   0.00000   0.00000   2.05138
   R85        2.63277  -0.00000   0.00000  -0.00000  -0.00000   2.63277
   R86        2.05208   0.00000  -0.00000   0.00000   0.00000   2.05208
   R87        2.04830   0.00000  -0.00000   0.00000   0.00000   2.04831
   R88        2.63288   0.00000   0.00000   0.00000   0.00000   2.63288
   R89        2.04848   0.00000   0.00000   0.00000   0.00000   2.04848
   R90        2.65473  -0.00000   0.00000  -0.00000  -0.00000   2.65473
   R91        2.05213   0.00000   0.00000  -0.00000   0.00000   2.05213
   R92        2.62955  -0.00000   0.00000  -0.00000  -0.00000   2.62955
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   D31        2.74959   0.00000  -0.00016  -0.00008  -0.00024   2.74935
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   D53        0.75838  -0.00000   0.00018   0.00010   0.00028   0.75866
   D54       -2.46000  -0.00001   0.00020   0.00006   0.00026  -2.45974
   D55       -3.12630   0.00001  -0.00018   0.00015  -0.00002  -3.12632
   D56       -0.06149   0.00001  -0.00015   0.00011  -0.00004  -0.06153
   D57        2.41153   0.00001  -0.00016  -0.00017  -0.00032   2.41120
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   D83        0.15466  -0.00000  -0.00005   0.00001  -0.00004   0.15462
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   D86        2.92429  -0.00001  -0.00013   0.00024   0.00011   2.92440
   D87        0.66158   0.00003  -0.00011   0.00022   0.00011   0.66170
   D88       -1.17330   0.00001  -0.00011   0.00023   0.00012  -1.17318
   D89        0.01446   0.00001  -0.00005   0.00004  -0.00001   0.01446
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   D91        3.11464   0.00001  -0.00013   0.00018   0.00005   3.11469
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   D219      -3.12289   0.00000  -0.00002  -0.00000  -0.00002  -3.12291
   D220       0.01353   0.00000  -0.00002   0.00000  -0.00002   0.01351
   D221       0.00536   0.00000  -0.00000   0.00001   0.00001   0.00536
   D222      -3.14141   0.00000  -0.00001   0.00002   0.00000  -3.14140
   D223       3.12390   0.00000   0.00001   0.00003   0.00005   3.12395
   D224      -0.00923   0.00000   0.00001   0.00004   0.00005  -0.00918
   D225       0.01700   0.00000  -0.00001   0.00000  -0.00001   0.01698
   D226      -3.11614   0.00000  -0.00002   0.00000  -0.00001  -3.11615
   D227       0.00970   0.00000  -0.00001   0.00001  -0.00000   0.00970
   D228      -3.14059  -0.00000   0.00002  -0.00002  -0.00001  -3.14060
   D229      -3.12565   0.00000  -0.00002   0.00001  -0.00001  -3.12566
   D230       0.00724  -0.00000   0.00001  -0.00002  -0.00002   0.00722
   D231      -0.01091  -0.00000   0.00002  -0.00002   0.00001  -0.01090
   D232       3.12203  -0.00000   0.00002  -0.00001   0.00002   3.12205
   D233       3.13936   0.00000  -0.00001   0.00002   0.00001   3.13937
   D234      -0.01088   0.00000  -0.00001   0.00003   0.00002  -0.01086
   D235      -0.00593   0.00000  -0.00002   0.00002   0.00001  -0.00592
   D236       3.12143  -0.00000   0.00005  -0.00005   0.00000   3.12143
   D237      -3.13891   0.00000  -0.00002   0.00001  -0.00000  -3.13891
   D238      -0.01155  -0.00000   0.00005  -0.00006  -0.00001  -0.01156
   D239      -0.00572   0.00000  -0.00000   0.00001   0.00001  -0.00571
   D240       3.14125   0.00000  -0.00000   0.00001   0.00000   3.14126
   D241       3.12534  -0.00000   0.00000   0.00000   0.00000   3.12534
   D242      -0.01088  -0.00000  -0.00000   0.00000  -0.00000  -0.01088
   D243      -0.00825  -0.00000   0.00001  -0.00001  -0.00000  -0.00825
   D244       3.14049  -0.00000   0.00001  -0.00001  -0.00001   3.14048
   D245       3.12794  -0.00000   0.00001  -0.00001   0.00000   3.12794
   D246      -0.00651  -0.00000   0.00001  -0.00001  -0.00000  -0.00651
   D247       0.00785   0.00000  -0.00001   0.00000  -0.00000   0.00784
   D248      -3.12770   0.00000  -0.00002   0.00002   0.00000  -3.12769
   D249      -3.14091   0.00000  -0.00001   0.00001   0.00000  -3.14091
   D250       0.00673   0.00000  -0.00002   0.00003   0.00001   0.00674
   D251      -0.00957  -0.00000  -0.00000   0.00000  -0.00000  -0.00957
   D252       3.13596  -0.00000   0.00001  -0.00002  -0.00000   3.13595
   D253       3.12889  -0.00000  -0.00001   0.00001  -0.00000   3.12889
   D254      -0.00876  -0.00000   0.00001  -0.00001  -0.00000  -0.00877
   D255       0.00750   0.00000   0.00001  -0.00000   0.00000   0.00750
   D256      -3.13691   0.00000  -0.00000   0.00002   0.00002  -3.13689
   D257      -3.13801   0.00000  -0.00001   0.00001   0.00000  -3.13801
   D258       0.00076   0.00000  -0.00002   0.00004   0.00002   0.00078
   D259       0.00874   0.00000  -0.00001   0.00002   0.00001   0.00874
   D260      -3.12598  -0.00000   0.00002  -0.00002   0.00000  -3.12598
   D261      -3.13005  -0.00000  -0.00000  -0.00001  -0.00001  -3.13006
   D262       0.01841  -0.00000   0.00003  -0.00004  -0.00001   0.01840
   D263       0.00634  -0.00000   0.00001  -0.00001   0.00000   0.00634
   D264      -3.14021  -0.00000   0.00000  -0.00000   0.00000  -3.14020
   D265      -3.12414  -0.00000   0.00002  -0.00002  -0.00001  -3.12415
   D266       0.01250  -0.00000   0.00001  -0.00002  -0.00000   0.01249
   D267       0.00965  -0.00000   0.00000  -0.00000  -0.00000   0.00964
   D268      -3.13965  -0.00000   0.00001  -0.00001   0.00000  -3.13964
   D269      -3.12697  -0.00000   0.00001  -0.00001  -0.00000  -3.12697
   D270       0.00693  -0.00000   0.00002  -0.00002   0.00000   0.00693
   D271      -0.00906   0.00000  -0.00001   0.00001   0.00000  -0.00906
   D272       3.12590   0.00000  -0.00001   0.00001  -0.00000   3.12590
   D273       3.14025   0.00000  -0.00002   0.00002  -0.00000   3.14025
   D274      -0.00797   0.00000  -0.00002   0.00002  -0.00000  -0.00797
   D275       0.00663  -0.00000  -0.00000  -0.00000  -0.00001   0.00662
   D276      -3.14072   0.00000  -0.00001   0.00001   0.00000  -3.14072
   D277      -3.12978  -0.00000   0.00000  -0.00001  -0.00001  -3.12979
   D278       0.00605  -0.00000   0.00000   0.00000   0.00000   0.00605
   D279      -0.00708  -0.00000   0.00000  -0.00000   0.00000  -0.00708
   D280       3.13021  -0.00000   0.00001  -0.00000   0.00000   3.13021
   D281       3.14026  -0.00000   0.00000  -0.00001  -0.00001   3.14025
   D282      -0.00564  -0.00000   0.00001  -0.00002  -0.00000  -0.00565
   D283      -0.00472  -0.00000   0.00001   0.00000   0.00001  -0.00471
   D284       3.12844  -0.00000   0.00001   0.00000   0.00001   3.12846
   D285       3.14116   0.00000  -0.00000   0.00001   0.00001   3.14117
   D286      -0.00886  -0.00000   0.00000   0.00000   0.00001  -0.00885
   D287      -0.00354  -0.00000   0.00001  -0.00002  -0.00001  -0.00355
   D288       3.13951  -0.00000  -0.00000   0.00000  -0.00000   3.13951
   D289       3.13440  -0.00000   0.00001  -0.00000   0.00001   3.13441
   D290      -0.00573   0.00000  -0.00000   0.00002   0.00001  -0.00572
   D291      -0.00614  -0.00000   0.00001  -0.00000   0.00001  -0.00613
   D292       3.13873  -0.00000   0.00001  -0.00001   0.00000   3.13873
   D293       3.13399  -0.00000   0.00002  -0.00002  -0.00000   3.13399
   D294      -0.00433  -0.00000   0.00002  -0.00003  -0.00001  -0.00433
   D295       0.00519   0.00000  -0.00002   0.00002   0.00000   0.00520
   D296      -3.13230   0.00000  -0.00001   0.00001  -0.00000  -3.13230
   D297      -3.13968   0.00000  -0.00002   0.00003   0.00001  -3.13968
   D298       0.00601   0.00000  -0.00001   0.00001   0.00000   0.00601
   D299       1.78465  -0.00006  -0.00015  -0.00013  -0.00028   1.78437
   D300      -0.47125  -0.00001  -0.00013  -0.00015  -0.00028  -0.47152
   D301      -2.70967  -0.00002  -0.00008  -0.00015  -0.00023  -2.70990
   D302       3.10334  -0.00002   0.00021  -0.00022  -0.00002   3.10332
   D303      -1.01340  -0.00001   0.00023  -0.00023  -0.00001  -1.01340
   D304       1.21523   0.00002   0.00018  -0.00024  -0.00006   1.21518
   D305      -2.13561   0.00001   0.00012  -0.00003   0.00010  -2.13551
   D306       0.01050   0.00002   0.00010   0.00000   0.00010   0.01061
   D307       2.04858   0.00001   0.00012  -0.00002   0.00010   2.04868
   D308       1.53979  -0.00000   0.00032  -0.00017   0.00015   1.53994
   D309      -2.63703  -0.00000   0.00034  -0.00018   0.00016  -2.63687
   D310      -0.62309  -0.00000   0.00041  -0.00026   0.00015  -0.62294
   D311      -3.06002  -0.00002  -0.00044   0.00063   0.00019  -3.05984
   D312      -0.97461  -0.00002  -0.00041   0.00059   0.00018  -0.97443
   D313       1.14454  -0.00002  -0.00039   0.00054   0.00015   1.14469
   D314       1.10947   0.00003  -0.00046   0.00061   0.00016   1.10963
   D315      -3.08830   0.00003  -0.00042   0.00057   0.00015  -3.08815
   D316      -0.96915   0.00003  -0.00041   0.00053   0.00012  -0.96903
   D317      -1.03183   0.00001  -0.00046   0.00068   0.00022  -1.03162
   D318       1.05358   0.00001  -0.00043   0.00064   0.00021   1.05379
   D319      -3.11046   0.00001  -0.00041   0.00059   0.00018  -3.11028
   D320      -1.07175   0.00006  -0.00008   0.00013   0.00005  -1.07170
   D321       1.04630   0.00004  -0.00008   0.00016   0.00008   1.04638
   D322      -3.06819   0.00005  -0.00007   0.00009   0.00002  -3.06817
   D323       3.09438   0.00000   0.00018  -0.00008   0.00010   3.09447
   D324      -1.09497   0.00000   0.00013  -0.00004   0.00009  -1.09488
   D325       1.01447   0.00000   0.00015  -0.00006   0.00009   1.01456
   D326       1.06348  -0.00000   0.00018  -0.00010   0.00008   1.06356
   D327      -3.12587  -0.00000   0.00013  -0.00006   0.00007  -3.12580
   D328      -1.01643  -0.00000   0.00015  -0.00008   0.00007  -1.01636
   D329      -1.05236   0.00000   0.00011   0.00000   0.00011  -1.05224
   D330       1.04148   0.00000   0.00006   0.00005   0.00010   1.04159
   D331      -3.13226   0.00000   0.00008   0.00002   0.00010  -3.13216
         Item               Value     Threshold  Converged?
 Maximum Force            0.000156     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.002087     0.001800     NO 
 RMS     Displacement     0.000440     0.001200     YES
 Predicted change in Energy=-2.748405D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.596093    3.245955    0.120722
      2          6           0       -2.754629    1.865389    0.262483
      3          6           0       -1.650324    1.005850    0.215484
      4          6           0       -0.359508    1.559520    0.089498
      5          6           0       -0.208226    2.943326   -0.071212
      6          6           0       -1.312196    3.782891   -0.069767
      7          6           0       -1.783991   -0.462977    0.175672
      8          6           0       -0.653232   -1.285865    0.403495
      9          6           0        0.629179   -0.639686    0.839727
     10          6           0        0.825294    0.690394    0.164313
     11          6           0       -2.987958   -1.054427   -0.224718
     12          6           0       -3.081356   -2.427418   -0.457775
     13          6           0       -1.936931   -3.221513   -0.324628
     14          6           0       -0.744514   -2.649740    0.098429
     15          7           0        1.789887   -1.462563    0.922052
     16          6           0        3.038328   -0.958419    0.447052
     17          6           0        3.079195    0.326462   -0.141753
     18          7           0        1.958346    1.128535   -0.263594
     19          6           0        4.231013   -1.698307    0.488068
     20          6           0        5.417625   -1.171608   -0.006887
     21          6           0        5.457432    0.103297   -0.590634
     22          6           0        4.279413    0.836046   -0.661083
     23          7           0       -3.727377    4.096067    0.160443
     24          7           0       -4.307926   -2.998675   -0.873460
     25          7           0        6.673779    0.628570   -1.096245
     26          6           0       -4.943253   -4.093696   -0.270000
     27          6           0       -6.154516   -4.357248   -0.957112
     28          6           0       -6.254986   -3.382657   -2.023898
     29          6           0       -5.101935   -2.561510   -1.943210
     30          6           0       -3.864442    5.244157    0.955402
     31          6           0       -5.136529    5.820701    0.713823
     32          6           0       -5.798352    4.987238   -0.268285
     33          6           0       -4.904734    3.933641   -0.585621
     34          6           0        7.256311    1.848143   -0.727890
     35          6           0        8.472885    2.009509   -1.438330
     36          6           0        8.630518    0.837573   -2.274318
     37          6           0        7.504498    0.008586   -2.037519
     38          6           0       -7.198305   -3.150727   -3.031283
     39          6           0       -6.979642   -2.121364   -3.941986
     40          6           0       -5.821365   -1.330443   -3.860949
     41          6           0       -4.866921   -1.539319   -2.867203
     42          6           0       -4.557573   -4.837326    0.848399
     43          6           0       -5.396570   -5.871905    1.256861
     44          6           0       -6.592672   -6.158320    0.577447
     45          6           0       -6.978745   -5.402791   -0.525512
     46          6           0       -7.045163    5.050310   -0.900682
     47          6           0       -7.381785    4.076439   -1.836013
     48          6           0       -6.478444    3.048205   -2.151903
     49          6           0       -5.230289    2.964475   -1.538622
     50          6           0       -2.983408    5.785985    1.895286
     51          6           0       -3.385007    6.935138    2.573028
     52          6           0       -4.634314    7.530379    2.331278
     53          6           0       -5.515147    6.975265    1.408105
     54          6           0        9.603530    0.431914   -3.194952
     55          6           0        9.441372   -0.776989   -3.865043
     56          6           0        8.312153   -1.579156   -3.628806
     57          6           0        7.328884   -1.199589   -2.717696
     58          6           0        6.816463    2.798926    0.196862
     59          6           0        7.607778    3.929217    0.389334
     60          6           0        8.809874    4.111501   -0.315208
     61          6           0        9.248241    3.155388   -1.226269
     62          8           0        0.479919   -3.050248    2.731276
     63         15           0        1.779066   -2.787777    2.084915
     64          8           0        3.011121   -2.511051    3.070259
     65          8           0        2.364889   -3.944154    1.131520
     66          6           0        2.818096   -1.949819    4.411591
     67          6           0        3.616371   -0.668609    4.542232
     68          6           0        2.592616   -5.276432    1.685262
     69          6           0        1.348566   -6.139973    1.577522
     70          1           0       -3.749540    1.472682    0.432416
     71          1           0        0.791885    3.342489   -0.193988
     72          1           0       -1.192720    4.851174   -0.211019
     73          1           0       -3.864194   -0.441282   -0.393444
     74          1           0       -1.978638   -4.274508   -0.578927
     75          1           0        0.134087   -3.276917    0.135336
     76          1           0        4.248793   -2.690108    0.910371
     77          1           0        6.328582   -1.756073    0.062168
     78          1           0        4.249663    1.815430   -1.124045
     79          1           0       -8.086889   -3.771193   -3.103662
     80          1           0       -7.704791   -1.931409   -4.727152
     81          1           0       -5.658871   -0.543377   -4.591508
     82          1           0       -3.967500   -0.935323   -2.824780
     83          1           0       -3.643912   -4.614035    1.387894
     84          1           0       -5.118912   -6.464882    2.123210
     85          1           0       -7.222865   -6.972426    0.921782
     86          1           0       -7.909916   -5.616801   -1.042201
     87          1           0       -7.739172    5.852034   -0.665192
     88          1           0       -8.348114    4.111725   -2.329335
     89          1           0       -6.754257    2.298193   -2.887169
     90          1           0       -4.536839    2.174146   -1.802030
     91          1           0       -2.023712    5.326076    2.101554
     92          1           0       -2.716335    7.374828    3.307069
     93          1           0       -4.915577    8.426603    2.875469
     94          1           0       -6.486962    7.427350    1.231899
     95          1           0       10.471539    1.056226   -3.386644
     96          1           0       10.189796   -1.102602   -4.580821
     97          1           0        8.198393   -2.514139   -4.169502
     98          1           0        6.454520   -1.818785   -2.550274
     99          1           0        5.893602    2.663206    0.749672
    100          1           0        7.286128    4.683476    1.101390
    101          1           0        9.401490    5.005341   -0.143330
    102          1           0       10.181971    3.293356   -1.763929
    103          1           0        1.751852   -1.788546    4.579632
    104          1           0        3.173823   -2.721207    5.100373
    105          1           0        3.537418   -0.296944    5.569311
    106          1           0        4.672923   -0.839575    4.317804
    107          1           0        3.226776    0.099195    3.870009
    108          1           0        3.416973   -5.680940    1.093210
    109          1           0        2.933201   -5.181509    2.721109
    110          1           0        1.565847   -7.144338    1.956117
    111          1           0        0.530475   -5.713082    2.161896
    112          1           0        1.030709   -6.229777    0.534810
    113         17           0        0.303142    0.112886    2.776367
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351222           0.0181726           0.0142900
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9099668768 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000009    0.000002   -0.000016 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657646     A.U. after    6 cycles
            NFock=  6  Conv=0.60D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004615    0.000001682    0.000000572
      2        6           0.000004062   -0.000003999   -0.000000032
      3        6          -0.000000199    0.000004506   -0.000002714
      4        6          -0.000004083    0.000003780    0.000009299
      5        6           0.000000182   -0.000002919    0.000000668
      6        6           0.000000312   -0.000000587   -0.000000031
      7        6          -0.000006876   -0.000000679    0.000002168
      8        6           0.000018069    0.000016613    0.000022829
      9        6           0.000004103   -0.000010373   -0.000029354
     10        6           0.000000168   -0.000014973    0.000022465
     11        6           0.000003332    0.000003135   -0.000001889
     12        6          -0.000014447    0.000000397    0.000000679
     13        6           0.000005696   -0.000001721    0.000004501
     14        6          -0.000004063   -0.000007944   -0.000001462
     15        7          -0.000015864    0.000030567    0.000022072
     16        6          -0.000012943   -0.000014252   -0.000004837
     17        6           0.000004131   -0.000003243   -0.000000117
     18        7          -0.000003001    0.000005926   -0.000000273
     19        6           0.000011822    0.000003736    0.000006090
     20        6          -0.000008287   -0.000007303    0.000001731
     21        6           0.000001303    0.000019824   -0.000014965
     22        6           0.000008046    0.000000751   -0.000002295
     23        7           0.000005309   -0.000000474   -0.000002475
     24        7           0.000019481    0.000001358   -0.000004550
     25        7           0.000001148   -0.000017729    0.000024252
     26        6          -0.000002940   -0.000004049    0.000001252
     27        6           0.000001663    0.000000186    0.000000681
     28        6           0.000000425    0.000000973    0.000000200
     29        6          -0.000008923    0.000005169    0.000000096
     30        6          -0.000000359    0.000001776    0.000001117
     31        6           0.000000702    0.000001453   -0.000003531
     32        6           0.000001198   -0.000001886    0.000002627
     33        6          -0.000002643   -0.000002225    0.000004004
     34        6          -0.000004093    0.000008207   -0.000007656
     35        6          -0.000004951    0.000002700   -0.000002643
     36        6           0.000000107   -0.000002156    0.000001570
     37        6           0.000003032    0.000000158   -0.000008012
     38        6           0.000000422   -0.000001088    0.000001103
     39        6           0.000000272    0.000002059    0.000000081
     40        6          -0.000000590   -0.000001513   -0.000000945
     41        6           0.000000044    0.000000645    0.000002440
     42        6           0.000000186   -0.000000092   -0.000000295
     43        6          -0.000000095    0.000000248   -0.000000312
     44        6          -0.000000140    0.000000310    0.000000216
     45        6          -0.000000090   -0.000000443   -0.000000327
     46        6          -0.000000099    0.000000313   -0.000001367
     47        6           0.000000135    0.000001067    0.000000212
     48        6           0.000001322   -0.000000843    0.000001300
     49        6          -0.000000765    0.000001890   -0.000003347
     50        6          -0.000000258   -0.000000562    0.000000384
     51        6          -0.000001006    0.000000358    0.000000639
     52        6           0.000001139    0.000000321   -0.000000471
     53        6          -0.000000482   -0.000001348    0.000001369
     54        6          -0.000001008    0.000001464   -0.000001049
     55        6          -0.000001663   -0.000001338   -0.000000140
     56        6           0.000001290    0.000000494   -0.000000418
     57        6           0.000000320   -0.000000666    0.000001864
     58        6           0.000002270   -0.000001252    0.000002729
     59        6          -0.000000086    0.000000217   -0.000000337
     60        6           0.000000140   -0.000000068    0.000000157
     61        6           0.000001346   -0.000001440    0.000001976
     62        8           0.000003145    0.000008114   -0.000007325
     63       15           0.000001093   -0.000007107    0.000006574
     64        8          -0.000012496   -0.000003031    0.000021523
     65        8           0.000007568   -0.000012895    0.000003462
     66        6           0.000008206   -0.000010596   -0.000026373
     67        6           0.000000975    0.000008600    0.000006073
     68        6          -0.000009118    0.000017075   -0.000009450
     69        6           0.000001419   -0.000001267    0.000005415
     70        1          -0.000001067    0.000000751   -0.000001403
     71        1          -0.000000010    0.000000130   -0.000000170
     72        1           0.000000401    0.000000116    0.000000171
     73        1          -0.000000567   -0.000000472    0.000001945
     74        1           0.000000968    0.000000788   -0.000001610
     75        1           0.000002199   -0.000000560    0.000000187
     76        1          -0.000000652   -0.000001705    0.000003033
     77        1          -0.000000705   -0.000001214    0.000000521
     78        1          -0.000003504   -0.000000827    0.000001267
     79        1           0.000000116   -0.000000080   -0.000000351
     80        1           0.000000021   -0.000000177   -0.000000253
     81        1          -0.000000067    0.000000750   -0.000000031
     82        1           0.000000855   -0.000001125   -0.000001573
     83        1          -0.000000556   -0.000000570    0.000000149
     84        1          -0.000000306    0.000000053    0.000000170
     85        1           0.000000264   -0.000000158   -0.000000473
     86        1          -0.000000287    0.000000604    0.000000204
     87        1          -0.000000404    0.000000387    0.000000657
     88        1          -0.000000302   -0.000000330    0.000000080
     89        1          -0.000000111    0.000000440   -0.000000646
     90        1          -0.000000633   -0.000000207    0.000000555
     91        1           0.000000135    0.000000509   -0.000000007
     92        1           0.000000242   -0.000000110   -0.000000043
     93        1          -0.000000421   -0.000000503    0.000000692
     94        1           0.000000234    0.000000701   -0.000000110
     95        1           0.000000658   -0.000000367    0.000000485
     96        1           0.000000335    0.000000213   -0.000000080
     97        1           0.000000039   -0.000000074   -0.000000315
     98        1           0.000000316    0.000000341   -0.000000675
     99        1           0.000000225    0.000000465   -0.000000126
    100        1           0.000000307   -0.000000343    0.000000423
    101        1          -0.000000395    0.000000054   -0.000000267
    102        1           0.000000182   -0.000000060   -0.000000169
    103        1          -0.000000883    0.000003669   -0.000003708
    104        1          -0.000003236    0.000001722    0.000002217
    105        1           0.000006279   -0.000002025   -0.000000194
    106        1           0.000000895    0.000000511   -0.000004374
    107        1          -0.000002595   -0.000001752    0.000004550
    108        1           0.000000420   -0.000002606   -0.000000192
    109        1           0.000004316    0.000000686    0.000001229
    110        1           0.000001307    0.000000530    0.000000188
    111        1          -0.000002082    0.000000500   -0.000003264
    112        1          -0.000001200   -0.000000734   -0.000001088
    113       17          -0.000000136   -0.000011935   -0.000044999
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000044999 RMS     0.000006308

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000223464 RMS     0.000014517
 Search for a local minimum.
 Step number  53 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53
 DE= -2.37D-08 DEPred=-2.75D-08 R= 8.63D-01
 Trust test= 8.63D-01 RLast= 1.57D-03 DXMaxT set to 2.26D-01
 ITU=  0  0  0  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1  1
 ITU=  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1  1
 ITU=  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00091   0.00351   0.00438   0.00543   0.00582
     Eigenvalues ---    0.00662   0.00753   0.01408   0.01792   0.02105
     Eigenvalues ---    0.02389   0.02484   0.02497   0.02543   0.02551
     Eigenvalues ---    0.02575   0.02588   0.02604   0.02636   0.02678
     Eigenvalues ---    0.02681   0.02697   0.02703   0.02706   0.02715
     Eigenvalues ---    0.02736   0.02751   0.02767   0.02771   0.02784
     Eigenvalues ---    0.02798   0.02803   0.02805   0.02810   0.02814
     Eigenvalues ---    0.02824   0.02836   0.02847   0.02851   0.02853
     Eigenvalues ---    0.02865   0.02874   0.02878   0.02887   0.02895
     Eigenvalues ---    0.02899   0.02903   0.02906   0.02911   0.02914
     Eigenvalues ---    0.02917   0.02920   0.02929   0.02937   0.02943
     Eigenvalues ---    0.02946   0.02949   0.02951   0.02952   0.02954
     Eigenvalues ---    0.02955   0.02963   0.02964   0.02966   0.02970
     Eigenvalues ---    0.02979   0.02989   0.02991   0.02992   0.02995
     Eigenvalues ---    0.03002   0.03018   0.03024   0.03036   0.03051
     Eigenvalues ---    0.03057   0.03059   0.03065   0.03073   0.03080
     Eigenvalues ---    0.03086   0.03092   0.03113   0.03120   0.03135
     Eigenvalues ---    0.03152   0.03161   0.03169   0.03177   0.03186
     Eigenvalues ---    0.03203   0.03222   0.03233   0.03246   0.03285
     Eigenvalues ---    0.03368   0.03555   0.03724   0.04997   0.05134
     Eigenvalues ---    0.05410   0.05553   0.05713   0.05804   0.05902
     Eigenvalues ---    0.05936   0.06113   0.06477   0.09142   0.10089
     Eigenvalues ---    0.11820   0.12142   0.13436   0.13784   0.14151
     Eigenvalues ---    0.15113   0.15562   0.15906   0.15921   0.15964
     Eigenvalues ---    0.15983   0.15985   0.15993   0.15995   0.15997
     Eigenvalues ---    0.15997   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16014   0.16019   0.16025   0.16055
     Eigenvalues ---    0.16090   0.16118   0.16157   0.16212   0.18116
     Eigenvalues ---    0.19866   0.20065   0.20525   0.21754   0.21996
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22008   0.22160
     Eigenvalues ---    0.22324   0.22432   0.22450   0.22550   0.22594
     Eigenvalues ---    0.22602   0.22612   0.22634   0.22665   0.22778
     Eigenvalues ---    0.23109   0.23444   0.23459   0.23777   0.23966
     Eigenvalues ---    0.24226   0.24411   0.24475   0.24488   0.24507
     Eigenvalues ---    0.24521   0.24532   0.24667   0.24731   0.24801
     Eigenvalues ---    0.24900   0.24974   0.24976   0.24980   0.24985
     Eigenvalues ---    0.24987   0.24988   0.25002   0.25030   0.25123
     Eigenvalues ---    0.25186   0.25458   0.25856   0.26521   0.26920
     Eigenvalues ---    0.27132   0.27857   0.28588   0.28743   0.28852
     Eigenvalues ---    0.28945   0.29299   0.29352   0.29658   0.30068
     Eigenvalues ---    0.30418   0.30649   0.30708   0.30824   0.31003
     Eigenvalues ---    0.31078   0.31145   0.31260   0.31395   0.31488
     Eigenvalues ---    0.31565   0.31672   0.32134   0.32231   0.32472
     Eigenvalues ---    0.33133   0.33400   0.33534   0.33953   0.33995
     Eigenvalues ---    0.34098   0.34495   0.34668   0.34707   0.34936
     Eigenvalues ---    0.35147   0.35230   0.35351   0.35562   0.35714
     Eigenvalues ---    0.36389   0.36776   0.37165   0.37309   0.38074
     Eigenvalues ---    0.39015   0.40581   0.41533   0.42032   0.42389
     Eigenvalues ---    0.42750   0.43412   0.43478   0.45182   0.45691
     Eigenvalues ---    0.46461   0.47094   0.47095   0.47217   0.47350
     Eigenvalues ---    0.47779   0.48256   0.49642   0.49891   0.50401
     Eigenvalues ---    0.50576   0.50862   0.51219   0.51707   0.52040
     Eigenvalues ---    0.52120   0.52290   0.52640   0.53101   0.53236
     Eigenvalues ---    0.53335   0.53789   0.54289   0.54344   0.54738
     Eigenvalues ---    0.55051   0.55302   0.55616   0.55698   0.55961
     Eigenvalues ---    0.56140   0.56192   0.56464   0.56617   0.56706
     Eigenvalues ---    0.56933   0.57156   0.57403   0.57898   0.58213
     Eigenvalues ---    0.58240   0.58289   0.58348   0.58501   0.58677
     Eigenvalues ---    0.58855   0.58918   0.59398   0.59684   0.59803
     Eigenvalues ---    0.60014   0.60551   0.60882   0.61399   0.62013
     Eigenvalues ---    0.63217   0.63444   0.64193   0.64879   0.65124
     Eigenvalues ---    0.65796   0.66684   0.67770   0.68839   0.72053
     Eigenvalues ---    0.72735   0.74475   0.76537   0.79951   0.80968
     Eigenvalues ---    0.84950   1.33086   6.64907
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    53   52   51   50   49   48   47   46   45   44
 RFO step:  Lambda=-9.83482512D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.47101   -1.39046   -0.08056    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00071239 RMS(Int)=  0.00000006
 Iteration  2 RMS(Cart)=  0.00000017 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63967   0.00000   0.00001   0.00000   0.00001   2.63968
    R2        2.65436   0.00000  -0.00001  -0.00000  -0.00001   2.65435
    R3        2.67520  -0.00000   0.00000  -0.00000  -0.00000   2.67519
    R4        2.64596  -0.00000  -0.00000  -0.00000  -0.00001   2.64595
    R5        2.04662   0.00000   0.00001  -0.00000   0.00000   2.04662
    R6        2.66487  -0.00000  -0.00000   0.00000  -0.00000   2.66487
    R7        2.78817  -0.00000   0.00002   0.00001   0.00002   2.78819
    R8        2.64807  -0.00000  -0.00001  -0.00000  -0.00002   2.64805
    R9        2.78036   0.00000   0.00004  -0.00000   0.00004   2.78040
   R10        2.62095   0.00000   0.00001   0.00000   0.00001   2.62096
   R11        2.04809   0.00000   0.00000   0.00000   0.00000   2.04809
   R12        2.04881   0.00000   0.00000  -0.00000   0.00000   2.04881
   R13        2.67759   0.00000  -0.00001   0.00001  -0.00000   2.67759
   R14        2.64539  -0.00000   0.00001  -0.00001  -0.00000   2.64539
   R15        2.83612  -0.00002   0.00016  -0.00006   0.00010   2.83621
   R16        2.64667   0.00001  -0.00003   0.00001  -0.00002   2.64665
   R17        2.84324  -0.00002   0.00017  -0.00005   0.00012   2.84336
   R18        2.69320  -0.00002   0.00021  -0.00008   0.00013   2.69334
   R19        2.43392   0.00001  -0.00006   0.00001  -0.00005   2.43387
   R20        2.63760   0.00000  -0.00000   0.00000   0.00000   2.63761
   R21        2.04598   0.00000   0.00000  -0.00000   0.00000   2.04598
   R22        2.64428   0.00001  -0.00001   0.00001  -0.00001   2.64427
   R23        2.67488  -0.00001   0.00001  -0.00001  -0.00000   2.67488
   R24        2.62377  -0.00000   0.00002  -0.00001   0.00001   2.62378
   R25        2.04859  -0.00000   0.00000  -0.00000   0.00000   2.04860
   R26        2.04112   0.00000  -0.00001   0.00001   0.00000   2.04113
   R27        2.69800  -0.00002   0.00002  -0.00002  -0.00000   2.69800
   R28        3.33180  -0.00002  -0.00015   0.00001  -0.00014   3.33166
   R29        2.67200   0.00000  -0.00002   0.00000  -0.00002   2.67198
   R30        2.65344   0.00000  -0.00000   0.00000   0.00000   2.65345
   R31        2.61471   0.00001   0.00009  -0.00001   0.00009   2.61479
   R32        2.65229   0.00000  -0.00003   0.00001  -0.00002   2.65227
   R33        2.62559  -0.00001   0.00002  -0.00001   0.00001   2.62560
   R34        2.03734   0.00000   0.00000  -0.00000  -0.00000   2.03734
   R35        2.65083   0.00001  -0.00002   0.00001  -0.00001   2.65082
   R36        2.04947  -0.00000   0.00000  -0.00000   0.00000   2.04947
   R37        2.62503  -0.00000   0.00001  -0.00000   0.00001   2.62504
   R38        2.67985  -0.00001   0.00002  -0.00002  -0.00000   2.67985
   R39        2.04790  -0.00000  -0.00000  -0.00000  -0.00000   2.04790
   R40        2.65159   0.00000   0.00000   0.00000   0.00000   2.65159
   R41        2.65179   0.00000  -0.00000   0.00000  -0.00000   2.65179
   R42        2.65025   0.00000  -0.00000   0.00001   0.00000   2.65026
   R43        2.64962   0.00000  -0.00001   0.00001  -0.00000   2.64961
   R44        2.64723   0.00000  -0.00004   0.00001  -0.00002   2.64720
   R45        2.64593   0.00001  -0.00001   0.00001   0.00001   2.64594
   R46        2.67831  -0.00000   0.00000  -0.00000   0.00000   2.67831
   R47        2.64058   0.00000  -0.00000  -0.00000  -0.00000   2.64058
   R48        2.73714   0.00000  -0.00000  -0.00000  -0.00000   2.73714
   R49        2.64480   0.00000  -0.00000  -0.00000  -0.00000   2.64480
   R50        2.67936  -0.00000   0.00000  -0.00000  -0.00000   2.67936
   R51        2.64458  -0.00000   0.00000  -0.00000  -0.00000   2.64458
   R52        2.64148  -0.00000  -0.00000  -0.00000  -0.00000   2.64147
   R53        2.67846  -0.00000  -0.00000  -0.00000  -0.00000   2.67846
   R54        2.64101   0.00000   0.00000  -0.00000  -0.00000   2.64101
   R55        2.73665  -0.00000  -0.00000  -0.00000  -0.00000   2.73665
   R56        2.64454   0.00000   0.00000  -0.00000   0.00000   2.64454
   R57        2.67870  -0.00000   0.00000  -0.00000  -0.00000   2.67870
   R58        2.64457   0.00000   0.00000   0.00000   0.00000   2.64457
   R59        2.64121   0.00000   0.00000   0.00000   0.00000   2.64122
   R60        2.67969  -0.00000   0.00001  -0.00000   0.00000   2.67970
   R61        2.64063   0.00000   0.00000   0.00000   0.00000   2.64063
   R62        2.73662   0.00000  -0.00000  -0.00000  -0.00000   2.73662
   R63        2.64507  -0.00000   0.00000  -0.00000   0.00000   2.64507
   R64        2.67996  -0.00000   0.00000  -0.00000   0.00000   2.67996
   R65        2.64486   0.00000   0.00000  -0.00000   0.00000   2.64486
   R66        2.64100   0.00000  -0.00000  -0.00000  -0.00000   2.64100
   R67        2.62990   0.00000  -0.00000   0.00000  -0.00000   2.62990
   R68        2.05259   0.00000   0.00000  -0.00000   0.00000   2.05259
   R69        2.65486  -0.00000   0.00000  -0.00000  -0.00000   2.65486
   R70        2.05138   0.00000   0.00000  -0.00000   0.00000   2.05138
   R71        2.63352   0.00000  -0.00000   0.00000  -0.00000   2.63352
   R72        2.05241   0.00000   0.00000   0.00000   0.00000   2.05242
   R73        2.04891  -0.00000   0.00000  -0.00000  -0.00000   2.04891
   R74        2.63284  -0.00000  -0.00000   0.00000  -0.00000   2.63284
   R75        2.04902  -0.00000   0.00000  -0.00000   0.00000   2.04902
   R76        2.65525  -0.00000  -0.00000  -0.00000  -0.00000   2.65525
   R77        2.05214   0.00000   0.00000  -0.00000   0.00000   2.05214
   R78        2.62964  -0.00000  -0.00000  -0.00000  -0.00000   2.62964
   R79        2.05145  -0.00000   0.00000  -0.00000   0.00000   2.05145
   R80        2.05263  -0.00000   0.00000  -0.00000   0.00000   2.05263
   R81        2.62977  -0.00000  -0.00000  -0.00000  -0.00000   2.62977
   R82        2.05265   0.00000   0.00000   0.00000   0.00000   2.05265
   R83        2.65443   0.00000   0.00000   0.00000   0.00000   2.65443
   R84        2.05138   0.00000   0.00000   0.00000   0.00000   2.05138
   R85        2.63277  -0.00000  -0.00000  -0.00000  -0.00000   2.63277
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   D87        0.66170   0.00004   0.00017  -0.00002   0.00015   0.66184
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   D212      -3.14050  -0.00000  -0.00000  -0.00000  -0.00000  -3.14051
   D213      -3.12493   0.00000  -0.00000   0.00002   0.00002  -3.12491
   D214       0.01258   0.00000   0.00001   0.00001   0.00002   0.01260
   D215       0.00061  -0.00000  -0.00004  -0.00001  -0.00004   0.00057
   D216       3.11394  -0.00000   0.00004  -0.00002   0.00001   3.11395
   D217      -3.13090  -0.00000  -0.00007   0.00001  -0.00006  -3.13097
   D218      -0.01758  -0.00000   0.00001  -0.00001  -0.00000  -0.01758
   D219      -3.12291   0.00000  -0.00003   0.00002  -0.00001  -3.12292
   D220       0.01351   0.00000  -0.00003   0.00001  -0.00002   0.01349
   D221       0.00536   0.00000   0.00001   0.00000   0.00001   0.00537
   D222      -3.14140   0.00000   0.00001  -0.00000   0.00000  -3.14140
   D223       3.12395  -0.00000   0.00007  -0.00001   0.00006   3.12402
   D224      -0.00918   0.00000   0.00007  -0.00000   0.00007  -0.00911
   D225       0.01698   0.00000  -0.00002   0.00001  -0.00001   0.01698
   D226      -3.11615   0.00000  -0.00002   0.00002  -0.00000  -3.11615
   D227       0.00970   0.00000  -0.00000   0.00001   0.00000   0.00970
   D228      -3.14060  -0.00000  -0.00001   0.00000  -0.00001  -3.14061
   D229      -3.12566   0.00000  -0.00002   0.00001  -0.00001  -3.12567
   D230       0.00722  -0.00000  -0.00002   0.00001  -0.00002   0.00720
   D231      -0.01090  -0.00000   0.00001  -0.00000   0.00001  -0.01090
   D232       3.12205  -0.00000   0.00002  -0.00001   0.00002   3.12206
   D233       3.13937   0.00000   0.00002   0.00000   0.00002   3.13939
   D234      -0.01086   0.00000   0.00003  -0.00000   0.00003  -0.01083
   D235      -0.00592   0.00000   0.00001  -0.00001   0.00000  -0.00592
   D236       3.12143  -0.00000   0.00001  -0.00001  -0.00001   3.12143
   D237      -3.13891   0.00000  -0.00001  -0.00000  -0.00001  -3.13892
   D238      -0.01156  -0.00000  -0.00001  -0.00001  -0.00002  -0.01157
   D239      -0.00571   0.00000   0.00001  -0.00001   0.00000  -0.00571
   D240       3.14126   0.00000   0.00000  -0.00000   0.00000   3.14126
   D241       3.12534  -0.00000   0.00001  -0.00001  -0.00000   3.12534
   D242      -0.01088   0.00000   0.00000  -0.00001  -0.00001  -0.01088
   D243      -0.00825  -0.00000  -0.00000   0.00000  -0.00000  -0.00825
   D244       3.14048  -0.00000  -0.00001  -0.00000  -0.00001   3.14047
   D245       3.12794  -0.00000   0.00000  -0.00000   0.00000   3.12794
   D246      -0.00651  -0.00000  -0.00000  -0.00000  -0.00001  -0.00652
   D247       0.00784   0.00000  -0.00001  -0.00000  -0.00001   0.00784
   D248      -3.12769   0.00000   0.00000   0.00000   0.00001  -3.12769
   D249      -3.14091   0.00000   0.00000   0.00000   0.00000  -3.14091
   D250       0.00674   0.00000   0.00001   0.00000   0.00001   0.00675
   D251      -0.00957  -0.00000  -0.00000   0.00000  -0.00000  -0.00957
   D252       3.13595  -0.00000  -0.00001   0.00000  -0.00001   3.13595
   D253       3.12889  -0.00000  -0.00000  -0.00000  -0.00000   3.12889
   D254      -0.00877  -0.00000  -0.00001  -0.00000  -0.00001  -0.00878
   D255       0.00750   0.00000   0.00000  -0.00000   0.00000   0.00751
   D256      -3.13689   0.00000   0.00003  -0.00001   0.00002  -3.13687
   D257      -3.13801   0.00000   0.00001   0.00000   0.00001  -3.13800
   D258       0.00078   0.00000   0.00003  -0.00000   0.00003   0.00081
   D259       0.00874   0.00000   0.00001  -0.00000   0.00001   0.00875
   D260      -3.12598  -0.00000   0.00000  -0.00000  -0.00000  -3.12598
   D261      -3.13006  -0.00000  -0.00002   0.00000  -0.00001  -3.13007
   D262       0.01840  -0.00000  -0.00002   0.00000  -0.00002   0.01838
   D263       0.00634  -0.00000   0.00000   0.00000   0.00000   0.00635
   D264      -3.14020  -0.00000   0.00000   0.00000   0.00000  -3.14020
   D265      -3.12415  -0.00000  -0.00001   0.00000  -0.00000  -3.12415
   D266       0.01249  -0.00000  -0.00001   0.00000  -0.00000   0.01249
   D267       0.00964  -0.00000  -0.00000   0.00000   0.00000   0.00965
   D268      -3.13964  -0.00000   0.00000  -0.00000   0.00000  -3.13964
   D269      -3.12697  -0.00000  -0.00000   0.00000   0.00000  -3.12697
   D270       0.00693  -0.00000   0.00000  -0.00000   0.00000   0.00693
   D271      -0.00906   0.00000   0.00000  -0.00000  -0.00000  -0.00906
   D272       3.12590   0.00000  -0.00000  -0.00000  -0.00000   3.12590
   D273       3.14025   0.00000  -0.00000  -0.00000  -0.00000   3.14025
   D274      -0.00797   0.00000  -0.00001   0.00000  -0.00000  -0.00798
   D275       0.00662   0.00000  -0.00001   0.00001  -0.00001   0.00661
   D276      -3.14072   0.00000   0.00000  -0.00000   0.00000  -3.14072
   D277      -3.12979  -0.00000  -0.00001   0.00001  -0.00000  -3.12979
   D278       0.00605  -0.00000   0.00000   0.00000   0.00001   0.00606
   D279      -0.00708  -0.00000   0.00000  -0.00001  -0.00000  -0.00708
   D280       3.13021  -0.00000   0.00001  -0.00001  -0.00000   3.13021
   D281       3.14025  -0.00000  -0.00001   0.00000  -0.00001   3.14024
   D282      -0.00565  -0.00000  -0.00001  -0.00000  -0.00001  -0.00566
   D283      -0.00471  -0.00000   0.00001  -0.00000   0.00001  -0.00470
   D284       3.12846  -0.00000   0.00002  -0.00001   0.00001   3.12846
   D285       3.14117   0.00000   0.00001   0.00000   0.00001   3.14118
   D286      -0.00885  -0.00000   0.00001  -0.00000   0.00001  -0.00884
   D287      -0.00355  -0.00000  -0.00001  -0.00000  -0.00001  -0.00356
   D288       3.13951   0.00000  -0.00000  -0.00000  -0.00000   3.13951
   D289       3.13441  -0.00000   0.00001  -0.00001   0.00000   3.13441
   D290      -0.00572   0.00000   0.00002  -0.00001   0.00001  -0.00571
   D291      -0.00613  -0.00000   0.00001  -0.00000   0.00001  -0.00612
   D292       3.13873  -0.00000   0.00000  -0.00000   0.00000   3.13873
   D293       3.13399  -0.00000  -0.00000  -0.00000  -0.00000   3.13398
   D294      -0.00433  -0.00000  -0.00001  -0.00000  -0.00001  -0.00434
   D295       0.00520   0.00000   0.00000  -0.00000   0.00000   0.00520
   D296      -3.13230   0.00000  -0.00001   0.00001  -0.00000  -3.13230
   D297      -3.13968   0.00000   0.00001  -0.00000   0.00001  -3.13967
   D298       0.00601   0.00000   0.00000   0.00001   0.00001   0.00602
   D299       1.78437  -0.00010  -0.00046   0.00010  -0.00036   1.78402
   D300      -0.47152  -0.00002  -0.00046   0.00009  -0.00036  -0.47189
   D301      -2.70990  -0.00005  -0.00038   0.00006  -0.00032  -2.71021
   D302       3.10332  -0.00002  -0.00003  -0.00011  -0.00014   3.10318
   D303      -1.01340  -0.00001  -0.00002  -0.00012  -0.00014  -1.01354
   D304       1.21518   0.00002  -0.00010  -0.00012  -0.00023   1.21495
   D305      -2.13551   0.00000   0.00040  -0.00026   0.00013  -2.13538
   D306       0.01061  -0.00000   0.00044  -0.00022   0.00022   0.01083
   D307       2.04868  -0.00000   0.00042  -0.00023   0.00018   2.04886
   D308       1.53994  -0.00000   0.00025  -0.00055  -0.00031   1.53963
   D309      -2.63687  -0.00000   0.00025  -0.00055  -0.00029  -2.63717
   D310      -0.62294  -0.00000   0.00025  -0.00058  -0.00032  -0.62326
   D311      -3.05984  -0.00004   0.00032   0.00037   0.00068  -3.05915
   D312      -0.97443  -0.00004   0.00029   0.00034   0.00063  -0.97380
   D313       1.14469  -0.00004   0.00025   0.00033   0.00059   1.14528
   D314       1.10963   0.00004   0.00025   0.00032   0.00057   1.11020
   D315      -3.08815   0.00004   0.00023   0.00029   0.00052  -3.08763
   D316      -0.96903   0.00004   0.00019   0.00028   0.00047  -0.96856
   D317      -1.03162   0.00001   0.00035   0.00034   0.00069  -1.03092
   D318       1.05379   0.00001   0.00033   0.00032   0.00064   1.05443
   D319      -3.11028   0.00001   0.00029   0.00031   0.00060  -3.10968
   D320      -1.07170   0.00008  -0.00009   0.00045   0.00036  -1.07134
   D321       1.04638   0.00005  -0.00001   0.00048   0.00046   1.04684
   D322      -3.06817   0.00006  -0.00012   0.00045   0.00034  -3.06784
   D323       3.09447   0.00000   0.00014   0.00005   0.00019   3.09466
   D324      -1.09488   0.00000   0.00012   0.00007   0.00020  -1.09468
   D325       1.01456   0.00000   0.00012   0.00007   0.00019   1.01475
   D326       1.06356  -0.00000   0.00010   0.00004   0.00014   1.06369
   D327      -3.12580  -0.00000   0.00009   0.00006   0.00015  -3.12565
   D328      -1.01636  -0.00000   0.00009   0.00005   0.00014  -1.01622
   D329      -1.05224   0.00000   0.00016   0.00006   0.00021  -1.05203
   D330       1.04159   0.00000   0.00014   0.00008   0.00022   1.04181
   D331      -3.13216   0.00000   0.00014   0.00007   0.00022  -3.13194
         Item               Value     Threshold  Converged?
 Maximum Force            0.000223     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.003608     0.001800     NO 
 RMS     Displacement     0.000712     0.001200     YES
 Predicted change in Energy=-4.911415D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.596333    3.245891    0.120936
      2          6           0       -2.754769    1.865288    0.262517
      3          6           0       -1.650376    1.005860    0.215677
      4          6           0       -0.359592    1.559667    0.089976
      5          6           0       -0.208401    2.943492   -0.070567
      6          6           0       -1.312450    3.782962   -0.069235
      7          6           0       -1.783870   -0.462991    0.175797
      8          6           0       -0.653079   -1.285750    0.403914
      9          6           0        0.629163   -0.639399    0.840567
     10          6           0        0.825282    0.690612    0.164876
     11          6           0       -2.987663   -1.054575   -0.224918
     12          6           0       -3.080842   -2.427576   -0.458012
     13          6           0       -1.936358   -3.221530   -0.324571
     14          6           0       -0.744114   -2.649624    0.098813
     15          7           0        1.790002   -1.462204    0.922993
     16          6           0        3.038391   -0.958105    0.447808
     17          6           0        3.079182    0.326639   -0.141282
     18          7           0        1.958271    1.128697   -0.263175
     19          6           0        4.231149   -1.697869    0.489017
     20          6           0        5.417699   -1.171221   -0.006154
     21          6           0        5.457393    0.103504   -0.590288
     22          6           0        4.279317    0.836163   -0.660833
     23          7           0       -3.727698    4.095898    0.160548
     24          7           0       -4.307231   -2.999004   -0.873992
     25          7           0        6.673676    0.628673   -1.096162
     26          6           0       -4.942655   -4.093971   -0.270529
     27          6           0       -6.153828   -4.357563   -0.957785
     28          6           0       -6.254158   -3.383035   -2.024640
     29          6           0       -5.101120   -2.561881   -1.943846
     30          6           0       -3.865051    5.243826    0.955694
     31          6           0       -5.137175    5.820242    0.714009
     32          6           0       -5.798722    4.986869   -0.268356
     33          6           0       -4.904910    3.933451   -0.585736
     34          6           0        7.256113    1.848447   -0.728369
     35          6           0        8.472350    2.009890   -1.439372
     36          6           0        8.629839    0.837803   -2.275172
     37          6           0        7.504073    0.008659   -2.037704
     38          6           0       -7.197341   -3.151168   -3.032167
     39          6           0       -6.978565   -2.121848   -3.942892
     40          6           0       -5.820310   -1.330909   -3.861735
     41          6           0       -4.865996   -1.539729   -2.867852
     42          6           0       -4.557131   -4.837540    0.847964
     43          6           0       -5.396186   -5.872090    1.256375
     44          6           0       -6.592197   -6.158543    0.576818
     45          6           0       -6.978117   -5.403080   -0.526238
     46          6           0       -7.045425    5.049912   -0.900973
     47          6           0       -7.381743    4.076193   -1.836572
     48          6           0       -6.478204    3.048148   -2.152510
     49          6           0       -5.230155    2.964451   -1.539014
     50          6           0       -2.984250    5.785605    1.895824
     51          6           0       -3.386114    6.934583    2.573704
     52          6           0       -4.635460    7.529700    2.331853
     53          6           0       -5.516064    6.974631    1.408435
     54          6           0        9.602536    0.432105   -3.196122
     55          6           0        9.440311   -0.776980   -3.865870
     56          6           0        8.311339   -1.579298   -3.628971
     57          6           0        7.328392   -1.199705   -2.717525
     58          6           0        6.816498    2.799340    0.196382
     59          6           0        7.607685    3.929819    0.388273
     60          6           0        8.809443    4.112174   -0.316827
     61          6           0        9.247591    3.155952   -1.227880
     62          8           0        0.480037   -3.049941    2.732030
     63         15           0        1.779191   -2.787472    2.085682
     64          8           0        3.011273   -2.510984    3.071095
     65          8           0        2.365039   -3.943798    1.132232
     66          6           0        2.818434   -1.949552    4.412302
     67          6           0        3.616965   -0.668464    4.542794
     68          6           0        2.592947   -5.276041    1.685871
     69          6           0        1.348866   -6.139613    1.578622
     70          1           0       -3.749684    1.472475    0.432178
     71          1           0        0.791695    3.342761   -0.193135
     72          1           0       -1.193037    4.851273   -0.210335
     73          1           0       -3.863924   -0.441524   -0.393857
     74          1           0       -1.977868   -4.274528   -0.578896
     75          1           0        0.134543   -3.276707    0.135968
     76          1           0        4.249053   -2.689526    0.911652
     77          1           0        6.328698   -1.755605    0.063036
     78          1           0        4.249464    1.815443   -1.124006
     79          1           0       -8.085912   -3.771644   -3.104633
     80          1           0       -7.703604   -1.931949   -4.728173
     81          1           0       -5.657732   -0.543867   -4.592304
     82          1           0       -3.966586   -0.935724   -2.825340
     83          1           0       -3.643542   -4.614220    1.387573
     84          1           0       -5.118644   -6.465015    2.122797
     85          1           0       -7.222435   -6.972632    0.921113
     86          1           0       -7.909221   -5.617113   -1.043038
     87          1           0       -7.739583    5.851497   -0.665444
     88          1           0       -8.347987    4.111451   -2.330064
     89          1           0       -6.753777    2.298268   -2.888002
     90          1           0       -4.536549    2.174271   -1.802458
     91          1           0       -2.024524    5.325793    2.102170
     92          1           0       -2.717624    7.374233    3.307935
     93          1           0       -4.916935    8.425789    2.876155
     94          1           0       -6.487911    7.426616    1.232150
     95          1           0       10.470352    1.056528   -3.388328
     96          1           0       10.188494   -1.102622   -4.581888
     97          1           0        8.197519   -2.514423   -4.169411
     98          1           0        6.454215   -1.819023   -2.549583
     99          1           0        5.893899    2.663563    0.749617
    100          1           0        7.286209    4.684166    1.100314
    101          1           0        9.400968    5.006160   -0.145395
    102          1           0       10.181064    3.293981   -1.765972
    103          1           0        1.752231   -1.788099    4.580464
    104          1           0        3.174079   -2.720887    5.101191
    105          1           0        3.538688   -0.297040    5.570010
    106          1           0        4.673358   -0.839593    4.317725
    107          1           0        3.227175    0.099575    3.870956
    108          1           0        3.417087   -5.680583    1.093534
    109          1           0        2.933939   -5.181127    2.721591
    110          1           0        1.566268   -7.143912    1.957321
    111          1           0        0.530930   -5.712631    2.163144
    112          1           0        1.030717   -6.229595    0.536012
    113         17           0        0.302659    0.112813    2.776487
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351194           0.0181730           0.0142910
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9268890035 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000008    0.000003   -0.000033 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657653     A.U. after    7 cycles
            NFock=  7  Conv=0.43D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001416   -0.000000406    0.000000149
      2        6           0.000001215   -0.000002504    0.000000042
      3        6          -0.000000284    0.000003815   -0.000001539
      4        6           0.000001969   -0.000000251    0.000006802
      5        6          -0.000000291    0.000000213   -0.000000656
      6        6           0.000001262    0.000000585   -0.000000220
      7        6          -0.000004957   -0.000002077    0.000000661
      8        6           0.000011527    0.000008593    0.000010631
      9        6           0.000001843   -0.000000340   -0.000018653
     10        6          -0.000007556   -0.000014251    0.000017788
     11        6           0.000002290    0.000004217   -0.000000670
     12        6          -0.000007874   -0.000001607   -0.000000206
     13        6           0.000004085   -0.000001759    0.000002930
     14        6          -0.000003389   -0.000004892   -0.000001704
     15        7          -0.000008911    0.000016525    0.000015196
     16        6          -0.000007123   -0.000010551   -0.000002078
     17        6          -0.000010867    0.000006130    0.000000049
     18        7           0.000012390   -0.000000169   -0.000002502
     19        6           0.000007640    0.000002523    0.000004686
     20        6          -0.000005812   -0.000006601    0.000000085
     21        6           0.000000559    0.000012622   -0.000008996
     22        6           0.000007954    0.000001511    0.000000007
     23        7           0.000002490   -0.000000263   -0.000000856
     24        7           0.000011851    0.000001996   -0.000000620
     25        7          -0.000002793   -0.000014774    0.000013388
     26        6          -0.000002544   -0.000004411   -0.000000229
     27        6           0.000001820    0.000000334    0.000000190
     28        6           0.000000058    0.000000553   -0.000001155
     29        6          -0.000006790    0.000004214    0.000000394
     30        6           0.000001077    0.000000857    0.000002362
     31        6          -0.000000506    0.000002251   -0.000002337
     32        6           0.000000489   -0.000001085    0.000001290
     33        6          -0.000002710   -0.000000532   -0.000000139
     34        6          -0.000000303    0.000010593   -0.000002840
     35        6          -0.000004369    0.000002528   -0.000001567
     36        6           0.000001169   -0.000003742    0.000000895
     37        6           0.000003841   -0.000000891   -0.000004578
     38        6          -0.000000114   -0.000000525    0.000001329
     39        6          -0.000000180    0.000001424   -0.000001014
     40        6          -0.000000673   -0.000000427   -0.000000513
     41        6           0.000000183    0.000001338    0.000000676
     42        6           0.000001317    0.000000791    0.000000993
     43        6           0.000000198    0.000000155    0.000000058
     44        6           0.000000081   -0.000000181   -0.000000206
     45        6          -0.000000693   -0.000000918    0.000000430
     46        6          -0.000001130    0.000000514   -0.000000713
     47        6          -0.000000093    0.000000497    0.000000931
     48        6          -0.000000042   -0.000000631    0.000000056
     49        6           0.000000093    0.000000381   -0.000001149
     50        6           0.000000801   -0.000000199    0.000000595
     51        6          -0.000001035    0.000000481    0.000000991
     52        6           0.000000655    0.000000268   -0.000000616
     53        6          -0.000000461   -0.000001363    0.000001410
     54        6          -0.000000746    0.000002256   -0.000001554
     55        6          -0.000000905   -0.000001212   -0.000000497
     56        6           0.000000416    0.000000404   -0.000000316
     57        6          -0.000000036   -0.000000213    0.000000681
     58        6           0.000000755   -0.000000587    0.000001445
     59        6          -0.000000163   -0.000000318   -0.000000251
     60        6           0.000000027    0.000000581   -0.000000461
     61        6           0.000001437   -0.000001194    0.000001811
     62        8           0.000000172    0.000007656   -0.000004458
     63       15           0.000009326   -0.000010175    0.000004491
     64        8          -0.000012643    0.000000837    0.000005447
     65        8           0.000000902    0.000001285    0.000000253
     66        6           0.000008059   -0.000007824   -0.000004214
     67        6           0.000002857    0.000000364    0.000001463
     68        6          -0.000000375   -0.000001183   -0.000000491
     69        6           0.000001977    0.000000861    0.000002792
     70        1          -0.000000901   -0.000000119   -0.000000466
     71        1           0.000000018   -0.000000199    0.000000146
     72        1          -0.000000129   -0.000000062   -0.000000129
     73        1          -0.000001186   -0.000000090    0.000000811
     74        1           0.000000286    0.000000725   -0.000000756
     75        1           0.000000706    0.000000074   -0.000000174
     76        1          -0.000000630   -0.000000751    0.000000417
     77        1           0.000000264   -0.000000362    0.000000398
     78        1          -0.000002363    0.000000069    0.000000334
     79        1           0.000000354   -0.000000144   -0.000000370
     80        1           0.000000108    0.000000121    0.000000416
     81        1           0.000000192   -0.000000141    0.000000197
     82        1           0.000001320   -0.000000664   -0.000000864
     83        1          -0.000000948   -0.000000743   -0.000000671
     84        1          -0.000000497    0.000000124    0.000000053
     85        1           0.000000096    0.000000072   -0.000000344
     86        1          -0.000000042    0.000000508   -0.000000048
     87        1           0.000000773   -0.000000323    0.000000024
     88        1           0.000000280    0.000000009   -0.000000072
     89        1           0.000000165    0.000000210    0.000000063
     90        1          -0.000000097   -0.000000470    0.000000303
     91        1           0.000000185    0.000000176   -0.000000397
     92        1           0.000000438   -0.000000250   -0.000000219
     93        1          -0.000000246   -0.000000601    0.000000683
     94        1           0.000000368    0.000000577   -0.000000323
     95        1           0.000000285   -0.000000611    0.000000998
     96        1          -0.000000099    0.000000375    0.000000063
     97        1           0.000000111    0.000000055    0.000000152
     98        1           0.000000060   -0.000000090   -0.000000235
     99        1          -0.000000143    0.000000132    0.000000054
    100        1           0.000000102   -0.000000369    0.000000257
    101        1          -0.000000136   -0.000000037   -0.000000020
    102        1          -0.000000063   -0.000000320   -0.000000035
    103        1          -0.000000801    0.000004122   -0.000006598
    104        1          -0.000002532    0.000000979   -0.000000222
    105        1           0.000002372    0.000000271    0.000000052
    106        1          -0.000000785    0.000001732   -0.000001642
    107        1          -0.000004001   -0.000000221    0.000001166
    108        1          -0.000001928   -0.000000163   -0.000001368
    109        1           0.000000951    0.000002080    0.000000231
    110        1           0.000001025   -0.000000114   -0.000000046
    111        1          -0.000001546   -0.000000637   -0.000002389
    112        1          -0.000001548   -0.000000489   -0.000000140
    113       17           0.000003157   -0.000006539   -0.000024690
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024690 RMS     0.000004004

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000127652 RMS     0.000008598
 Search for a local minimum.
 Step number  54 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53   54
 DE= -6.22D-08 DEPred=-4.91D-08 R= 1.27D+00
 Trust test= 1.27D+00 RLast= 3.19D-03 DXMaxT set to 2.26D-01
 ITU=  0  0  0  0  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1 -1
 ITU=  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1 -1
 ITU=  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00103   0.00337   0.00403   0.00497   0.00585
     Eigenvalues ---    0.00629   0.00768   0.01378   0.01803   0.02042
     Eigenvalues ---    0.02352   0.02484   0.02491   0.02540   0.02545
     Eigenvalues ---    0.02561   0.02587   0.02603   0.02636   0.02670
     Eigenvalues ---    0.02680   0.02692   0.02702   0.02704   0.02715
     Eigenvalues ---    0.02727   0.02748   0.02756   0.02771   0.02784
     Eigenvalues ---    0.02797   0.02802   0.02803   0.02810   0.02814
     Eigenvalues ---    0.02824   0.02832   0.02839   0.02850   0.02853
     Eigenvalues ---    0.02865   0.02873   0.02876   0.02888   0.02895
     Eigenvalues ---    0.02899   0.02903   0.02906   0.02911   0.02914
     Eigenvalues ---    0.02917   0.02920   0.02929   0.02938   0.02945
     Eigenvalues ---    0.02946   0.02948   0.02951   0.02952   0.02954
     Eigenvalues ---    0.02955   0.02963   0.02965   0.02967   0.02971
     Eigenvalues ---    0.02979   0.02989   0.02991   0.02991   0.02995
     Eigenvalues ---    0.03002   0.03017   0.03024   0.03036   0.03051
     Eigenvalues ---    0.03058   0.03059   0.03066   0.03075   0.03081
     Eigenvalues ---    0.03085   0.03093   0.03116   0.03120   0.03135
     Eigenvalues ---    0.03151   0.03160   0.03169   0.03177   0.03185
     Eigenvalues ---    0.03205   0.03222   0.03234   0.03246   0.03285
     Eigenvalues ---    0.03370   0.03555   0.03734   0.04953   0.05130
     Eigenvalues ---    0.05422   0.05558   0.05727   0.05784   0.05897
     Eigenvalues ---    0.05930   0.06137   0.06465   0.09110   0.10202
     Eigenvalues ---    0.11815   0.12136   0.13454   0.13725   0.14193
     Eigenvalues ---    0.15019   0.15403   0.15902   0.15943   0.15968
     Eigenvalues ---    0.15982   0.15986   0.15993   0.15995   0.15997
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16004   0.16005
     Eigenvalues ---    0.16007   0.16014   0.16019   0.16028   0.16054
     Eigenvalues ---    0.16088   0.16108   0.16180   0.16252   0.18153
     Eigenvalues ---    0.19425   0.19811   0.20381   0.21675   0.21995
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22006   0.22157
     Eigenvalues ---    0.22313   0.22418   0.22443   0.22558   0.22593
     Eigenvalues ---    0.22601   0.22613   0.22631   0.22664   0.22787
     Eigenvalues ---    0.23090   0.23430   0.23451   0.23771   0.23971
     Eigenvalues ---    0.24230   0.24403   0.24474   0.24478   0.24503
     Eigenvalues ---    0.24516   0.24530   0.24612   0.24718   0.24798
     Eigenvalues ---    0.24898   0.24974   0.24976   0.24980   0.24984
     Eigenvalues ---    0.24986   0.24988   0.24999   0.25026   0.25106
     Eigenvalues ---    0.25171   0.25392   0.25872   0.26494   0.26914
     Eigenvalues ---    0.27120   0.27788   0.28585   0.28744   0.28835
     Eigenvalues ---    0.28872   0.29282   0.29352   0.29658   0.30087
     Eigenvalues ---    0.30431   0.30654   0.30707   0.30823   0.31014
     Eigenvalues ---    0.31089   0.31143   0.31262   0.31389   0.31495
     Eigenvalues ---    0.31569   0.31673   0.32135   0.32231   0.32492
     Eigenvalues ---    0.33135   0.33384   0.33543   0.33904   0.33978
     Eigenvalues ---    0.34047   0.34495   0.34667   0.34704   0.34934
     Eigenvalues ---    0.35028   0.35162   0.35344   0.35575   0.35664
     Eigenvalues ---    0.36389   0.36777   0.37166   0.37309   0.37922
     Eigenvalues ---    0.39024   0.40434   0.41532   0.42028   0.42496
     Eigenvalues ---    0.42749   0.43407   0.43459   0.45115   0.45575
     Eigenvalues ---    0.46356   0.47089   0.47096   0.47214   0.47351
     Eigenvalues ---    0.47770   0.48207   0.49637   0.49902   0.50403
     Eigenvalues ---    0.50577   0.50840   0.51165   0.51705   0.52040
     Eigenvalues ---    0.52118   0.52290   0.52638   0.53102   0.53234
     Eigenvalues ---    0.53329   0.53789   0.54289   0.54342   0.54708
     Eigenvalues ---    0.55028   0.55289   0.55618   0.55704   0.55963
     Eigenvalues ---    0.56143   0.56193   0.56462   0.56596   0.56700
     Eigenvalues ---    0.56937   0.57156   0.57376   0.57900   0.58204
     Eigenvalues ---    0.58240   0.58289   0.58348   0.58500   0.58692
     Eigenvalues ---    0.58882   0.58919   0.59397   0.59687   0.59803
     Eigenvalues ---    0.60008   0.60552   0.60882   0.61400   0.62013
     Eigenvalues ---    0.63210   0.63441   0.64166   0.64840   0.65123
     Eigenvalues ---    0.65801   0.66683   0.67769   0.68835   0.72039
     Eigenvalues ---    0.72725   0.74471   0.76152   0.80394   0.81244
     Eigenvalues ---    0.85112   1.37904   5.93909
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    54   53   52   51   50   49   48   47   46   45
 RFO step:  Lambda=-4.05669089D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.79550   -1.02318    0.22768    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00053242 RMS(Int)=  0.00000006
 Iteration  2 RMS(Cart)=  0.00000012 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63968   0.00000   0.00001   0.00000   0.00001   2.63969
    R2        2.65435   0.00000  -0.00001   0.00000  -0.00000   2.65435
    R3        2.67519  -0.00000  -0.00000  -0.00000  -0.00000   2.67519
    R4        2.64595  -0.00000  -0.00001  -0.00000  -0.00001   2.64594
    R5        2.04662   0.00000   0.00000   0.00000   0.00000   2.04662
    R6        2.66487  -0.00000  -0.00000  -0.00000  -0.00000   2.66487
    R7        2.78819  -0.00000   0.00001   0.00001   0.00002   2.78821
    R8        2.64805  -0.00000  -0.00001   0.00000  -0.00001   2.64804
    R9        2.78040  -0.00000   0.00002  -0.00001   0.00001   2.78041
   R10        2.62096  -0.00000   0.00001  -0.00000   0.00001   2.62097
   R11        2.04809  -0.00000   0.00000  -0.00000   0.00000   2.04809
   R12        2.04881  -0.00000   0.00000   0.00000   0.00000   2.04881
   R13        2.67759   0.00000  -0.00000   0.00000   0.00000   2.67759
   R14        2.64539  -0.00000  -0.00000  -0.00000  -0.00001   2.64538
   R15        2.83621  -0.00001   0.00006  -0.00001   0.00004   2.83626
   R16        2.64665   0.00000  -0.00001   0.00000  -0.00001   2.64664
   R17        2.84336  -0.00001   0.00007  -0.00004   0.00003   2.84339
   R18        2.69334  -0.00001   0.00008  -0.00003   0.00005   2.69339
   R19        2.43387   0.00001  -0.00003   0.00001  -0.00002   2.43385
   R20        2.63761   0.00000   0.00000   0.00000   0.00001   2.63761
   R21        2.04598   0.00000   0.00000   0.00000   0.00000   2.04598
   R22        2.64427   0.00000  -0.00000   0.00000   0.00000   2.64428
   R23        2.67488  -0.00001  -0.00000  -0.00001  -0.00001   2.67487
   R24        2.62378  -0.00000   0.00001  -0.00000   0.00000   2.62378
   R25        2.04860  -0.00000   0.00000  -0.00000  -0.00000   2.04860
   R26        2.04113   0.00000   0.00000   0.00000   0.00000   2.04113
   R27        2.69800  -0.00001  -0.00000  -0.00001  -0.00001   2.69799
   R28        3.33166  -0.00001  -0.00009   0.00001  -0.00008   3.33158
   R29        2.67198   0.00000  -0.00001   0.00001   0.00000   2.67198
   R30        2.65345   0.00000   0.00000   0.00001   0.00001   2.65345
   R31        2.61479  -0.00001   0.00006  -0.00003   0.00003   2.61482
   R32        2.65227   0.00000  -0.00001   0.00001   0.00000   2.65227
   R33        2.62560  -0.00000   0.00000  -0.00001  -0.00000   2.62560
   R34        2.03734   0.00000  -0.00000  -0.00000  -0.00000   2.03733
   R35        2.65082   0.00001  -0.00001   0.00001   0.00000   2.65082
   R36        2.04947   0.00000   0.00000   0.00000   0.00000   2.04947
   R37        2.62504  -0.00000   0.00001  -0.00000   0.00000   2.62504
   R38        2.67985  -0.00001  -0.00000  -0.00001  -0.00002   2.67984
   R39        2.04790   0.00000  -0.00000   0.00000   0.00000   2.04790
   R40        2.65159   0.00000   0.00000   0.00000   0.00001   2.65160
   R41        2.65179   0.00000  -0.00000   0.00001   0.00000   2.65179
   R42        2.65026   0.00000   0.00000   0.00001   0.00001   2.65027
   R43        2.64961   0.00000  -0.00000   0.00001   0.00001   2.64962
   R44        2.64720   0.00001  -0.00001   0.00002   0.00000   2.64721
   R45        2.64594   0.00000   0.00001   0.00001   0.00001   2.64595
   R46        2.67831  -0.00000  -0.00000  -0.00000  -0.00000   2.67831
   R47        2.64058   0.00000  -0.00000   0.00000   0.00000   2.64059
   R48        2.73714   0.00000  -0.00000   0.00000  -0.00000   2.73713
   R49        2.64480   0.00000  -0.00000   0.00000   0.00000   2.64480
   R50        2.67936  -0.00000  -0.00000   0.00000  -0.00000   2.67936
   R51        2.64458  -0.00000  -0.00000  -0.00000  -0.00000   2.64458
   R52        2.64147   0.00000  -0.00000   0.00000   0.00000   2.64147
   R53        2.67846   0.00000  -0.00000   0.00000   0.00000   2.67846
   R54        2.64101   0.00000  -0.00000   0.00000   0.00000   2.64101
   R55        2.73665   0.00000  -0.00000   0.00000  -0.00000   2.73664
   R56        2.64454  -0.00000   0.00000  -0.00000   0.00000   2.64454
   R57        2.67870  -0.00000  -0.00000  -0.00000  -0.00000   2.67869
   R58        2.64457   0.00000   0.00000   0.00000   0.00000   2.64457
   R59        2.64122   0.00000   0.00000   0.00000   0.00000   2.64122
   R60        2.67970  -0.00000   0.00000  -0.00000  -0.00000   2.67970
   R61        2.64063   0.00000   0.00000   0.00000   0.00000   2.64064
   R62        2.73662   0.00000  -0.00000   0.00000   0.00000   2.73662
   R63        2.64507  -0.00000   0.00000  -0.00000  -0.00000   2.64507
   R64        2.67996  -0.00000   0.00000  -0.00000  -0.00000   2.67996
   R65        2.64486  -0.00000   0.00000  -0.00000   0.00000   2.64486
   R66        2.64100   0.00000  -0.00000   0.00000  -0.00000   2.64100
   R67        2.62990   0.00000  -0.00000   0.00000   0.00000   2.62990
   R68        2.05259  -0.00000   0.00000  -0.00000  -0.00000   2.05259
   R69        2.65486  -0.00000  -0.00000  -0.00000  -0.00000   2.65486
   R70        2.05138  -0.00000   0.00000  -0.00000  -0.00000   2.05138
   R71        2.63352   0.00000   0.00000   0.00000   0.00000   2.63353
   R72        2.05242  -0.00000   0.00000  -0.00000   0.00000   2.05242
   R73        2.04891   0.00000  -0.00000   0.00000   0.00000   2.04891
   R74        2.63284   0.00000   0.00000   0.00000   0.00000   2.63284
   R75        2.04902  -0.00000   0.00000  -0.00000   0.00000   2.04902
   R76        2.65525   0.00000  -0.00000   0.00000  -0.00000   2.65525
   R77        2.05214  -0.00000   0.00000  -0.00000   0.00000   2.05214
   R78        2.62964  -0.00000  -0.00000  -0.00000  -0.00000   2.62963
   R79        2.05145  -0.00000   0.00000  -0.00000  -0.00000   2.05145
   R80        2.05263  -0.00000   0.00000  -0.00000  -0.00000   2.05263
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   D207      -0.00168   0.00000   0.00000   0.00000   0.00000  -0.00168
   D208       3.12781  -0.00000   0.00002  -0.00002  -0.00001   3.12780
   D209       3.12944  -0.00000  -0.00001  -0.00001  -0.00002   3.12942
   D210      -0.02425  -0.00000   0.00000  -0.00003  -0.00003  -0.02428
   D211       0.00517  -0.00000  -0.00000  -0.00002  -0.00002   0.00515
   D212      -3.14051  -0.00000  -0.00000  -0.00001  -0.00001  -3.14051
   D213      -3.12491  -0.00000   0.00001  -0.00001   0.00001  -3.12490
   D214       0.01260   0.00000   0.00001   0.00000   0.00002   0.01262
   D215       0.00057  -0.00000  -0.00003  -0.00001  -0.00004   0.00053
   D216       3.11395  -0.00000   0.00001  -0.00002  -0.00002   3.11394
   D217      -3.13097   0.00000  -0.00004   0.00001  -0.00003  -3.13099
   D218      -0.01758   0.00000  -0.00000  -0.00000  -0.00000  -0.01758
   D219      -3.12292   0.00000  -0.00001   0.00003   0.00002  -3.12290
   D220       0.01349   0.00000  -0.00001   0.00004   0.00003   0.01352
   D221       0.00537  -0.00000   0.00001  -0.00000   0.00001   0.00538
   D222      -3.14140   0.00000   0.00000   0.00001   0.00001  -3.14139
   D223       3.12402  -0.00000   0.00004  -0.00002   0.00002   3.12404
   D224      -0.00911  -0.00000   0.00004  -0.00001   0.00003  -0.00909
   D225       0.01698  -0.00000  -0.00000   0.00000  -0.00000   0.01698
   D226      -3.11615   0.00000   0.00000   0.00000   0.00000  -3.11615
   D227       0.00970   0.00000   0.00000   0.00001   0.00001   0.00971
   D228      -3.14061  -0.00000  -0.00001   0.00000  -0.00000  -3.14061
   D229      -3.12567   0.00000  -0.00000   0.00002   0.00002  -3.12565
   D230       0.00720   0.00000  -0.00001   0.00001   0.00000   0.00721
   D231      -0.01090  -0.00000   0.00000  -0.00001  -0.00001  -0.01091
   D232       3.12206  -0.00000   0.00001  -0.00002  -0.00001   3.12205
   D233       3.13939  -0.00000   0.00001  -0.00001   0.00000   3.13939
   D234      -0.01083  -0.00000   0.00002  -0.00002   0.00000  -0.01083
   D235      -0.00592   0.00000   0.00000   0.00000   0.00000  -0.00592
   D236       3.12143  -0.00000  -0.00001  -0.00003  -0.00003   3.12139
   D237      -3.13892   0.00000  -0.00001   0.00001   0.00000  -3.13892
   D238      -0.01157  -0.00000  -0.00001  -0.00002  -0.00003  -0.01161
   D239      -0.00571   0.00000   0.00000   0.00000   0.00000  -0.00570
   D240       3.14126   0.00000   0.00000   0.00000   0.00001   3.14126
   D241       3.12534   0.00000  -0.00000   0.00001   0.00000   3.12534
   D242      -0.01088   0.00000  -0.00000   0.00001   0.00000  -0.01088
   D243      -0.00825  -0.00000   0.00000  -0.00001  -0.00001  -0.00826
   D244       3.14047  -0.00000  -0.00001  -0.00000  -0.00001   3.14046
   D245       3.12794  -0.00000   0.00000  -0.00001  -0.00001   3.12793
   D246      -0.00652  -0.00000  -0.00000  -0.00000  -0.00001  -0.00652
   D247       0.00784   0.00000  -0.00000   0.00001   0.00000   0.00784
   D248      -3.12769   0.00000   0.00000   0.00001   0.00001  -3.12768
   D249      -3.14091   0.00000   0.00000   0.00000   0.00000  -3.14090
   D250       0.00675   0.00000   0.00001   0.00000   0.00001   0.00676
   D251      -0.00957  -0.00000  -0.00000  -0.00000  -0.00000  -0.00958
   D252       3.13595  -0.00000  -0.00000  -0.00000  -0.00001   3.13594
   D253       3.12889   0.00000  -0.00000   0.00000   0.00000   3.12889
   D254      -0.00878   0.00000  -0.00001   0.00001  -0.00000  -0.00878
   D255       0.00751  -0.00000   0.00000  -0.00001  -0.00000   0.00750
   D256      -3.13687   0.00000   0.00001  -0.00001   0.00001  -3.13686
   D257      -3.13800  -0.00000   0.00000  -0.00001  -0.00000  -3.13800
   D258       0.00081  -0.00000   0.00002  -0.00001   0.00001   0.00081
   D259       0.00875   0.00000   0.00001   0.00001   0.00001   0.00877
   D260      -3.12598  -0.00000  -0.00000  -0.00001  -0.00001  -3.12599
   D261      -3.13007   0.00000  -0.00001   0.00001   0.00000  -3.13007
   D262       0.01838  -0.00000  -0.00001  -0.00001  -0.00002   0.01836
   D263       0.00635  -0.00000   0.00000  -0.00001  -0.00000   0.00634
   D264      -3.14020  -0.00000   0.00000  -0.00000  -0.00000  -3.14020
   D265      -3.12415  -0.00000  -0.00000  -0.00000  -0.00001  -3.12416
   D266       0.01249  -0.00000  -0.00000  -0.00000  -0.00000   0.01248
   D267       0.00965  -0.00000   0.00000  -0.00000  -0.00000   0.00965
   D268      -3.13964  -0.00000  -0.00000  -0.00001  -0.00001  -3.13965
   D269      -3.12697  -0.00000   0.00000  -0.00001  -0.00000  -3.12697
   D270       0.00693  -0.00000   0.00000  -0.00001  -0.00001   0.00692
   D271      -0.00906   0.00000  -0.00000   0.00000   0.00000  -0.00906
   D272       3.12590   0.00000  -0.00000   0.00001   0.00000   3.12590
   D273       3.14025   0.00000  -0.00000   0.00001   0.00001   3.14026
   D274      -0.00798   0.00000  -0.00000   0.00002   0.00001  -0.00796
   D275       0.00661  -0.00000  -0.00000   0.00000  -0.00000   0.00661
   D276      -3.14072   0.00000  -0.00000   0.00000   0.00000  -3.14072
   D277      -3.12979  -0.00000   0.00000  -0.00001  -0.00001  -3.12980
   D278       0.00606  -0.00000   0.00000  -0.00001  -0.00000   0.00605
   D279      -0.00708   0.00000  -0.00000   0.00000  -0.00000  -0.00708
   D280       3.13021   0.00000  -0.00000   0.00000  -0.00000   3.13021
   D281       3.14024   0.00000  -0.00001   0.00000  -0.00001   3.14023
   D282      -0.00566   0.00000  -0.00001   0.00000  -0.00000  -0.00566
   D283      -0.00470  -0.00000   0.00001  -0.00000   0.00001  -0.00469
   D284       3.12846  -0.00000   0.00000  -0.00000  -0.00000   3.12846
   D285       3.14118  -0.00000   0.00001  -0.00000   0.00000   3.14118
   D286      -0.00884  -0.00000   0.00000  -0.00001  -0.00000  -0.00884
   D287      -0.00356  -0.00000  -0.00001  -0.00001  -0.00002  -0.00358
   D288       3.13951   0.00000  -0.00000  -0.00000  -0.00000   3.13951
   D289       3.13441  -0.00000  -0.00000  -0.00000  -0.00000   3.13440
   D290      -0.00571   0.00000   0.00001   0.00000   0.00001  -0.00570
   D291      -0.00612  -0.00000   0.00000  -0.00001  -0.00000  -0.00613
   D292       3.13873   0.00000   0.00000   0.00000   0.00000   3.13873
   D293       3.13398  -0.00000  -0.00000  -0.00001  -0.00001   3.13397
   D294      -0.00434  -0.00000  -0.00001  -0.00000  -0.00001  -0.00435
   D295       0.00520   0.00000   0.00000   0.00002   0.00002   0.00522
   D296      -3.13230   0.00000   0.00000   0.00001   0.00001  -3.13230
   D297      -3.13967   0.00000   0.00001   0.00001   0.00002  -3.13965
   D298       0.00602  -0.00000   0.00001  -0.00000   0.00000   0.00602
   D299       1.78402  -0.00006  -0.00022   0.00008  -0.00014   1.78387
   D300      -0.47189  -0.00001  -0.00023   0.00014  -0.00009  -0.47197
   D301      -2.71021  -0.00003  -0.00020   0.00007  -0.00013  -2.71035
   D302       3.10318  -0.00001  -0.00011  -0.00030  -0.00042   3.10276
   D303      -1.01354  -0.00001  -0.00011  -0.00035  -0.00046  -1.01400
   D304       1.21495   0.00001  -0.00017  -0.00029  -0.00046   1.21449
   D305      -2.13538   0.00000   0.00008   0.00002   0.00010  -2.13528
   D306       0.01083  -0.00001   0.00015  -0.00007   0.00008   0.01091
   D307       2.04886  -0.00000   0.00012  -0.00003   0.00009   2.04895
   D308       1.53963  -0.00000  -0.00028  -0.00025  -0.00053   1.53910
   D309      -2.63717  -0.00000  -0.00027  -0.00028  -0.00054  -2.63771
   D310      -0.62326  -0.00000  -0.00029  -0.00030  -0.00059  -0.62384
   D311      -3.05915  -0.00003   0.00050   0.00002   0.00052  -3.05863
   D312      -0.97380  -0.00003   0.00046   0.00004   0.00050  -0.97330
   D313       1.14528  -0.00003   0.00043   0.00005   0.00048   1.14576
   D314       1.11020   0.00003   0.00042   0.00010   0.00052   1.11071
   D315      -3.08763   0.00003   0.00038   0.00012   0.00050  -3.08714
   D316      -0.96856   0.00003   0.00035   0.00012   0.00047  -0.96809
   D317      -1.03092   0.00000   0.00050   0.00005   0.00055  -1.03037
   D318       1.05443   0.00000   0.00046   0.00007   0.00054   1.05497
   D319      -3.10968   0.00000   0.00043   0.00008   0.00051  -3.10916
   D320      -1.07134   0.00004   0.00027  -0.00006   0.00021  -1.07113
   D321       1.04684   0.00003   0.00035  -0.00014   0.00021   1.04705
   D322      -3.06784   0.00003   0.00026  -0.00009   0.00017  -3.06766
   D323       3.09466   0.00000   0.00013  -0.00004   0.00009   3.09475
   D324      -1.09468   0.00000   0.00014  -0.00002   0.00012  -1.09456
   D325       1.01475   0.00000   0.00013  -0.00002   0.00011   1.01486
   D326       1.06369  -0.00000   0.00009  -0.00001   0.00009   1.06378
   D327      -3.12565   0.00000   0.00010   0.00001   0.00012  -3.12553
   D328      -1.01622   0.00000   0.00010   0.00001   0.00011  -1.01611
   D329      -1.05203  -0.00000   0.00014  -0.00003   0.00012  -1.05191
   D330       1.04181   0.00000   0.00015  -0.00001   0.00015   1.04196
   D331      -3.13194  -0.00000   0.00015  -0.00001   0.00014  -3.13180
         Item               Value     Threshold  Converged?
 Maximum Force            0.000128     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.003331     0.001800     NO 
 RMS     Displacement     0.000532     0.001200     YES
 Predicted change in Energy=-2.022222D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.596474    3.245795    0.121107
      2          6           0       -2.754843    1.865167    0.262569
      3          6           0       -1.650395    1.005815    0.215796
      4          6           0       -0.359632    1.559708    0.090266
      5          6           0       -0.208504    2.943546   -0.070183
      6          6           0       -1.312605    3.782954   -0.068901
      7          6           0       -1.783782   -0.463055    0.175828
      8          6           0       -0.652954   -1.285739    0.404034
      9          6           0        0.629179   -0.639294    0.840943
     10          6           0        0.825283    0.690697    0.165172
     11          6           0       -2.987482   -1.054705   -0.225060
     12          6           0       -3.080523   -2.427700   -0.458265
     13          6           0       -1.935988   -3.221568   -0.324744
     14          6           0       -0.743840   -2.649596    0.098830
     15          7           0        1.790095   -1.462024    0.923483
     16          6           0        3.038455   -0.957930    0.448240
     17          6           0        3.079182    0.326732   -0.141036
     18          7           0        1.958238    1.128765   -0.262961
     19          6           0        4.231293   -1.697559    0.489659
     20          6           0        5.417796   -1.170918   -0.005624
     21          6           0        5.457404    0.103681   -0.590044
     22          6           0        4.279274    0.836244   -0.660699
     23          7           0       -3.727887    4.095736    0.160688
     24          7           0       -4.306811   -2.999201   -0.874426
     25          7           0        6.673643    0.628794   -1.096056
     26          6           0       -4.942247   -4.094229   -0.271070
     27          6           0       -6.153411   -4.357755   -0.958366
     28          6           0       -6.253742   -3.383112   -2.025115
     29          6           0       -5.100713   -2.561956   -1.944225
     30          6           0       -3.865387    5.243572    0.955947
     31          6           0       -5.137544    5.819907    0.714238
     32          6           0       -5.798962    4.986578   -0.268249
     33          6           0       -4.905046    3.933265   -0.585680
     34          6           0        7.255898    1.848809   -0.728766
     35          6           0        8.471947    2.010294   -1.440079
     36          6           0        8.629492    0.838002   -2.275580
     37          6           0        7.503945    0.008700   -2.037639
     38          6           0       -7.196920   -3.151148   -3.032623
     39          6           0       -6.978150   -2.121727   -3.943236
     40          6           0       -5.819898   -1.330793   -3.861994
     41          6           0       -4.865588   -1.539707   -2.868125
     42          6           0       -4.556742   -4.837903    0.847360
     43          6           0       -5.395805   -5.872492    1.255659
     44          6           0       -6.591801   -6.158887    0.576053
     45          6           0       -6.977704   -5.403317   -0.526936
     46          6           0       -7.045625    5.049595   -0.900949
     47          6           0       -7.381801    4.075952   -1.836676
     48          6           0       -6.478158    3.048011   -2.152663
     49          6           0       -5.230144    2.964348   -1.539094
     50          6           0       -2.984695    5.785327    1.896195
     51          6           0       -3.386706    6.934195    2.574176
     52          6           0       -4.636087    7.529230    2.332306
     53          6           0       -5.516580    6.974186    1.408767
     54          6           0        9.602069    0.432246   -3.196632
     55          6           0        9.439934   -0.777051   -3.866019
     56          6           0        8.311173   -1.579527   -3.628657
     57          6           0        7.328353   -1.199883   -2.717094
     58          6           0        6.816302    2.799870    0.195824
     59          6           0        7.607304    3.930561    0.387222
     60          6           0        8.808875    4.112956   -0.318188
     61          6           0        9.247015    3.156561   -1.229063
     62          8           0        0.480031   -3.049790    2.732286
     63         15           0        1.779240   -2.787349    2.086047
     64          8           0        3.011255   -2.510979    3.071582
     65          8           0        2.365178   -3.943596    1.132557
     66          6           0        2.818404   -1.949528    4.412751
     67          6           0        3.616969   -0.668449    4.543244
     68          6           0        2.593587   -5.275730    1.686200
     69          6           0        1.349543   -6.139499    1.580012
     70          1           0       -3.749760    1.472287    0.432074
     71          1           0        0.791580    3.342879   -0.192642
     72          1           0       -1.193238    4.851281   -0.209918
     73          1           0       -3.863780   -0.441716   -0.394037
     74          1           0       -1.977373   -4.274547   -0.579170
     75          1           0        0.134861   -3.276616    0.136068
     76          1           0        4.249292   -2.689117    0.912521
     77          1           0        6.328844   -1.755210    0.063717
     78          1           0        4.249321    1.815450   -1.124022
     79          1           0       -8.085481   -3.771630   -3.105165
     80          1           0       -7.703184   -1.931754   -4.728504
     81          1           0       -5.657317   -0.543678   -4.592483
     82          1           0       -3.966166   -0.935724   -2.825566
     83          1           0       -3.643165   -4.614636    1.387011
     84          1           0       -5.118281   -6.465496    2.122033
     85          1           0       -7.222041   -6.973013    0.920256
     86          1           0       -7.908802   -5.617294   -1.043770
     87          1           0       -7.739861    5.851100   -0.665379
     88          1           0       -8.348013    4.111183   -2.330232
     89          1           0       -6.753621    2.298194   -2.888261
     90          1           0       -4.536459    2.174246   -1.802570
     91          1           0       -2.024940    5.325579    2.102550
     92          1           0       -2.718300    7.373820    3.308498
     93          1           0       -4.917681    8.425228    2.876696
     94          1           0       -6.488452    7.426110    1.232465
     95          1           0       10.469724    1.056786   -3.389190
     96          1           0       10.188028   -1.102738   -4.582111
     97          1           0        8.197419   -2.514819   -4.168821
     98          1           0        6.454334   -1.819328   -2.548795
     99          1           0        5.893851    2.664064    0.749298
    100          1           0        7.285836    4.685041    1.099127
    101          1           0        9.400260    5.007107   -0.147135
    102          1           0       10.180347    3.294618   -1.767392
    103          1           0        1.752206   -1.788017    4.580894
    104          1           0        3.173995   -2.720845    5.101687
    105          1           0        3.539124   -0.297278    5.570583
    106          1           0        4.673269   -0.839532    4.317703
    107          1           0        3.226920    0.099752    3.871739
    108          1           0        3.417320   -5.680276    1.093298
    109          1           0        2.935377   -5.180620    2.721643
    110          1           0        1.567368   -7.143677    1.958790
    111          1           0        0.531927   -5.712508    2.164972
    112          1           0        1.030687   -6.229778    0.537642
    113         17           0        0.302328    0.112665    2.776467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351179           0.0181733           0.0142915
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9512367024 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000002    0.000002   -0.000024 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657655     A.U. after    6 cycles
            NFock=  6  Conv=0.72D-08     -V/T= 2.0083
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000827   -0.000001803    0.000000170
      2        6          -0.000001051    0.000000692    0.000000321
      3        6          -0.000000559   -0.000001024   -0.000000275
      4        6           0.000003707   -0.000000321    0.000000602
      5        6          -0.000000233    0.000001359   -0.000000567
      6        6           0.000000596    0.000000852    0.000000216
      7        6          -0.000002363   -0.000000017   -0.000000590
      8        6           0.000003666    0.000002264    0.000000925
      9        6          -0.000004311    0.000002534   -0.000004301
     10        6          -0.000006963   -0.000008204    0.000007996
     11        6           0.000001273    0.000001813   -0.000000254
     12        6          -0.000002452   -0.000000838   -0.000000162
     13        6           0.000001165   -0.000000409    0.000000522
     14        6          -0.000001155   -0.000001379   -0.000000223
     15        7          -0.000003058    0.000004014    0.000006019
     16        6          -0.000000010   -0.000002510    0.000000104
     17        6          -0.000009327    0.000007027   -0.000000301
     18        7           0.000012771   -0.000001402   -0.000002101
     19        6          -0.000000572    0.000000678    0.000001017
     20        6          -0.000000429   -0.000001925   -0.000001351
     21        6          -0.000001470    0.000003256   -0.000002993
     22        6           0.000002155    0.000000910    0.000001796
     23        7          -0.000000948    0.000000706    0.000000046
     24        7           0.000003738   -0.000000511    0.000000702
     25        7          -0.000000545   -0.000007052    0.000004940
     26        6          -0.000000679   -0.000001462   -0.000000772
     27        6           0.000001065    0.000000165    0.000000310
     28        6           0.000000287    0.000000827   -0.000000857
     29        6          -0.000003092    0.000002252    0.000001081
     30        6           0.000001116   -0.000000251    0.000001231
     31        6          -0.000000027    0.000001411   -0.000000726
     32        6           0.000000143   -0.000000210   -0.000000020
     33        6          -0.000000162    0.000000729   -0.000001522
     34        6           0.000000133    0.000006019   -0.000001389
     35        6          -0.000002338    0.000001776   -0.000000240
     36        6           0.000001252   -0.000002692    0.000000472
     37        6           0.000001763   -0.000000781   -0.000000759
     38        6          -0.000000447   -0.000000130    0.000000578
     39        6          -0.000000043    0.000000013   -0.000000764
     40        6          -0.000000046    0.000001190   -0.000000183
     41        6           0.000000461   -0.000000124   -0.000000749
     42        6           0.000001228    0.000000797    0.000000796
     43        6           0.000000415   -0.000000116    0.000000045
     44        6          -0.000000038    0.000000017   -0.000000249
     45        6          -0.000000467   -0.000000220    0.000000059
     46        6          -0.000000452    0.000000268    0.000000566
     47        6          -0.000000227   -0.000000340    0.000000402
     48        6          -0.000000151   -0.000000181   -0.000000609
     49        6           0.000000486   -0.000000708    0.000000949
     50        6           0.000000605   -0.000000504   -0.000000000
     51        6           0.000000113   -0.000000272    0.000000329
     52        6           0.000000375    0.000000267    0.000000010
     53        6          -0.000000491   -0.000001097    0.000000821
     54        6          -0.000000832    0.000001317   -0.000000960
     55        6           0.000000204   -0.000000129   -0.000000220
     56        6          -0.000000154    0.000000116   -0.000000207
     57        6           0.000000020    0.000000039    0.000000005
     58        6          -0.000000075   -0.000000465    0.000000011
     59        6           0.000000212    0.000000024    0.000000183
     60        6          -0.000000132   -0.000000071   -0.000000292
     61        6           0.000000935   -0.000000421    0.000000374
     62        8          -0.000001615    0.000001462   -0.000001370
     63       15           0.000006966   -0.000004032   -0.000001096
     64        8          -0.000007611    0.000000729    0.000000919
     65        8          -0.000002648    0.000004281    0.000002575
     66        6           0.000005785   -0.000000384    0.000002567
     67        6           0.000003102   -0.000001623   -0.000000481
     68        6           0.000006938   -0.000009926    0.000000144
     69        6           0.000001674    0.000002208   -0.000000251
     70        1           0.000000319   -0.000000449    0.000000182
     71        1           0.000000033   -0.000000112    0.000000254
     72        1          -0.000000308   -0.000000648   -0.000000112
     73        1          -0.000000387    0.000000374   -0.000000243
     74        1          -0.000000248    0.000000315    0.000000158
     75        1           0.000000757   -0.000000008    0.000000220
     76        1          -0.000000050   -0.000000557    0.000000077
     77        1           0.000000229    0.000000067    0.000000249
     78        1           0.000000016    0.000000165   -0.000000078
     79        1           0.000000127    0.000000032   -0.000000282
     80        1          -0.000000200    0.000000290    0.000000340
     81        1           0.000000123   -0.000000513    0.000000347
     82        1           0.000000533   -0.000000006   -0.000000018
     83        1          -0.000001336   -0.000000456   -0.000001064
     84        1          -0.000000204    0.000000160   -0.000000104
     85        1          -0.000000049    0.000000046   -0.000000111
     86        1           0.000000030    0.000000085   -0.000000122
     87        1           0.000000587   -0.000000199   -0.000000272
     88        1           0.000000152    0.000000295   -0.000000067
     89        1           0.000000200   -0.000000044    0.000000353
     90        1          -0.000000446    0.000000263    0.000000088
     91        1          -0.000000404    0.000000231   -0.000000334
     92        1           0.000000132    0.000000006    0.000000022
     93        1          -0.000000082   -0.000000202    0.000000432
     94        1           0.000000145    0.000000352   -0.000000212
     95        1           0.000000167   -0.000000396    0.000000605
     96        1          -0.000000279    0.000000140   -0.000000027
     97        1          -0.000000054    0.000000091    0.000000272
     98        1           0.000000090   -0.000000081   -0.000000093
     99        1          -0.000000098   -0.000000028    0.000000220
    100        1           0.000000014   -0.000000185   -0.000000015
    101        1           0.000000110   -0.000000035    0.000000190
    102        1          -0.000000222   -0.000000202    0.000000267
    103        1          -0.000001892    0.000000581   -0.000005858
    104        1          -0.000000986    0.000000064   -0.000002295
    105        1          -0.000000336    0.000001147    0.000000131
    106        1          -0.000000465    0.000001737    0.000000129
    107        1          -0.000001974   -0.000000731   -0.000000091
    108        1          -0.000001768    0.000000027   -0.000001327
    109        1          -0.000002507    0.000001537   -0.000000318
    110        1           0.000000126    0.000000064    0.000000308
    111        1          -0.000001259   -0.000001057   -0.000000619
    112        1          -0.000000759    0.000000132    0.000000839
    113       17           0.000004427   -0.000000769   -0.000004988
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012771 RMS     0.000002031

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000033330 RMS     0.000002585
 Search for a local minimum.
 Step number  55 out of a maximum of  678
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   33   34   35   36   37
                                                     38   39   40   41   42
                                                     43   44   45   46   47
                                                     48   49   50   51   52
                                                     53   54   55
 DE= -2.06D-08 DEPred=-2.02D-08 R= 1.02D+00
 Trust test= 1.02D+00 RLast= 2.51D-03 DXMaxT set to 2.26D-01
 ITU=  0  0  0  0  0  0  1  1  1 -1 -1  1  1 -1  1  1  1  1  1  1
 ITU= -1  1  1  1  1  1  1  1  1  1 -1  0  0  1  1  1  1  1  1  1
 ITU= -1  1  0 -1  1 -1  0  1  1  1  0  0  0  1  0
     Eigenvalues ---    0.00100   0.00323   0.00377   0.00497   0.00584
     Eigenvalues ---    0.00616   0.00764   0.01368   0.01795   0.02055
     Eigenvalues ---    0.02358   0.02483   0.02487   0.02534   0.02545
     Eigenvalues ---    0.02562   0.02587   0.02603   0.02636   0.02653
     Eigenvalues ---    0.02680   0.02684   0.02700   0.02704   0.02715
     Eigenvalues ---    0.02718   0.02743   0.02753   0.02771   0.02783
     Eigenvalues ---    0.02796   0.02802   0.02803   0.02810   0.02814
     Eigenvalues ---    0.02824   0.02826   0.02839   0.02850   0.02855
     Eigenvalues ---    0.02866   0.02873   0.02876   0.02888   0.02894
     Eigenvalues ---    0.02899   0.02903   0.02906   0.02910   0.02914
     Eigenvalues ---    0.02917   0.02920   0.02929   0.02938   0.02943
     Eigenvalues ---    0.02947   0.02949   0.02951   0.02952   0.02954
     Eigenvalues ---    0.02955   0.02963   0.02965   0.02969   0.02971
     Eigenvalues ---    0.02979   0.02988   0.02990   0.02992   0.02995
     Eigenvalues ---    0.03003   0.03017   0.03024   0.03037   0.03052
     Eigenvalues ---    0.03057   0.03060   0.03066   0.03077   0.03082
     Eigenvalues ---    0.03084   0.03095   0.03118   0.03124   0.03135
     Eigenvalues ---    0.03153   0.03159   0.03169   0.03177   0.03186
     Eigenvalues ---    0.03204   0.03223   0.03236   0.03246   0.03285
     Eigenvalues ---    0.03367   0.03554   0.03740   0.04972   0.05144
     Eigenvalues ---    0.05420   0.05573   0.05750   0.05816   0.05911
     Eigenvalues ---    0.05934   0.06162   0.06481   0.09061   0.10194
     Eigenvalues ---    0.11829   0.12152   0.13439   0.13770   0.14167
     Eigenvalues ---    0.15045   0.15459   0.15898   0.15939   0.15965
     Eigenvalues ---    0.15982   0.15987   0.15994   0.15995   0.15997
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16005   0.16005
     Eigenvalues ---    0.16006   0.16013   0.16020   0.16031   0.16054
     Eigenvalues ---    0.16080   0.16101   0.16162   0.16249   0.18179
     Eigenvalues ---    0.19453   0.19770   0.20421   0.21678   0.21996
     Eigenvalues ---    0.21999   0.22000   0.22000   0.22006   0.22162
     Eigenvalues ---    0.22318   0.22415   0.22443   0.22559   0.22593
     Eigenvalues ---    0.22601   0.22613   0.22632   0.22664   0.22794
     Eigenvalues ---    0.23074   0.23426   0.23450   0.23771   0.23989
     Eigenvalues ---    0.24241   0.24388   0.24475   0.24480   0.24501
     Eigenvalues ---    0.24520   0.24531   0.24633   0.24734   0.24795
     Eigenvalues ---    0.24899   0.24972   0.24976   0.24978   0.24982
     Eigenvalues ---    0.24985   0.24987   0.25000   0.25024   0.25101
     Eigenvalues ---    0.25166   0.25391   0.25877   0.26494   0.26962
     Eigenvalues ---    0.27113   0.27764   0.28496   0.28744   0.28849
     Eigenvalues ---    0.28937   0.29299   0.29353   0.29652   0.30095
     Eigenvalues ---    0.30436   0.30654   0.30706   0.30826   0.31018
     Eigenvalues ---    0.31090   0.31146   0.31262   0.31393   0.31505
     Eigenvalues ---    0.31561   0.31688   0.32135   0.32232   0.32498
     Eigenvalues ---    0.33136   0.33373   0.33538   0.33874   0.33974
     Eigenvalues ---    0.34037   0.34495   0.34666   0.34682   0.34932
     Eigenvalues ---    0.34974   0.35159   0.35344   0.35576   0.35641
     Eigenvalues ---    0.36388   0.36777   0.37168   0.37309   0.37841
     Eigenvalues ---    0.39023   0.40341   0.41532   0.42030   0.42740
     Eigenvalues ---    0.42954   0.43409   0.43585   0.45178   0.45659
     Eigenvalues ---    0.46388   0.47091   0.47096   0.47213   0.47423
     Eigenvalues ---    0.47774   0.48241   0.49644   0.49909   0.50408
     Eigenvalues ---    0.50575   0.50858   0.51160   0.51706   0.52046
     Eigenvalues ---    0.52118   0.52290   0.52644   0.53102   0.53234
     Eigenvalues ---    0.53337   0.53791   0.54287   0.54334   0.54656
     Eigenvalues ---    0.55034   0.55295   0.55618   0.55703   0.55980
     Eigenvalues ---    0.56140   0.56183   0.56461   0.56586   0.56701
     Eigenvalues ---    0.56938   0.57157   0.57375   0.57901   0.58220
     Eigenvalues ---    0.58249   0.58290   0.58351   0.58503   0.58688
     Eigenvalues ---    0.58912   0.58937   0.59402   0.59691   0.59803
     Eigenvalues ---    0.60012   0.60550   0.60882   0.61407   0.62014
     Eigenvalues ---    0.63204   0.63431   0.64108   0.64833   0.65123
     Eigenvalues ---    0.65793   0.66674   0.67765   0.68832   0.72016
     Eigenvalues ---    0.72707   0.74468   0.75982   0.80613   0.81215
     Eigenvalues ---    0.85157   1.44205   5.42550
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    55   54   53   52   51   50   49   48   47   46
 RFO step:  Lambda=-2.76250747D-09.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 DIIS inversion failure, remove point   3.
 RFO-DIIS uses    2 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.15918   -0.15918    0.00000    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00014182 RMS(Int)=  0.00000000
 Iteration  2 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63969  -0.00000   0.00000  -0.00000  -0.00000   2.63969
    R2        2.65435   0.00000  -0.00000   0.00000   0.00000   2.65435
    R3        2.67519   0.00000  -0.00000  -0.00000  -0.00000   2.67519
    R4        2.64594  -0.00000  -0.00000   0.00000  -0.00000   2.64594
    R5        2.04662  -0.00000   0.00000  -0.00000  -0.00000   2.04662
    R6        2.66487   0.00000  -0.00000   0.00000   0.00000   2.66487
    R7        2.78821  -0.00000   0.00000  -0.00000  -0.00000   2.78821
    R8        2.64804   0.00000  -0.00000   0.00000   0.00000   2.64804
    R9        2.78041  -0.00000   0.00000  -0.00000  -0.00000   2.78041
   R10        2.62097  -0.00000   0.00000  -0.00000   0.00000   2.62097
   R11        2.04809  -0.00000   0.00000  -0.00000  -0.00000   2.04809
   R12        2.04881  -0.00000   0.00000  -0.00000  -0.00000   2.04881
   R13        2.67759   0.00000   0.00000   0.00000   0.00000   2.67759
   R14        2.64538  -0.00000  -0.00000  -0.00000  -0.00000   2.64538
   R15        2.83626  -0.00000   0.00001  -0.00002  -0.00001   2.83625
   R16        2.64664   0.00000  -0.00000   0.00000   0.00000   2.64664
   R17        2.84339  -0.00001   0.00000  -0.00002  -0.00001   2.84338
   R18        2.69339   0.00000   0.00001  -0.00001  -0.00001   2.69338
   R19        2.43385   0.00001  -0.00000   0.00001   0.00001   2.43386
   R20        2.63761  -0.00000   0.00000  -0.00000   0.00000   2.63761
   R21        2.04598   0.00000   0.00000  -0.00000  -0.00000   2.04598
   R22        2.64428   0.00000   0.00000   0.00000   0.00000   2.64428
   R23        2.67487  -0.00000  -0.00000  -0.00000  -0.00001   2.67487
   R24        2.62378   0.00000   0.00000  -0.00000  -0.00000   2.62378
   R25        2.04860  -0.00000  -0.00000  -0.00000  -0.00000   2.04860
   R26        2.04113   0.00000   0.00000   0.00000   0.00000   2.04113
   R27        2.69799  -0.00000  -0.00000  -0.00000  -0.00000   2.69798
   R28        3.33158  -0.00000  -0.00001   0.00001  -0.00000   3.33158
   R29        2.67198   0.00000   0.00000   0.00000   0.00000   2.67199
   R30        2.65345  -0.00000   0.00000  -0.00000   0.00000   2.65345
   R31        2.61482  -0.00001   0.00000  -0.00001  -0.00001   2.61481
   R32        2.65227   0.00000   0.00000   0.00000   0.00000   2.65227
   R33        2.62560  -0.00000  -0.00000  -0.00000  -0.00000   2.62559
   R34        2.03733   0.00000  -0.00000   0.00000   0.00000   2.03733
   R35        2.65082   0.00000   0.00000   0.00000   0.00000   2.65082
   R36        2.04947   0.00000   0.00000  -0.00000  -0.00000   2.04947
   R37        2.62504  -0.00000   0.00000  -0.00000  -0.00000   2.62504
   R38        2.67984  -0.00000  -0.00000  -0.00000  -0.00001   2.67983
   R39        2.04790   0.00000   0.00000  -0.00000  -0.00000   2.04790
   R40        2.65160  -0.00000   0.00000   0.00000   0.00000   2.65160
   R41        2.65179  -0.00000   0.00000   0.00000   0.00000   2.65180
   R42        2.65027   0.00000   0.00000   0.00000   0.00000   2.65027
   R43        2.64962   0.00000   0.00000   0.00000   0.00000   2.64962
   R44        2.64721   0.00000   0.00000   0.00001   0.00001   2.64722
   R45        2.64595   0.00000   0.00000   0.00000   0.00001   2.64596
   R46        2.67831  -0.00000  -0.00000  -0.00000  -0.00000   2.67831
   R47        2.64059  -0.00000   0.00000  -0.00000  -0.00000   2.64059
   R48        2.73713   0.00000  -0.00000   0.00000   0.00000   2.73714
   R49        2.64480   0.00000   0.00000   0.00000   0.00000   2.64480
   R50        2.67936  -0.00000  -0.00000  -0.00000  -0.00000   2.67936
   R51        2.64458   0.00000  -0.00000   0.00000   0.00000   2.64458
   R52        2.64147   0.00000   0.00000   0.00000   0.00000   2.64148
   R53        2.67846   0.00000   0.00000   0.00000   0.00000   2.67846
   R54        2.64101  -0.00000   0.00000  -0.00000  -0.00000   2.64101
   R55        2.73664   0.00000  -0.00000   0.00000   0.00000   2.73664
   R56        2.64454  -0.00000   0.00000  -0.00000  -0.00000   2.64454
   R57        2.67869  -0.00000  -0.00000  -0.00000  -0.00000   2.67869
   R58        2.64457   0.00000   0.00000  -0.00000   0.00000   2.64457
   R59        2.64122  -0.00000   0.00000   0.00000   0.00000   2.64122
   R60        2.67970  -0.00000  -0.00000  -0.00000  -0.00000   2.67969
   R61        2.64064  -0.00000   0.00000   0.00000   0.00000   2.64064
   R62        2.73662   0.00000   0.00000   0.00000   0.00000   2.73662
   R63        2.64507  -0.00000  -0.00000  -0.00000  -0.00000   2.64507
   R64        2.67996  -0.00000  -0.00000  -0.00000  -0.00000   2.67996
   R65        2.64486  -0.00000   0.00000  -0.00000  -0.00000   2.64486
   R66        2.64100  -0.00000  -0.00000   0.00000   0.00000   2.64100
   R67        2.62990   0.00000   0.00000   0.00000   0.00000   2.62990
   R68        2.05259  -0.00000  -0.00000  -0.00000  -0.00000   2.05259
   R69        2.65486   0.00000  -0.00000   0.00000   0.00000   2.65486
   R70        2.05138  -0.00000  -0.00000   0.00000   0.00000   2.05138
   R71        2.63353   0.00000   0.00000   0.00000   0.00000   2.63353
   R72        2.05242  -0.00000   0.00000  -0.00000  -0.00000   2.05242
   R73        2.04891   0.00000   0.00000  -0.00000  -0.00000   2.04891
   R74        2.63284  -0.00000   0.00000  -0.00000   0.00000   2.63284
   R75        2.04902  -0.00000   0.00000  -0.00000  -0.00000   2.04902
   R76        2.65525   0.00000  -0.00000   0.00000   0.00000   2.65525
   R77        2.05214  -0.00000   0.00000  -0.00000  -0.00000   2.05214
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   D216       3.11394  -0.00000  -0.00000  -0.00002  -0.00002   3.11392
   D217      -3.13099   0.00000  -0.00000   0.00001   0.00001  -3.13098
   D218      -0.01758   0.00000  -0.00000  -0.00000  -0.00000  -0.01759
   D219      -3.12290   0.00000   0.00000   0.00002   0.00002  -3.12288
   D220       0.01352   0.00000   0.00000   0.00002   0.00003   0.01355
   D221       0.00538  -0.00000   0.00000  -0.00000  -0.00000   0.00538
   D222      -3.14139   0.00000   0.00000   0.00000   0.00000  -3.14138
   D223       3.12404  -0.00000   0.00000  -0.00001  -0.00001   3.12403
   D224      -0.00909  -0.00000   0.00000  -0.00001  -0.00001  -0.00909
   D225       0.01698  -0.00000  -0.00000   0.00000   0.00000   0.01698
   D226      -3.11615  -0.00000   0.00000   0.00001   0.00001  -3.11614
   D227       0.00971   0.00000   0.00000   0.00000   0.00000   0.00972
   D228      -3.14061   0.00000  -0.00000   0.00001   0.00000  -3.14061
   D229      -3.12565   0.00000   0.00000   0.00001   0.00001  -3.12565
   D230       0.00721   0.00000   0.00000   0.00001   0.00001   0.00721
   D231      -0.01091  -0.00000  -0.00000  -0.00000  -0.00000  -0.01091
   D232       3.12205  -0.00000  -0.00000  -0.00001  -0.00001   3.12204
   D233       3.13939  -0.00000   0.00000  -0.00000  -0.00000   3.13939
   D234      -0.01083  -0.00000   0.00000  -0.00001  -0.00001  -0.01084
   D235      -0.00592  -0.00000   0.00000  -0.00001  -0.00001  -0.00593
   D236       3.12139  -0.00000  -0.00001  -0.00000  -0.00001   3.12138
   D237      -3.13892  -0.00000   0.00000  -0.00000  -0.00000  -3.13892
   D238      -0.01161  -0.00000  -0.00000   0.00000  -0.00000  -0.01161
   D239      -0.00570  -0.00000   0.00000  -0.00000  -0.00000  -0.00571
   D240       3.14126   0.00000   0.00000  -0.00000   0.00000   3.14126
   D241       3.12534   0.00000   0.00000  -0.00000  -0.00000   3.12534
   D242      -0.01088   0.00000   0.00000   0.00000   0.00000  -0.01088
   D243      -0.00826  -0.00000  -0.00000   0.00000  -0.00000  -0.00827
   D244       3.14046   0.00000  -0.00000   0.00000  -0.00000   3.14046
   D245       3.12793  -0.00000  -0.00000  -0.00000  -0.00000   3.12793
   D246      -0.00652  -0.00000  -0.00000  -0.00000  -0.00000  -0.00653
   D247       0.00784   0.00000   0.00000   0.00000   0.00000   0.00784
   D248      -3.12768   0.00000   0.00000   0.00000   0.00000  -3.12767
   D249      -3.14090  -0.00000   0.00000   0.00000   0.00000  -3.14090
   D250       0.00676  -0.00000   0.00000  -0.00000   0.00000   0.00676
   D251      -0.00958   0.00000  -0.00000  -0.00000  -0.00000  -0.00958
   D252       3.13594   0.00000  -0.00000   0.00000   0.00000   3.13594
   D253       3.12889   0.00000   0.00000  -0.00000  -0.00000   3.12889
   D254      -0.00878   0.00000  -0.00000   0.00000   0.00000  -0.00878
   D255       0.00750  -0.00000  -0.00000  -0.00000  -0.00000   0.00750
   D256      -3.13686  -0.00000   0.00000  -0.00001  -0.00000  -3.13687
   D257      -3.13800  -0.00000  -0.00000  -0.00000  -0.00000  -3.13801
   D258       0.00081  -0.00000   0.00000  -0.00001  -0.00001   0.00081
   D259       0.00877  -0.00000   0.00000  -0.00000  -0.00000   0.00877
   D260      -3.12599  -0.00000  -0.00000   0.00000   0.00000  -3.12599
   D261      -3.13007   0.00000   0.00000   0.00000   0.00000  -3.13007
   D262       0.01836   0.00000  -0.00000   0.00001   0.00000   0.01836
   D263       0.00634  -0.00000  -0.00000   0.00000   0.00000   0.00634
   D264      -3.14020  -0.00000  -0.00000   0.00000   0.00000  -3.14020
   D265      -3.12416  -0.00000  -0.00000   0.00000   0.00000  -3.12416
   D266       0.01248  -0.00000  -0.00000   0.00000   0.00000   0.01248
   D267       0.00965  -0.00000  -0.00000  -0.00000  -0.00000   0.00964
   D268      -3.13965  -0.00000  -0.00000  -0.00000  -0.00000  -3.13966
   D269      -3.12697  -0.00000  -0.00000   0.00000  -0.00000  -3.12697
   D270       0.00692  -0.00000  -0.00000  -0.00000  -0.00000   0.00691
   D271      -0.00906   0.00000   0.00000  -0.00000  -0.00000  -0.00906
   D272       3.12590   0.00000   0.00000   0.00000   0.00000   3.12591
   D273       3.14026   0.00000   0.00000  -0.00000   0.00000   3.14026
   D274      -0.00796   0.00000   0.00000   0.00000   0.00001  -0.00796
   D275       0.00661   0.00000  -0.00000   0.00000   0.00000   0.00661
   D276      -3.14072  -0.00000   0.00000  -0.00000  -0.00000  -3.14072
   D277      -3.12980  -0.00000  -0.00000   0.00000  -0.00000  -3.12980
   D278       0.00605  -0.00000  -0.00000  -0.00000  -0.00000   0.00605
   D279      -0.00708   0.00000  -0.00000  -0.00000  -0.00000  -0.00709
   D280       3.13021   0.00000  -0.00000  -0.00000  -0.00000   3.13020
   D281       3.14023   0.00000  -0.00000   0.00000   0.00000   3.14024
   D282      -0.00566   0.00000  -0.00000   0.00000   0.00000  -0.00566
   D283      -0.00469   0.00000   0.00000  -0.00000  -0.00000  -0.00470
   D284       3.12846  -0.00000  -0.00000  -0.00001  -0.00001   3.12846
   D285       3.14118  -0.00000   0.00000  -0.00000   0.00000   3.14118
   D286      -0.00884  -0.00000  -0.00000  -0.00000  -0.00000  -0.00885
   D287      -0.00358  -0.00000  -0.00000   0.00000  -0.00000  -0.00358
   D288       3.13951   0.00000  -0.00000   0.00000  -0.00000   3.13950
   D289       3.13440  -0.00000  -0.00000  -0.00001  -0.00001   3.13440
   D290      -0.00570  -0.00000   0.00000  -0.00001  -0.00001  -0.00570
   D291      -0.00613   0.00000  -0.00000  -0.00000  -0.00000  -0.00613
   D292       3.13873   0.00000   0.00000   0.00000   0.00000   3.13874
   D293       3.13397  -0.00000  -0.00000  -0.00000  -0.00000   3.13397
   D294      -0.00435   0.00000  -0.00000   0.00000   0.00000  -0.00435
   D295       0.00522   0.00000   0.00000   0.00000   0.00000   0.00522
   D296      -3.13230   0.00000   0.00000   0.00000   0.00000  -3.13229
   D297      -3.13965   0.00000   0.00000  -0.00000   0.00000  -3.13965
   D298       0.00602  -0.00000   0.00000   0.00000   0.00000   0.00602
   D299       1.78387  -0.00002  -0.00002  -0.00001  -0.00003   1.78384
   D300      -0.47197  -0.00001  -0.00001   0.00001  -0.00000  -0.47198
   D301      -2.71035  -0.00001  -0.00002   0.00000  -0.00002  -2.71037
   D302       3.10276  -0.00000  -0.00007  -0.00001  -0.00007   3.10269
   D303      -1.01400  -0.00000  -0.00007  -0.00000  -0.00007  -1.01407
   D304       1.21449   0.00000  -0.00007   0.00002  -0.00006   1.21444
   D305      -2.13528  -0.00000   0.00002  -0.00005  -0.00003  -2.13531
   D306       0.01091  -0.00001   0.00001  -0.00008  -0.00006   0.01085
   D307       2.04895  -0.00001   0.00001  -0.00007  -0.00005   2.04890
   D308       1.53910  -0.00000  -0.00008  -0.00004  -0.00013   1.53897
   D309      -2.63771  -0.00000  -0.00009  -0.00004  -0.00013  -2.63784
   D310      -0.62384   0.00000  -0.00009  -0.00002  -0.00012  -0.62396
   D311      -3.05863  -0.00001   0.00008  -0.00000   0.00008  -3.05855
   D312      -0.97330  -0.00001   0.00008   0.00002   0.00010  -0.97320
   D313       1.14576  -0.00001   0.00008   0.00002   0.00009   1.14585
   D314       1.11071   0.00001   0.00008   0.00002   0.00010   1.11081
   D315      -3.08714   0.00001   0.00008   0.00004   0.00012  -3.08702
   D316      -0.96809   0.00001   0.00008   0.00004   0.00011  -0.96797
   D317      -1.03037  -0.00000   0.00009  -0.00000   0.00009  -1.03028
   D318       1.05497   0.00000   0.00009   0.00002   0.00011   1.05508
   D319      -3.10916   0.00000   0.00008   0.00002   0.00010  -3.10906
   D320      -1.07113   0.00001   0.00003   0.00001   0.00005  -1.07109
   D321       1.04705   0.00000   0.00003  -0.00001   0.00002   1.04708
   D322      -3.06766   0.00001   0.00003   0.00002   0.00004  -3.06762
   D323       3.09475   0.00000   0.00001   0.00003   0.00005   3.09480
   D324      -1.09456   0.00000   0.00002   0.00003   0.00005  -1.09452
   D325       1.01486   0.00000   0.00002   0.00003   0.00005   1.01490
   D326       1.06378   0.00000   0.00001   0.00003   0.00005   1.06383
   D327      -3.12553   0.00000   0.00002   0.00003   0.00005  -3.12549
   D328      -1.01611   0.00000   0.00002   0.00003   0.00004  -1.01607
   D329      -1.05191  -0.00000   0.00002   0.00001   0.00003  -1.05189
   D330       1.04196  -0.00000   0.00002   0.00000   0.00003   1.04199
   D331      -3.13180  -0.00000   0.00002   0.00000   0.00003  -3.13178
         Item               Value     Threshold  Converged?
 Maximum Force            0.000033     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.000629     0.001800     YES
 RMS     Displacement     0.000142     0.001200     YES
 Predicted change in Energy=-2.377680D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3969         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4046         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4156         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4002         -DE/DX =    0.0                 !
 ! R5    R(2,70)                 1.083          -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4102         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4755         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4013         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4713         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.387          -DE/DX =    0.0                 !
 ! R11   R(5,71)                 1.0838         -DE/DX =    0.0                 !
 ! R12   R(6,72)                 1.0842         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4169         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.3999         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.5009         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4005         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.5047         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.4253         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.2879         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3958         -DE/DX =    0.0                 !
 ! R21   R(11,73)                1.0827         -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.3993         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4155         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3884         -DE/DX =    0.0                 !
 ! R25   R(13,74)                1.0841         -DE/DX =    0.0                 !
 ! R26   R(14,75)                1.0801         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.4277         -DE/DX =    0.0                 !
 ! R28   R(15,63)                1.763          -DE/DX =    0.0                 !
 ! R29   R(16,17)                1.414          -DE/DX =    0.0                 !
 ! R30   R(16,19)                1.4041         -DE/DX =    0.0                 !
 ! R31   R(17,18)                1.3837         -DE/DX =    0.0                 !
 ! R32   R(17,22)                1.4035         -DE/DX =    0.0                 !
 ! R33   R(19,20)                1.3894         -DE/DX =    0.0                 !
 ! R34   R(19,76)                1.0781         -DE/DX =    0.0                 !
 ! R35   R(20,21)                1.4028         -DE/DX =    0.0                 !
 ! R36   R(20,77)                1.0845         -DE/DX =    0.0                 !
 ! R37   R(21,22)                1.3891         -DE/DX =    0.0                 !
 ! R38   R(21,25)                1.4181         -DE/DX =    0.0                 !
 ! R39   R(22,78)                1.0837         -DE/DX =    0.0                 !
 ! R40   R(23,30)                1.4032         -DE/DX =    0.0                 !
 ! R41   R(23,33)                1.4033         -DE/DX =    0.0                 !
 ! R42   R(24,26)                1.4025         -DE/DX =    0.0                 !
 ! R43   R(24,29)                1.4021         -DE/DX =    0.0                 !
 ! R44   R(25,34)                1.4008         -DE/DX =    0.0                 !
 ! R45   R(25,37)                1.4002         -DE/DX =    0.0                 !
 ! R46   R(26,27)                1.4173         -DE/DX =    0.0                 !
 ! R47   R(26,42)                1.3973         -DE/DX =    0.0                 !
 ! R48   R(27,28)                1.4484         -DE/DX =    0.0                 !
 ! R49   R(27,45)                1.3996         -DE/DX =    0.0                 !
 ! R50   R(28,29)                1.4179         -DE/DX =    0.0                 !
 ! R51   R(28,38)                1.3995         -DE/DX =    0.0                 !
 ! R52   R(29,41)                1.3978         -DE/DX =    0.0                 !
 ! R53   R(30,31)                1.4174         -DE/DX =    0.0                 !
 ! R54   R(30,50)                1.3976         -DE/DX =    0.0                 !
 ! R55   R(31,32)                1.4482         -DE/DX =    0.0                 !
 ! R56   R(31,53)                1.3994         -DE/DX =    0.0                 !
 ! R57   R(32,33)                1.4175         -DE/DX =    0.0                 !
 ! R58   R(32,46)                1.3994         -DE/DX =    0.0                 !
 ! R59   R(33,49)                1.3977         -DE/DX =    0.0                 !
 ! R60   R(34,35)                1.418          -DE/DX =    0.0                 !
 ! R61   R(34,58)                1.3974         -DE/DX =    0.0                 !
 ! R62   R(35,36)                1.4482         -DE/DX =    0.0                 !
 ! R63   R(35,61)                1.3997         -DE/DX =    0.0                 !
 ! R64   R(36,37)                1.4182         -DE/DX =    0.0                 !
 ! R65   R(36,54)                1.3996         -DE/DX =    0.0                 !
 ! R66   R(37,57)                1.3976         -DE/DX =    0.0                 !
 ! R67   R(38,39)                1.3917         -DE/DX =    0.0                 !
 ! R68   R(38,79)                1.0862         -DE/DX =    0.0                 !
 ! R69   R(39,40)                1.4049         -DE/DX =    0.0                 !
 ! R70   R(39,80)                1.0855         -DE/DX =    0.0                 !
 ! R71   R(40,41)                1.3936         -DE/DX =    0.0                 !
 ! R72   R(40,81)                1.0861         -DE/DX =    0.0                 !
 ! R73   R(41,82)                1.0842         -DE/DX =    0.0                 !
 ! R74   R(42,43)                1.3932         -DE/DX =    0.0                 !
 ! R75   R(42,83)                1.0843         -DE/DX =    0.0                 !
 ! R76   R(43,44)                1.4051         -DE/DX =    0.0                 !
 ! R77   R(43,84)                1.0859         -DE/DX =    0.0                 !
 ! R78   R(44,45)                1.3915         -DE/DX =    0.0                 !
 ! R79   R(44,85)                1.0856         -DE/DX =    0.0                 !
 ! R80   R(45,86)                1.0862         -DE/DX =    0.0                 !
 ! R81   R(46,47)                1.3916         -DE/DX =    0.0                 !
 ! R82   R(46,87)                1.0862         -DE/DX =    0.0                 !
 ! R83   R(47,48)                1.4047         -DE/DX =    0.0                 !
 ! R84   R(47,88)                1.0855         -DE/DX =    0.0                 !
 ! R85   R(48,49)                1.3932         -DE/DX =    0.0                 !
 ! R86   R(48,89)                1.0859         -DE/DX =    0.0                 !
 ! R87   R(49,90)                1.0839         -DE/DX =    0.0                 !
 ! R88   R(50,51)                1.3933         -DE/DX =    0.0                 !
 ! R89   R(50,91)                1.084          -DE/DX =    0.0                 !
 ! R90   R(51,52)                1.4048         -DE/DX =    0.0                 !
 ! R91   R(51,92)                1.0859         -DE/DX =    0.0                 !
 ! R92   R(52,53)                1.3915         -DE/DX =    0.0                 !
 ! R93   R(52,93)                1.0856         -DE/DX =    0.0                 !
 ! R94   R(53,94)                1.0862         -DE/DX =    0.0                 !
 ! R95   R(54,55)                1.3917         -DE/DX =    0.0                 !
 ! R96   R(54,95)                1.0863         -DE/DX =    0.0                 !
 ! R97   R(55,56)                1.4051         -DE/DX =    0.0                 !
 ! R98   R(55,96)                1.0856         -DE/DX =    0.0                 !
 ! R99   R(56,57)                1.3932         -DE/DX =    0.0                 !
 ! R100  R(56,97)                1.086          -DE/DX =    0.0                 !
 ! R101  R(57,98)                1.0844         -DE/DX =    0.0                 !
 ! R102  R(58,59)                1.3931         -DE/DX =    0.0                 !
 ! R103  R(58,99)                1.0843         -DE/DX =    0.0                 !
 ! R104  R(59,60)                1.4052         -DE/DX =    0.0                 !
 ! R105  R(59,100)               1.086          -DE/DX =    0.0                 !
 ! R106  R(60,61)                1.3915         -DE/DX =    0.0                 !
 ! R107  R(60,101)               1.0856         -DE/DX =    0.0                 !
 ! R108  R(61,102)               1.0863         -DE/DX =    0.0                 !
 ! R109  R(62,63)                1.4746         -DE/DX =    0.0                 !
 ! R110  R(63,64)                1.6017         -DE/DX =    0.0                 !
 ! R111  R(63,65)                1.6092         -DE/DX =    0.0                 !
 ! R112  R(64,66)                1.4667         -DE/DX =    0.0                 !
 ! R113  R(65,68)                1.4606         -DE/DX =    0.0                 !
 ! R114  R(66,67)                1.5152         -DE/DX =    0.0                 !
 ! R115  R(66,103)               1.0914         -DE/DX =    0.0                 !
 ! R116  R(66,104)               1.0936         -DE/DX =    0.0                 !
 ! R117  R(67,105)               1.0951         -DE/DX =    0.0                 !
 ! R118  R(67,106)               1.0936         -DE/DX =    0.0                 !
 ! R119  R(67,107)               1.0923         -DE/DX =    0.0                 !
 ! R120  R(68,69)                1.5182         -DE/DX =    0.0                 !
 ! R121  R(68,108)               1.0926         -DE/DX =    0.0                 !
 ! R122  R(68,109)               1.0945         -DE/DX =    0.0                 !
 ! R123  R(69,110)               1.0951         -DE/DX =    0.0                 !
 ! R124  R(69,111)               1.0922         -DE/DX =    0.0                 !
 ! R125  R(69,112)               1.0938         -DE/DX =    0.0                 !
 ! R126  R(103,113)              2.9951         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              119.6899         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             119.9979         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.3109         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              120.9175         -DE/DX =    0.0                 !
 ! A5    A(1,2,70)             118.5905         -DE/DX =    0.0                 !
 ! A6    A(3,2,70)             120.4779         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.9405         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.7247         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              118.1229         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.7885         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.0407         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             120.149          -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.7786         -DE/DX =    0.0                 !
 ! A14   A(4,5,71)             118.4456         -DE/DX =    0.0                 !
 ! A15   A(6,5,71)             120.7756         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              119.7556         -DE/DX =    0.0                 !
 ! A17   A(1,6,72)             119.6735         -DE/DX =    0.0                 !
 ! A18   A(5,6,72)             120.5706         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.1            -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.4144         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             119.142          -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              118.5925         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             118.5887         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             122.568          -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             111.1806         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             117.648          -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            115.4729         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             116.102          -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            119.3807         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            124.3738         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            121.3937         -DE/DX =    0.0                 !
 ! A32   A(7,11,73)            120.0897         -DE/DX =    0.0                 !
 ! A33   A(12,11,73)           118.4837         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           119.184          -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.2674         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           120.5045         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           119.8476         -DE/DX =    0.0                 !
 ! A38   A(12,13,74)           119.8311         -DE/DX =    0.0                 !
 ! A39   A(14,13,74)           120.299          -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            121.5579         -DE/DX =    0.0                 !
 ! A41   A(8,14,75)            120.3313         -DE/DX =    0.0                 !
 ! A42   A(13,14,75)           118.0267         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            119.2819         -DE/DX =    0.0                 !
 ! A44   A(9,15,63)            117.847          -DE/DX =    0.0                 !
 ! A45   A(16,15,63)           119.361          -DE/DX =    0.0                 !
 ! A46   A(15,16,17)           118.9931         -DE/DX =    0.0                 !
 ! A47   A(15,16,19)           123.1608         -DE/DX =    0.0                 !
 ! A48   A(17,16,19)           117.8012         -DE/DX =    0.0                 !
 ! A49   A(16,17,18)           122.6847         -DE/DX =    0.0                 !
 ! A50   A(16,17,22)           120.5817         -DE/DX =    0.0                 !
 ! A51   A(18,17,22)           116.7207         -DE/DX =    0.0                 !
 ! A52   A(10,18,17)           119.0898         -DE/DX =    0.0                 !
 ! A53   A(16,19,20)           121.0161         -DE/DX =    0.0                 !
 ! A54   A(16,19,76)           120.6778         -DE/DX =    0.0                 !
 ! A55   A(20,19,76)           118.3054         -DE/DX =    0.0                 !
 ! A56   A(19,20,21)           121.1338         -DE/DX =    0.0                 !
 ! A57   A(19,20,77)           119.3644         -DE/DX =    0.0                 !
 ! A58   A(21,20,77)           119.5016         -DE/DX =    0.0                 !
 ! A59   A(20,21,22)           118.4522         -DE/DX =    0.0                 !
 ! A60   A(20,21,25)           120.6198         -DE/DX =    0.0                 !
 ! A61   A(22,21,25)           120.928          -DE/DX =    0.0                 !
 ! A62   A(17,22,21)           120.9916         -DE/DX =    0.0                 !
 ! A63   A(17,22,78)           117.5605         -DE/DX =    0.0                 !
 ! A64   A(21,22,78)           121.4462         -DE/DX =    0.0                 !
 ! A65   A(1,23,30)            125.8244         -DE/DX =    0.0                 !
 ! A66   A(1,23,33)            125.8775         -DE/DX =    0.0                 !
 ! A67   A(30,23,33)           108.2979         -DE/DX =    0.0                 !
 ! A68   A(12,24,26)           125.541          -DE/DX =    0.0                 !
 ! A69   A(12,24,29)           126.0827         -DE/DX =    0.0                 !
 ! A70   A(26,24,29)           108.3721         -DE/DX =    0.0                 !
 ! A71   A(21,25,34)           125.8323         -DE/DX =    0.0                 !
 ! A72   A(21,25,37)           125.771          -DE/DX =    0.0                 !
 ! A73   A(34,25,37)           108.3935         -DE/DX =    0.0                 !
 ! A74   A(24,26,27)           108.8893         -DE/DX =    0.0                 !
 ! A75   A(24,26,42)           129.4114         -DE/DX =    0.0                 !
 ! A76   A(27,26,42)           121.6645         -DE/DX =    0.0                 !
 ! A77   A(26,27,28)           106.9314         -DE/DX =    0.0                 !
 ! A78   A(26,27,45)           119.5196         -DE/DX =    0.0                 !
 ! A79   A(28,27,45)           133.5452         -DE/DX =    0.0                 !
 ! A80   A(27,28,29)           106.9395         -DE/DX =    0.0                 !
 ! A81   A(27,28,38)           133.5066         -DE/DX =    0.0                 !
 ! A82   A(29,28,38)           119.5482         -DE/DX =    0.0                 !
 ! A83   A(24,29,28)           108.8675         -DE/DX =    0.0                 !
 ! A84   A(24,29,41)           129.5777         -DE/DX =    0.0                 !
 ! A85   A(28,29,41)           121.5089         -DE/DX =    0.0                 !
 ! A86   A(23,30,31)           108.9008         -DE/DX =    0.0                 !
 ! A87   A(23,30,50)           129.543          -DE/DX =    0.0                 !
 ! A88   A(31,30,50)           121.5138         -DE/DX =    0.0                 !
 ! A89   A(30,31,32)           106.9563         -DE/DX =    0.0                 !
 ! A90   A(30,31,53)           119.5942         -DE/DX =    0.0                 !
 ! A91   A(32,31,53)           133.4429         -DE/DX =    0.0                 !
 ! A92   A(31,32,33)           106.9474         -DE/DX =    0.0                 !
 ! A93   A(31,32,46)           133.4466         -DE/DX =    0.0                 !
 ! A94   A(33,32,46)           119.6036         -DE/DX =    0.0                 !
 ! A95   A(23,33,32)           108.8973         -DE/DX =    0.0                 !
 ! A96   A(23,33,49)           129.6578         -DE/DX =    0.0                 !
 ! A97   A(32,33,49)           121.4128         -DE/DX =    0.0                 !
 ! A98   A(25,34,35)           108.9111         -DE/DX =    0.0                 !
 ! A99   A(25,34,58)           129.4556         -DE/DX =    0.0                 !
 ! A100  A(35,34,58)           121.6128         -DE/DX =    0.0                 !
 ! A101  A(34,35,36)           106.8887         -DE/DX =    0.0                 !
 ! A102  A(34,35,61)           119.5049         -DE/DX =    0.0                 !
 ! A103  A(36,35,61)           133.6039         -DE/DX =    0.0                 !
 ! A104  A(35,36,37)           106.8719         -DE/DX =    0.0                 !
 ! A105  A(35,36,54)           133.6266         -DE/DX =    0.0                 !
 ! A106  A(37,36,54)           119.4982         -DE/DX =    0.0                 !
 ! A107  A(25,37,36)           108.9347         -DE/DX =    0.0                 !
 ! A108  A(25,37,57)           129.4511         -DE/DX =    0.0                 !
 ! A109  A(36,37,57)           121.5905         -DE/DX =    0.0                 !
 ! A110  A(28,38,39)           119.1915         -DE/DX =    0.0                 !
 ! A111  A(28,38,79)           120.3137         -DE/DX =    0.0                 !
 ! A112  A(39,38,79)           120.4939         -DE/DX =    0.0                 !
 ! A113  A(38,39,40)           120.544          -DE/DX =    0.0                 !
 ! A114  A(38,39,80)           119.8535         -DE/DX =    0.0                 !
 ! A115  A(40,39,80)           119.6006         -DE/DX =    0.0                 !
 ! A116  A(39,40,41)           121.4265         -DE/DX =    0.0                 !
 ! A117  A(39,40,81)           119.5068         -DE/DX =    0.0                 !
 ! A118  A(41,40,81)           119.0649         -DE/DX =    0.0                 !
 ! A119  A(29,41,40)           117.7634         -DE/DX =    0.0                 !
 ! A120  A(29,41,82)           121.3982         -DE/DX =    0.0                 !
 ! A121  A(40,41,82)           120.8332         -DE/DX =    0.0                 !
 ! A122  A(26,42,43)           117.621          -DE/DX =    0.0                 !
 ! A123  A(26,42,83)           121.4141         -DE/DX =    0.0                 !
 ! A124  A(43,42,83)           120.962          -DE/DX =    0.0                 !
 ! A125  A(42,43,44)           121.482          -DE/DX =    0.0                 !
 ! A126  A(42,43,84)           119.0385         -DE/DX =    0.0                 !
 ! A127  A(44,43,84)           119.4788         -DE/DX =    0.0                 !
 ! A128  A(43,44,45)           120.581          -DE/DX =    0.0                 !
 ! A129  A(43,44,85)           119.5816         -DE/DX =    0.0                 !
 ! A130  A(45,44,85)           119.8362         -DE/DX =    0.0                 !
 ! A131  A(27,45,44)           119.12           -DE/DX =    0.0                 !
 ! A132  A(27,45,86)           120.3547         -DE/DX =    0.0                 !
 ! A133  A(44,45,86)           120.5244         -DE/DX =    0.0                 !
 ! A134  A(32,46,47)           119.1891         -DE/DX =    0.0                 !
 ! A135  A(32,46,87)           120.3004         -DE/DX =    0.0                 !
 ! A136  A(47,46,87)           120.5102         -DE/DX =    0.0                 !
 ! A137  A(46,47,48)           120.5216         -DE/DX =    0.0                 !
 ! A138  A(46,47,88)           119.8696         -DE/DX =    0.0                 !
 ! A139  A(48,47,88)           119.6085         -DE/DX =    0.0                 !
 ! A140  A(47,48,49)           121.4095         -DE/DX =    0.0                 !
 ! A141  A(47,48,89)           119.637          -DE/DX =    0.0                 !
 ! A142  A(49,48,89)           118.9534         -DE/DX =    0.0                 !
 ! A143  A(33,49,48)           117.8494         -DE/DX =    0.0                 !
 ! A144  A(33,49,90)           121.4851         -DE/DX =    0.0                 !
 ! A145  A(48,49,90)           120.6643         -DE/DX =    0.0                 !
 ! A146  A(30,50,51)           117.7234         -DE/DX =    0.0                 !
 ! A147  A(30,50,91)           121.4393         -DE/DX =    0.0                 !
 ! A148  A(51,50,91)           120.8342         -DE/DX =    0.0                 !
 ! A149  A(50,51,52)           121.4733         -DE/DX =    0.0                 !
 ! A150  A(50,51,92)           119.0306         -DE/DX =    0.0                 !
 ! A151  A(52,51,92)           119.4954         -DE/DX =    0.0                 !
 ! A152  A(51,52,53)           120.5353         -DE/DX =    0.0                 !
 ! A153  A(51,52,93)           119.6008         -DE/DX =    0.0                 !
 ! A154  A(53,52,93)           119.8624         -DE/DX =    0.0                 !
 ! A155  A(31,53,52)           119.1445         -DE/DX =    0.0                 !
 ! A156  A(31,53,94)           120.3286         -DE/DX =    0.0                 !
 ! A157  A(52,53,94)           120.5259         -DE/DX =    0.0                 !
 ! A158  A(36,54,55)           119.1758         -DE/DX =    0.0                 !
 ! A159  A(36,54,95)           120.3333         -DE/DX =    0.0                 !
 ! A160  A(55,54,95)           120.4903         -DE/DX =    0.0                 !
 ! A161  A(54,55,56)           120.5703         -DE/DX =    0.0                 !
 ! A162  A(54,55,96)           119.8472         -DE/DX =    0.0                 !
 ! A163  A(56,55,96)           119.5817         -DE/DX =    0.0                 !
 ! A164  A(55,56,57)           121.439          -DE/DX =    0.0                 !
 ! A165  A(55,56,97)           119.4689         -DE/DX =    0.0                 !
 ! A166  A(57,56,97)           119.0917         -DE/DX =    0.0                 !
 ! A167  A(37,57,56)           117.7178         -DE/DX =    0.0                 !
 ! A168  A(37,57,98)           121.3188         -DE/DX =    0.0                 !
 ! A169  A(56,57,98)           120.9615         -DE/DX =    0.0                 !
 ! A170  A(34,58,59)           117.6899         -DE/DX =    0.0                 !
 ! A171  A(34,58,99)           121.3412         -DE/DX =    0.0                 !
 ! A172  A(59,58,99)           120.9686         -DE/DX =    0.0                 !
 ! A173  A(58,59,60)           121.4588         -DE/DX =    0.0                 !
 ! A174  A(58,59,100)          119.0684         -DE/DX =    0.0                 !
 ! A175  A(60,59,100)          119.4727         -DE/DX =    0.0                 !
 ! A176  A(59,60,61)           120.5719         -DE/DX =    0.0                 !
 ! A177  A(59,60,101)          119.579          -DE/DX =    0.0                 !
 ! A178  A(61,60,101)          119.8488         -DE/DX =    0.0                 !
 ! A179  A(35,61,60)           119.1556         -DE/DX =    0.0                 !
 ! A180  A(35,61,102)          120.341          -DE/DX =    0.0                 !
 ! A181  A(60,61,102)          120.5029         -DE/DX =    0.0                 !
 ! A182  A(15,63,62)           115.3538         -DE/DX =    0.0                 !
 ! A183  A(15,63,64)           105.7414         -DE/DX =    0.0                 !
 ! A184  A(15,63,65)            98.4638         -DE/DX =    0.0                 !
 ! A185  A(62,63,64)           116.0242         -DE/DX =    0.0                 !
 ! A186  A(62,63,65)           116.9116         -DE/DX =    0.0                 !
 ! A187  A(64,63,65)           102.0339         -DE/DX =    0.0                 !
 ! A188  A(63,64,66)           121.8404         -DE/DX =    0.0                 !
 ! A189  A(63,65,68)           119.1891         -DE/DX =    0.0                 !
 ! A190  A(64,66,67)           109.4572         -DE/DX =    0.0                 !
 ! A191  A(64,66,103)          109.025          -DE/DX =    0.0                 !
 ! A192  A(64,66,104)          105.2665         -DE/DX =    0.0                 !
 ! A193  A(67,66,103)          112.1156         -DE/DX =    0.0                 !
 ! A194  A(67,66,104)          111.7579         -DE/DX =    0.0                 !
 ! A195  A(103,66,104)         108.9634         -DE/DX =    0.0                 !
 ! A196  A(66,67,105)          109.2622         -DE/DX =    0.0                 !
 ! A197  A(66,67,106)          111.0408         -DE/DX =    0.0                 !
 ! A198  A(66,67,107)          110.699          -DE/DX =    0.0                 !
 ! A199  A(105,67,106)         108.3709         -DE/DX =    0.0                 !
 ! A200  A(105,67,107)         108.2375         -DE/DX =    0.0                 !
 ! A201  A(106,67,107)         109.1561         -DE/DX =    0.0                 !
 ! A202  A(65,68,69)           111.3614         -DE/DX =    0.0                 !
 ! A203  A(65,68,108)          104.4721         -DE/DX =    0.0                 !
 ! A204  A(65,68,109)          109.1579         -DE/DX =    0.0                 !
 ! A205  A(69,68,108)          111.6642         -DE/DX =    0.0                 !
 ! A206  A(69,68,109)          111.8068         -DE/DX =    0.0                 !
 ! A207  A(108,68,109)         108.0658         -DE/DX =    0.0                 !
 ! A208  A(68,69,110)          109.5428         -DE/DX =    0.0                 !
 ! A209  A(68,69,111)          110.702          -DE/DX =    0.0                 !
 ! A210  A(68,69,112)          110.6393         -DE/DX =    0.0                 !
 ! A211  A(110,69,111)         108.7912         -DE/DX =    0.0                 !
 ! A212  A(110,69,112)         108.175          -DE/DX =    0.0                 !
 ! A213  A(111,69,112)         108.9312         -DE/DX =    0.0                 !
 ! A214  A(66,103,113)         118.2944         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)             -0.0934         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,70)           178.5468         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)           179.4885         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,70)           -1.8713         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)             -2.1329         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,72)           178.0785         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           178.2865         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,72)           -1.5021         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,30)          129.5774         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,33)          -50.2529         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,30)          -50.8433         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,33)          129.3264         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              3.1616         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)           -171.4451         -DE/DX =    0.0                 !
 ! D15   D(70,2,3,4)          -175.453          -DE/DX =    0.0                 !
 ! D16   D(70,2,3,7)             9.9403         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -4.0277         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           174.2784         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            170.8284         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)           -10.8656         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -167.0714         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            19.7167         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             18.2801         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -154.9318         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              1.8627         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,71)          -178.299          -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -176.4414         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,71)            3.3968         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)           -20.8006         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)          163.3632         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)           157.4992         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)          -18.3369         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              1.243          -DE/DX =    0.0                 !
 ! D34   D(4,5,6,72)          -178.9703         -DE/DX =    0.0                 !
 ! D35   D(71,5,6,1)          -178.5914         -DE/DX =    0.0                 !
 ! D36   D(71,5,6,72)            1.1952         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              7.0414         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -167.3564         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -179.6606         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            5.9416         -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          170.5429         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,73)           -7.3389         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -2.7335         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,73)          179.3847         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)           -36.9326         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -173.2921         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)          137.2296         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)            0.8701         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)           -4.7573         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,75)          171.8427         -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)         -178.9196         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,75)           -2.3197         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)            43.5035         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)         -140.8929         -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)         -179.1182         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)          -3.5146         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)          138.1081         -DE/DX =    0.0                 !
 ! D58   D(8,9,15,63)          -63.1427         -DE/DX =    0.0                 !
 ! D59   D(10,9,15,16)           3.5715         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,63)         162.3207         -DE/DX =    0.0                 !
 ! D61   D(4,10,18,17)         177.455          -DE/DX =    0.0                 !
 ! D62   D(9,10,18,17)           1.986          -DE/DX =    0.0                 !
 ! D63   D(7,11,12,13)          -1.8422         -DE/DX =    0.0                 !
 ! D64   D(7,11,12,24)        -179.4383         -DE/DX =    0.0                 !
 ! D65   D(73,11,12,13)        176.0727         -DE/DX =    0.0                 !
 ! D66   D(73,11,12,24)         -1.5234         -DE/DX =    0.0                 !
 ! D67   D(11,12,13,14)          3.1291         -DE/DX =    0.0                 !
 ! D68   D(11,12,13,74)       -175.1568         -DE/DX =    0.0                 !
 ! D69   D(24,12,13,14)       -179.2806         -DE/DX =    0.0                 !
 ! D70   D(24,12,13,74)          2.4334         -DE/DX =    0.0                 !
 ! D71   D(11,12,24,26)       -128.0737         -DE/DX =    0.0                 !
 ! D72   D(11,12,24,29)         51.0927         -DE/DX =    0.0                 !
 ! D73   D(13,12,24,26)         54.3622         -DE/DX =    0.0                 !
 ! D74   D(13,12,24,29)       -126.4714         -DE/DX =    0.0                 !
 ! D75   D(12,13,14,8)           0.2008         -DE/DX =    0.0                 !
 ! D76   D(12,13,14,75)       -176.4748         -DE/DX =    0.0                 !
 ! D77   D(74,13,14,8)         178.4786         -DE/DX =    0.0                 !
 ! D78   D(74,13,14,75)          1.803          -DE/DX =    0.0                 !
 ! D79   D(9,15,16,17)          -2.4727         -DE/DX =    0.0                 !
 ! D80   D(9,15,16,19)        -179.9799         -DE/DX =    0.0                 !
 ! D81   D(63,15,16,17)       -160.8981         -DE/DX =    0.0                 !
 ! D82   D(63,15,16,19)         21.5947         -DE/DX =    0.0                 !
 ! D83   D(9,15,63,62)           8.8385         -DE/DX =    0.0                 !
 ! D84   D(9,15,63,64)        -120.8039         -DE/DX =    0.0                 !
 ! D85   D(9,15,63,65)         134.0701         -DE/DX =    0.0                 !
 ! D86   D(16,15,63,62)        167.5704         -DE/DX =    0.0                 !
 ! D87   D(16,15,63,64)         37.9279         -DE/DX =    0.0                 !
 ! D88   D(16,15,63,65)        -67.198          -DE/DX =    0.0                 !
 ! D89   D(15,16,17,18)          0.8374         -DE/DX =    0.0                 !
 ! D90   D(15,16,17,22)       -177.8088         -DE/DX =    0.0                 !
 ! D91   D(19,16,17,18)        178.4784         -DE/DX =    0.0                 !
 ! D92   D(19,16,17,22)         -0.1678         -DE/DX =    0.0                 !
 ! D93   D(15,16,19,20)        178.9375         -DE/DX =    0.0                 !
 ! D94   D(15,16,19,76)         -1.373          -DE/DX =    0.0                 !
 ! D95   D(17,16,19,20)          1.4024         -DE/DX =    0.0                 !
 ! D96   D(17,16,19,76)       -178.908          -DE/DX =    0.0                 !
 ! D97   D(16,17,18,10)         -0.5882         -DE/DX =    0.0                 !
 ! D98   D(22,17,18,10)        178.107          -DE/DX =    0.0                 !
 ! D99   D(16,17,22,21)         -1.0616         -DE/DX =    0.0                 !
 ! D100  D(16,17,22,78)        178.4658         -DE/DX =    0.0                 !
 ! D101  D(18,17,22,21)       -179.7859         -DE/DX =    0.0                 !
 ! D102  D(18,17,22,78)         -0.2586         -DE/DX =    0.0                 !
 ! D103  D(16,19,20,21)         -1.447          -DE/DX =    0.0                 !
 ! D104  D(16,19,20,77)        178.3912         -DE/DX =    0.0                 !
 ! D105  D(76,19,20,21)        178.8562         -DE/DX =    0.0                 !
 ! D106  D(76,19,20,77)         -1.3055         -DE/DX =    0.0                 !
 ! D107  D(19,20,21,22)          0.1994         -DE/DX =    0.0                 !
 ! D108  D(19,20,21,25)       -179.7914         -DE/DX =    0.0                 !
 ! D109  D(77,20,21,22)       -179.6386         -DE/DX =    0.0                 !
 ! D110  D(77,20,21,25)          0.3706         -DE/DX =    0.0                 !
 ! D111  D(20,21,22,17)          1.0417         -DE/DX =    0.0                 !
 ! D112  D(20,21,22,78)       -178.4672         -DE/DX =    0.0                 !
 ! D113  D(25,21,22,17)       -178.9675         -DE/DX =    0.0                 !
 ! D114  D(25,21,22,78)          1.5236         -DE/DX =    0.0                 !
 ! D115  D(20,21,25,34)       -124.5497         -DE/DX =    0.0                 !
 ! D116  D(20,21,25,37)         54.725          -DE/DX =    0.0                 !
 ! D117  D(22,21,25,34)         55.4597         -DE/DX =    0.0                 !
 ! D118  D(22,21,25,37)       -125.2655         -DE/DX =    0.0                 !
 ! D119  D(1,23,30,31)        -179.9735         -DE/DX =    0.0                 !
 ! D120  D(1,23,30,50)          -2.3582         -DE/DX =    0.0                 !
 ! D121  D(33,23,30,31)         -0.1184         -DE/DX =    0.0                 !
 ! D122  D(33,23,30,50)        177.497          -DE/DX =    0.0                 !
 ! D123  D(1,23,33,32)        -179.966          -DE/DX =    0.0                 !
 ! D124  D(1,23,33,49)          -2.0407         -DE/DX =    0.0                 !
 ! D125  D(30,23,33,32)          0.1789         -DE/DX =    0.0                 !
 ! D126  D(30,23,33,49)        178.1042         -DE/DX =    0.0                 !
 ! D127  D(12,24,26,27)        179.1647         -DE/DX =    0.0                 !
 ! D128  D(12,24,26,42)          1.3205         -DE/DX =    0.0                 !
 ! D129  D(29,24,26,27)         -0.1254         -DE/DX =    0.0                 !
 ! D130  D(29,24,26,42)       -177.9697         -DE/DX =    0.0                 !
 ! D131  D(12,24,29,28)       -179.235          -DE/DX =    0.0                 !
 ! D132  D(12,24,29,41)          3.2438         -DE/DX =    0.0                 !
 ! D133  D(26,24,29,28)          0.0502         -DE/DX =    0.0                 !
 ! D134  D(26,24,29,41)       -177.4709         -DE/DX =    0.0                 !
 ! D135  D(21,25,34,35)        179.2692         -DE/DX =    0.0                 !
 ! D136  D(21,25,34,58)          0.9238         -DE/DX =    0.0                 !
 ! D137  D(37,25,34,35)         -0.1107         -DE/DX =    0.0                 !
 ! D138  D(37,25,34,58)       -178.4561         -DE/DX =    0.0                 !
 ! D139  D(21,25,37,36)       -179.3318         -DE/DX =    0.0                 !
 ! D140  D(21,25,37,57)          2.4498         -DE/DX =    0.0                 !
 ! D141  D(34,25,37,36)          0.0486         -DE/DX =    0.0                 !
 ! D142  D(34,25,37,57)       -178.1699         -DE/DX =    0.0                 !
 ! D143  D(24,26,27,28)          0.1495         -DE/DX =    0.0                 !
 ! D144  D(24,26,27,45)       -179.2323         -DE/DX =    0.0                 !
 ! D145  D(42,26,27,28)        178.1927         -DE/DX =    0.0                 !
 ! D146  D(42,26,27,45)         -1.1891         -DE/DX =    0.0                 !
 ! D147  D(24,26,42,43)        178.758          -DE/DX =    0.0                 !
 ! D148  D(24,26,42,83)         -0.6346         -DE/DX =    0.0                 !
 ! D149  D(27,26,42,43)          1.1546         -DE/DX =    0.0                 !
 ! D150  D(27,26,42,83)       -178.2381         -DE/DX =    0.0                 !
 ! D151  D(26,27,28,29)         -0.1168         -DE/DX =    0.0                 !
 ! D152  D(26,27,28,38)        178.9853         -DE/DX =    0.0                 !
 ! D153  D(45,27,28,29)        179.1411         -DE/DX =    0.0                 !
 ! D154  D(45,27,28,38)         -1.7569         -DE/DX =    0.0                 !
 ! D155  D(26,27,45,44)          0.3581         -DE/DX =    0.0                 !
 ! D156  D(26,27,45,86)       -179.9893         -DE/DX =    0.0                 !
 ! D157  D(28,27,45,44)       -178.826          -DE/DX =    0.0                 !
 ! D158  D(28,27,45,86)          0.8266         -DE/DX =    0.0                 !
 ! D159  D(27,28,29,24)          0.042          -DE/DX =    0.0                 !
 ! D160  D(27,28,29,41)        177.8012         -DE/DX =    0.0                 !
 ! D161  D(38,28,29,24)       -179.2093         -DE/DX =    0.0                 !
 ! D162  D(38,28,29,41)         -1.4502         -DE/DX =    0.0                 !
 ! D163  D(27,28,38,39)       -178.5592         -DE/DX =    0.0                 !
 ! D164  D(27,28,38,79)          1.0846         -DE/DX =    0.0                 !
 ! D165  D(29,28,38,39)          0.4534         -DE/DX =    0.0                 !
 ! D166  D(29,28,38,79)       -179.9028         -DE/DX =    0.0                 !
 ! D167  D(24,29,41,40)        178.6201         -DE/DX =    0.0                 !
 ! D168  D(24,29,41,82)         -0.5567         -DE/DX =    0.0                 !
 ! D169  D(28,29,41,40)          1.3716         -DE/DX =    0.0                 !
 ! D170  D(28,29,41,82)       -177.8052         -DE/DX =    0.0                 !
 ! D171  D(23,30,31,32)          0.0139         -DE/DX =    0.0                 !
 ! D172  D(23,30,31,53)        179.2023         -DE/DX =    0.0                 !
 ! D173  D(50,30,31,32)       -177.8292         -DE/DX =    0.0                 !
 ! D174  D(50,30,31,53)          1.3593         -DE/DX =    0.0                 !
 ! D175  D(23,30,50,51)       -178.6677         -DE/DX =    0.0                 !
 ! D176  D(23,30,50,91)          0.6927         -DE/DX =    0.0                 !
 ! D177  D(31,30,50,51)         -1.3143         -DE/DX =    0.0                 !
 ! D178  D(31,30,50,91)        178.0461         -DE/DX =    0.0                 !
 ! D179  D(30,31,32,33)          0.0941         -DE/DX =    0.0                 !
 ! D180  D(30,31,32,46)       -179.3223         -DE/DX =    0.0                 !
 ! D181  D(53,31,32,33)       -178.934          -DE/DX =    0.0                 !
 ! D182  D(53,31,32,46)          1.6496         -DE/DX =    0.0                 !
 ! D183  D(30,31,53,52)         -0.4111         -DE/DX =    0.0                 !
 ! D184  D(30,31,53,94)        179.9681         -DE/DX =    0.0                 !
 ! D185  D(32,31,53,52)        178.5198         -DE/DX =    0.0                 !
 ! D186  D(32,31,53,94)         -1.101          -DE/DX =    0.0                 !
 ! D187  D(31,32,33,23)         -0.1681         -DE/DX =    0.0                 !
 ! D188  D(31,32,33,49)       -178.2967         -DE/DX =    0.0                 !
 ! D189  D(46,32,33,23)        179.3445         -DE/DX =    0.0                 !
 ! D190  D(46,32,33,49)          1.2159         -DE/DX =    0.0                 !
 ! D191  D(31,32,46,47)        179.1041         -DE/DX =    0.0                 !
 ! D192  D(31,32,46,87)         -0.7171         -DE/DX =    0.0                 !
 ! D193  D(33,32,46,47)         -0.2538         -DE/DX =    0.0                 !
 ! D194  D(33,32,46,87)        179.9251         -DE/DX =    0.0                 !
 ! D195  D(23,33,49,48)       -179.0203         -DE/DX =    0.0                 !
 ! D196  D(23,33,49,90)          0.5847         -DE/DX =    0.0                 !
 ! D197  D(32,33,49,48)         -1.3204         -DE/DX =    0.0                 !
 ! D198  D(32,33,49,90)        178.2846         -DE/DX =    0.0                 !
 ! D199  D(25,34,35,36)          0.1278         -DE/DX =    0.0                 !
 ! D200  D(25,34,35,61)       -179.372          -DE/DX =    0.0                 !
 ! D201  D(58,34,35,36)        178.6277         -DE/DX =    0.0                 !
 ! D202  D(58,34,35,61)         -0.8721         -DE/DX =    0.0                 !
 ! D203  D(25,34,58,59)        178.9758         -DE/DX =    0.0                 !
 ! D204  D(25,34,58,99)         -0.8165         -DE/DX =    0.0                 !
 ! D205  D(35,34,58,59)          0.8139         -DE/DX =    0.0                 !
 ! D206  D(35,34,58,99)       -178.9784         -DE/DX =    0.0                 !
 ! D207  D(34,35,36,37)         -0.0963         -DE/DX =    0.0                 !
 ! D208  D(34,35,36,54)        179.2099         -DE/DX =    0.0                 !
 ! D209  D(61,35,36,37)        179.3025         -DE/DX =    0.0                 !
 ! D210  D(61,35,36,54)         -1.3913         -DE/DX =    0.0                 !
 ! D211  D(34,35,61,60)          0.2952         -DE/DX =    0.0                 !
 ! D212  D(34,35,61,102)      -179.9382         -DE/DX =    0.0                 !
 ! D213  D(36,35,61,60)       -179.0438         -DE/DX =    0.0                 !
 ! D214  D(36,35,61,102)         0.7228         -DE/DX =    0.0                 !
 ! D215  D(35,36,37,25)          0.0304         -DE/DX =    0.0                 !
 ! D216  D(35,36,37,57)        178.4155         -DE/DX =    0.0                 !
 ! D217  D(54,36,37,25)       -179.3926         -DE/DX =    0.0                 !
 ! D218  D(54,36,37,57)         -1.0075         -DE/DX =    0.0                 !
 ! D219  D(35,36,54,55)       -178.929          -DE/DX =    0.0                 !
 ! D220  D(35,36,54,95)          0.7746         -DE/DX =    0.0                 !
 ! D221  D(37,36,54,55)          0.3082         -DE/DX =    0.0                 !
 ! D222  D(37,36,54,95)       -179.9882         -DE/DX =    0.0                 !
 ! D223  D(25,37,57,56)        178.9943         -DE/DX =    0.0                 !
 ! D224  D(25,37,57,98)         -0.5205         -DE/DX =    0.0                 !
 ! D225  D(36,37,57,56)          0.9727         -DE/DX =    0.0                 !
 ! D226  D(36,37,57,98)       -178.5422         -DE/DX =    0.0                 !
 ! D227  D(28,38,39,40)          0.5564         -DE/DX =    0.0                 !
 ! D228  D(28,38,39,80)       -179.9439         -DE/DX =    0.0                 !
 ! D229  D(79,38,39,40)       -179.0868         -DE/DX =    0.0                 !
 ! D230  D(79,38,39,80)          0.4129         -DE/DX =    0.0                 !
 ! D231  D(38,39,40,41)         -0.6251         -DE/DX =    0.0                 !
 ! D232  D(38,39,40,81)        178.8803         -DE/DX =    0.0                 !
 ! D233  D(80,39,40,41)        179.874          -DE/DX =    0.0                 !
 ! D234  D(80,39,40,81)         -0.6206         -DE/DX =    0.0                 !
 ! D235  D(39,40,41,29)         -0.3391         -DE/DX =    0.0                 !
 ! D236  D(39,40,41,82)        178.8426         -DE/DX =    0.0                 !
 ! D237  D(81,40,41,29)       -179.8467         -DE/DX =    0.0                 !
 ! D238  D(81,40,41,82)         -0.6649         -DE/DX =    0.0                 !
 ! D239  D(26,42,43,44)         -0.3267         -DE/DX =    0.0                 !
 ! D240  D(26,42,43,84)        179.981          -DE/DX =    0.0                 !
 ! D241  D(83,42,43,44)        179.0688         -DE/DX =    0.0                 !
 ! D242  D(83,42,43,84)         -0.6234         -DE/DX =    0.0                 !
 ! D243  D(42,43,44,45)         -0.4735         -DE/DX =    0.0                 !
 ! D244  D(42,43,44,85)        179.9353         -DE/DX =    0.0                 !
 ! D245  D(84,43,44,45)        179.2174         -DE/DX =    0.0                 !
 ! D246  D(84,43,44,85)         -0.3738         -DE/DX =    0.0                 !
 ! D247  D(43,44,45,27)          0.4493         -DE/DX =    0.0                 !
 ! D248  D(43,44,45,86)       -179.2026         -DE/DX =    0.0                 !
 ! D249  D(85,44,45,27)       -179.9605         -DE/DX =    0.0                 !
 ! D250  D(85,44,45,86)          0.3875         -DE/DX =    0.0                 !
 ! D251  D(32,46,47,48)         -0.5487         -DE/DX =    0.0                 !
 ! D252  D(32,46,47,88)        179.6762         -DE/DX =    0.0                 !
 ! D253  D(87,46,47,48)        179.2721         -DE/DX =    0.0                 !
 ! D254  D(87,46,47,88)         -0.503          -DE/DX =    0.0                 !
 ! D255  D(46,47,48,49)          0.43           -DE/DX =    0.0                 !
 ! D256  D(46,47,48,89)       -179.729          -DE/DX =    0.0                 !
 ! D257  D(88,47,48,49)       -179.7944         -DE/DX =    0.0                 !
 ! D258  D(88,47,48,89)          0.0466         -DE/DX =    0.0                 !
 ! D259  D(47,48,49,33)          0.5022         -DE/DX =    0.0                 !
 ! D260  D(47,48,49,90)       -179.1062         -DE/DX =    0.0                 !
 ! D261  D(89,48,49,33)       -179.3399         -DE/DX =    0.0                 !
 ! D262  D(89,48,49,90)          1.0517         -DE/DX =    0.0                 !
 ! D263  D(30,50,51,52)          0.3635         -DE/DX =    0.0                 !
 ! D264  D(30,50,51,92)       -179.9203         -DE/DX =    0.0                 !
 ! D265  D(91,50,51,52)       -179.001          -DE/DX =    0.0                 !
 ! D266  D(91,50,51,92)          0.7152         -DE/DX =    0.0                 !
 ! D267  D(50,51,52,53)          0.5526         -DE/DX =    0.0                 !
 ! D268  D(50,51,52,93)       -179.8889         -DE/DX =    0.0                 !
 ! D269  D(92,51,52,53)       -179.1623         -DE/DX =    0.0                 !
 ! D270  D(92,51,52,93)          0.3962         -DE/DX =    0.0                 !
 ! D271  D(51,52,53,31)         -0.519          -DE/DX =    0.0                 !
 ! D272  D(51,52,53,94)        179.1011         -DE/DX =    0.0                 !
 ! D273  D(93,52,53,31)        179.9237         -DE/DX =    0.0                 !
 ! D274  D(93,52,53,94)         -0.4562         -DE/DX =    0.0                 !
 ! D275  D(36,54,55,56)          0.3788         -DE/DX =    0.0                 !
 ! D276  D(36,54,55,96)       -179.95           -DE/DX =    0.0                 !
 ! D277  D(95,54,55,56)       -179.3243         -DE/DX =    0.0                 !
 ! D278  D(95,54,55,96)          0.3468         -DE/DX =    0.0                 !
 ! D279  D(54,55,56,57)         -0.4059         -DE/DX =    0.0                 !
 ! D280  D(54,55,56,97)        179.3477         -DE/DX =    0.0                 !
 ! D281  D(96,55,56,57)        179.9221         -DE/DX =    0.0                 !
 ! D282  D(96,55,56,97)         -0.3243         -DE/DX =    0.0                 !
 ! D283  D(55,56,57,37)         -0.269          -DE/DX =    0.0                 !
 ! D284  D(55,56,57,98)        179.2477         -DE/DX =    0.0                 !
 ! D285  D(97,56,57,37)        179.9765         -DE/DX =    0.0                 !
 ! D286  D(97,56,57,98)         -0.5068         -DE/DX =    0.0                 !
 ! D287  D(34,58,59,60)         -0.2049         -DE/DX =    0.0                 !
 ! D288  D(34,58,59,100)       179.8804         -DE/DX =    0.0                 !
 ! D289  D(99,58,59,60)        179.5881         -DE/DX =    0.0                 !
 ! D290  D(99,58,59,100)        -0.3265         -DE/DX =    0.0                 !
 ! D291  D(58,59,60,61)         -0.3509         -DE/DX =    0.0                 !
 ! D292  D(58,59,60,101)       179.8362         -DE/DX =    0.0                 !
 ! D293  D(100,59,60,61)       179.5634         -DE/DX =    0.0                 !
 ! D294  D(100,59,60,101)       -0.2495         -DE/DX =    0.0                 !
 ! D295  D(59,60,61,35)          0.2989         -DE/DX =    0.0                 !
 ! D296  D(59,60,61,102)      -179.4673         -DE/DX =    0.0                 !
 ! D297  D(101,60,61,35)      -179.8888         -DE/DX =    0.0                 !
 ! D298  D(101,60,61,102)        0.345          -DE/DX =    0.0                 !
 ! D299  D(15,63,64,66)        102.2085         -DE/DX =    0.0                 !
 ! D300  D(62,63,64,66)        -27.0421         -DE/DX =    0.0                 !
 ! D301  D(65,63,64,66)       -155.2914         -DE/DX =    0.0                 !
 ! D302  D(15,63,65,68)        177.7752         -DE/DX =    0.0                 !
 ! D303  D(62,63,65,68)        -58.0978         -DE/DX =    0.0                 !
 ! D304  D(64,63,65,68)         69.5853         -DE/DX =    0.0                 !
 ! D305  D(63,64,66,67)       -122.3426         -DE/DX =    0.0                 !
 ! D306  D(63,64,66,103)         0.625          -DE/DX =    0.0                 !
 ! D307  D(63,64,66,104)       117.3962         -DE/DX =    0.0                 !
 ! D308  D(63,65,68,69)         88.1841         -DE/DX =    0.0                 !
 ! D309  D(63,65,68,108)      -151.1297         -DE/DX =    0.0                 !
 ! D310  D(63,65,68,109)       -35.7436         -DE/DX =    0.0                 !
 ! D311  D(64,66,67,105)      -175.2467         -DE/DX =    0.0                 !
 ! D312  D(64,66,67,106)       -55.7657         -DE/DX =    0.0                 !
 ! D313  D(64,66,67,107)        65.6469         -DE/DX =    0.0                 !
 ! D314  D(103,66,67,105)       63.6391         -DE/DX =    0.0                 !
 ! D315  D(103,66,67,106)     -176.8799         -DE/DX =    0.0                 !
 ! D316  D(103,66,67,107)      -55.4672         -DE/DX =    0.0                 !
 ! D317  D(104,66,67,105)      -59.0357         -DE/DX =    0.0                 !
 ! D318  D(104,66,67,106)       60.4453         -DE/DX =    0.0                 !
 ! D319  D(104,66,67,107)     -178.142          -DE/DX =    0.0                 !
 ! D320  D(64,66,103,113)      -61.3713         -DE/DX =    0.0                 !
 ! D321  D(67,66,103,113)       59.9916         -DE/DX =    0.0                 !
 ! D322  D(104,66,103,113)    -175.7642         -DE/DX =    0.0                 !
 ! D323  D(65,68,69,110)       177.316          -DE/DX =    0.0                 !
 ! D324  D(65,68,69,111)       -62.7139         -DE/DX =    0.0                 !
 ! D325  D(65,68,69,112)        58.147          -DE/DX =    0.0                 !
 ! D326  D(108,68,69,110)       60.9501         -DE/DX =    0.0                 !
 ! D327  D(108,68,69,111)     -179.0798         -DE/DX =    0.0                 !
 ! D328  D(108,68,69,112)      -58.2189         -DE/DX =    0.0                 !
 ! D329  D(109,68,69,110)      -60.2702         -DE/DX =    0.0                 !
 ! D330  D(109,68,69,111)       59.6999         -DE/DX =    0.0                 !
 ! D331  D(109,68,69,112)     -179.4392         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.596474    3.245795    0.121107
      2          6           0       -2.754843    1.865167    0.262569
      3          6           0       -1.650395    1.005815    0.215796
      4          6           0       -0.359632    1.559708    0.090266
      5          6           0       -0.208504    2.943546   -0.070183
      6          6           0       -1.312605    3.782954   -0.068901
      7          6           0       -1.783782   -0.463055    0.175828
      8          6           0       -0.652954   -1.285739    0.404034
      9          6           0        0.629179   -0.639294    0.840943
     10          6           0        0.825283    0.690697    0.165172
     11          6           0       -2.987482   -1.054705   -0.225060
     12          6           0       -3.080523   -2.427700   -0.458265
     13          6           0       -1.935988   -3.221568   -0.324744
     14          6           0       -0.743840   -2.649596    0.098830
     15          7           0        1.790095   -1.462024    0.923483
     16          6           0        3.038455   -0.957930    0.448240
     17          6           0        3.079182    0.326732   -0.141036
     18          7           0        1.958238    1.128765   -0.262961
     19          6           0        4.231293   -1.697559    0.489659
     20          6           0        5.417796   -1.170918   -0.005624
     21          6           0        5.457404    0.103681   -0.590044
     22          6           0        4.279274    0.836244   -0.660699
     23          7           0       -3.727887    4.095736    0.160688
     24          7           0       -4.306811   -2.999201   -0.874426
     25          7           0        6.673643    0.628794   -1.096056
     26          6           0       -4.942247   -4.094229   -0.271070
     27          6           0       -6.153411   -4.357755   -0.958366
     28          6           0       -6.253742   -3.383112   -2.025115
     29          6           0       -5.100713   -2.561956   -1.944225
     30          6           0       -3.865387    5.243572    0.955947
     31          6           0       -5.137544    5.819907    0.714238
     32          6           0       -5.798962    4.986578   -0.268249
     33          6           0       -4.905046    3.933265   -0.585680
     34          6           0        7.255898    1.848809   -0.728766
     35          6           0        8.471947    2.010294   -1.440079
     36          6           0        8.629492    0.838002   -2.275580
     37          6           0        7.503945    0.008700   -2.037639
     38          6           0       -7.196920   -3.151148   -3.032623
     39          6           0       -6.978150   -2.121727   -3.943236
     40          6           0       -5.819898   -1.330793   -3.861994
     41          6           0       -4.865588   -1.539707   -2.868125
     42          6           0       -4.556742   -4.837903    0.847360
     43          6           0       -5.395805   -5.872492    1.255659
     44          6           0       -6.591801   -6.158887    0.576053
     45          6           0       -6.977704   -5.403317   -0.526936
     46          6           0       -7.045625    5.049595   -0.900949
     47          6           0       -7.381801    4.075952   -1.836676
     48          6           0       -6.478158    3.048011   -2.152663
     49          6           0       -5.230144    2.964348   -1.539094
     50          6           0       -2.984695    5.785327    1.896195
     51          6           0       -3.386706    6.934195    2.574176
     52          6           0       -4.636087    7.529230    2.332306
     53          6           0       -5.516580    6.974186    1.408767
     54          6           0        9.602069    0.432246   -3.196632
     55          6           0        9.439934   -0.777051   -3.866019
     56          6           0        8.311173   -1.579527   -3.628657
     57          6           0        7.328353   -1.199883   -2.717094
     58          6           0        6.816302    2.799870    0.195824
     59          6           0        7.607304    3.930561    0.387222
     60          6           0        8.808875    4.112956   -0.318188
     61          6           0        9.247015    3.156561   -1.229063
     62          8           0        0.480031   -3.049790    2.732286
     63         15           0        1.779240   -2.787349    2.086047
     64          8           0        3.011255   -2.510979    3.071582
     65          8           0        2.365178   -3.943596    1.132557
     66          6           0        2.818404   -1.949528    4.412751
     67          6           0        3.616969   -0.668449    4.543244
     68          6           0        2.593587   -5.275730    1.686200
     69          6           0        1.349543   -6.139499    1.580012
     70          1           0       -3.749760    1.472287    0.432074
     71          1           0        0.791580    3.342879   -0.192642
     72          1           0       -1.193238    4.851281   -0.209918
     73          1           0       -3.863780   -0.441716   -0.394037
     74          1           0       -1.977373   -4.274547   -0.579170
     75          1           0        0.134861   -3.276616    0.136068
     76          1           0        4.249292   -2.689117    0.912521
     77          1           0        6.328844   -1.755210    0.063717
     78          1           0        4.249321    1.815450   -1.124022
     79          1           0       -8.085481   -3.771630   -3.105165
     80          1           0       -7.703184   -1.931754   -4.728504
     81          1           0       -5.657317   -0.543678   -4.592483
     82          1           0       -3.966166   -0.935724   -2.825566
     83          1           0       -3.643165   -4.614636    1.387011
     84          1           0       -5.118281   -6.465496    2.122033
     85          1           0       -7.222041   -6.973013    0.920256
     86          1           0       -7.908802   -5.617294   -1.043770
     87          1           0       -7.739861    5.851100   -0.665379
     88          1           0       -8.348013    4.111183   -2.330232
     89          1           0       -6.753621    2.298194   -2.888261
     90          1           0       -4.536459    2.174246   -1.802570
     91          1           0       -2.024940    5.325579    2.102550
     92          1           0       -2.718300    7.373820    3.308498
     93          1           0       -4.917681    8.425228    2.876696
     94          1           0       -6.488452    7.426110    1.232465
     95          1           0       10.469724    1.056786   -3.389190
     96          1           0       10.188028   -1.102738   -4.582111
     97          1           0        8.197419   -2.514819   -4.168821
     98          1           0        6.454334   -1.819328   -2.548795
     99          1           0        5.893851    2.664064    0.749298
    100          1           0        7.285836    4.685041    1.099127
    101          1           0        9.400260    5.007107   -0.147135
    102          1           0       10.180347    3.294618   -1.767392
    103          1           0        1.752206   -1.788017    4.580894
    104          1           0        3.173995   -2.720845    5.101687
    105          1           0        3.539124   -0.297278    5.570583
    106          1           0        4.673269   -0.839532    4.317703
    107          1           0        3.226920    0.099752    3.871739
    108          1           0        3.417320   -5.680276    1.093298
    109          1           0        2.935377   -5.180620    2.721643
    110          1           0        1.567368   -7.143677    1.958790
    111          1           0        0.531927   -5.712508    2.164972
    112          1           0        1.030687   -6.229778    0.537642
    113         17           0        0.302328    0.112665    2.776467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351179           0.0181733           0.0142915
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.49813 -77.25368 -19.19956 -19.19526 -19.12446
 Alpha  occ. eigenvalues --  -14.40732 -14.38803 -14.38611 -14.38488 -14.35195
 Alpha  occ. eigenvalues --  -10.31668 -10.26987 -10.26353 -10.26119 -10.25606
 Alpha  occ. eigenvalues --  -10.24972 -10.24786 -10.24465 -10.24146 -10.22857
 Alpha  occ. eigenvalues --  -10.22729 -10.22596 -10.22589 -10.22542 -10.22538
 Alpha  occ. eigenvalues --  -10.22386 -10.22338 -10.22006 -10.21257 -10.21089
 Alpha  occ. eigenvalues --  -10.21080 -10.20928 -10.20751 -10.20632 -10.20623
 Alpha  occ. eigenvalues --  -10.20543 -10.20481 -10.20414 -10.19661 -10.19254
 Alpha  occ. eigenvalues --  -10.19159 -10.19106 -10.19102 -10.19064 -10.19007
 Alpha  occ. eigenvalues --  -10.19005 -10.19002 -10.18950 -10.18946 -10.18903
 Alpha  occ. eigenvalues --  -10.18902 -10.18895 -10.18888 -10.18885 -10.18883
 Alpha  occ. eigenvalues --  -10.18861 -10.18849 -10.18838 -10.18834 -10.18804
 Alpha  occ. eigenvalues --  -10.18783 -10.18756 -10.18723 -10.18628 -10.18487
 Alpha  occ. eigenvalues --  -10.18357 -10.18274 -10.18200 -10.18195 -10.18172
 Alpha  occ. eigenvalues --   -9.41355  -7.17624  -7.16860  -7.16829  -6.69990
 Alpha  occ. eigenvalues --   -4.86358  -4.86351  -4.86198  -1.09872  -1.04813
 Alpha  occ. eigenvalues --   -1.00322  -0.99464  -0.99203  -0.99183  -0.97905
 Alpha  occ. eigenvalues --   -0.94070  -0.90076  -0.87588  -0.87371  -0.85551
 Alpha  occ. eigenvalues --   -0.84563  -0.84379  -0.84333  -0.84293  -0.84194
 Alpha  occ. eigenvalues --   -0.81605  -0.79686  -0.79144  -0.78773  -0.78405
 Alpha  occ. eigenvalues --   -0.77880  -0.77143  -0.76970  -0.76098  -0.75685
 Alpha  occ. eigenvalues --   -0.75324  -0.75270  -0.74954  -0.74790  -0.74056
 Alpha  occ. eigenvalues --   -0.73157  -0.72136  -0.71739  -0.71685  -0.71549
 Alpha  occ. eigenvalues --   -0.71490  -0.70103  -0.67566  -0.66909  -0.65559
 Alpha  occ. eigenvalues --   -0.64804  -0.64598  -0.64338  -0.63607  -0.62967
 Alpha  occ. eigenvalues --   -0.62235  -0.61835  -0.61235  -0.60378  -0.60287
 Alpha  occ. eigenvalues --   -0.59688  -0.59490  -0.59097  -0.58328  -0.57603
 Alpha  occ. eigenvalues --   -0.57441  -0.57377  -0.56913  -0.56335  -0.55304
 Alpha  occ. eigenvalues --   -0.54771  -0.54036  -0.53414  -0.52225  -0.52160
 Alpha  occ. eigenvalues --   -0.51908  -0.51546  -0.51479  -0.51270  -0.50408
 Alpha  occ. eigenvalues --   -0.50167  -0.50049  -0.49704  -0.49033  -0.48624
 Alpha  occ. eigenvalues --   -0.47833  -0.47611  -0.47437  -0.46565  -0.46336
 Alpha  occ. eigenvalues --   -0.45871  -0.45688  -0.45568  -0.45397  -0.45282
 Alpha  occ. eigenvalues --   -0.45236  -0.44910  -0.44488  -0.44144  -0.43966
 Alpha  occ. eigenvalues --   -0.43852  -0.43788  -0.43777  -0.43594  -0.43448
 Alpha  occ. eigenvalues --   -0.43247  -0.43095  -0.42540  -0.42322  -0.42170
 Alpha  occ. eigenvalues --   -0.42091  -0.42060  -0.41968  -0.41940  -0.41752
 Alpha  occ. eigenvalues --   -0.41539  -0.41368  -0.41240  -0.40898  -0.40632
 Alpha  occ. eigenvalues --   -0.40321  -0.40049  -0.39226  -0.39039  -0.38968
 Alpha  occ. eigenvalues --   -0.38574  -0.38130  -0.37602  -0.36971  -0.36775
 Alpha  occ. eigenvalues --   -0.36564  -0.36512  -0.36397  -0.36354  -0.36141
 Alpha  occ. eigenvalues --   -0.36105  -0.35957  -0.35802  -0.35357  -0.35209
 Alpha  occ. eigenvalues --   -0.35131  -0.35067  -0.34166  -0.34043  -0.33892
 Alpha  occ. eigenvalues --   -0.33854  -0.33680  -0.33604  -0.33487  -0.33418
 Alpha  occ. eigenvalues --   -0.32954  -0.32637  -0.32583  -0.31417  -0.31139
 Alpha  occ. eigenvalues --   -0.30525  -0.29601  -0.28643  -0.28331  -0.28034
 Alpha  occ. eigenvalues --   -0.27888  -0.27786  -0.27548  -0.26242  -0.25999
 Alpha  occ. eigenvalues --   -0.25408  -0.25325  -0.25133  -0.25087  -0.23954
 Alpha  occ. eigenvalues --   -0.22925  -0.21509  -0.21317  -0.21260  -0.20185
 Alpha  occ. eigenvalues --   -0.19919  -0.19739
 Alpha virt. eigenvalues --   -0.09576  -0.05195  -0.04486  -0.02947  -0.02756
 Alpha virt. eigenvalues --   -0.02690  -0.02085  -0.01350  -0.00416   0.00393
 Alpha virt. eigenvalues --    0.00594   0.00628   0.01348   0.02620   0.03131
 Alpha virt. eigenvalues --    0.03516   0.04042   0.04265   0.04327   0.04663
 Alpha virt. eigenvalues --    0.05871   0.06862   0.07574   0.08160   0.09135
 Alpha virt. eigenvalues --    0.09603   0.10045   0.10066   0.10288   0.10549
 Alpha virt. eigenvalues --    0.10600   0.10804   0.11135   0.11212   0.11710
 Alpha virt. eigenvalues --    0.12326   0.12548   0.12715   0.12987   0.13191
 Alpha virt. eigenvalues --    0.13584   0.13684   0.14263   0.14726   0.14862
 Alpha virt. eigenvalues --    0.14970   0.15192   0.15424   0.15601   0.15685
 Alpha virt. eigenvalues --    0.15788   0.15935   0.15984   0.16097   0.16315
 Alpha virt. eigenvalues --    0.16525   0.16570   0.16908   0.16996   0.17253
 Alpha virt. eigenvalues --    0.17413   0.17661   0.17878   0.18128   0.18286
 Alpha virt. eigenvalues --    0.18490   0.18562   0.18871   0.19146   0.19366
 Alpha virt. eigenvalues --    0.19439   0.19694   0.19759   0.19765   0.19896
 Alpha virt. eigenvalues --    0.20154   0.20508   0.20621   0.20705   0.20815
 Alpha virt. eigenvalues --    0.20982   0.21344   0.21657   0.22053   0.23073
 Alpha virt. eigenvalues --    0.23377   0.23639   0.24291   0.24646   0.25218
 Alpha virt. eigenvalues --    0.25410   0.25542   0.25602   0.26058   0.26114
 Alpha virt. eigenvalues --    0.26282   0.26476   0.26549   0.26919   0.27295
 Alpha virt. eigenvalues --    0.28002   0.28115   0.28641   0.28750   0.29483
 Alpha virt. eigenvalues --    0.29696   0.30087   0.30683   0.31220   0.31447
 Alpha virt. eigenvalues --    0.31744   0.32026   0.32529   0.33029   0.34163
 Alpha virt. eigenvalues --    0.34279   0.34583   0.35085   0.35395   0.35767
 Alpha virt. eigenvalues --    0.35885   0.36259   0.36677   0.37055   0.37870
 Alpha virt. eigenvalues --    0.38311   0.38596   0.38761   0.38840   0.39014
 Alpha virt. eigenvalues --    0.39188   0.39652   0.41058   0.41204   0.41748
 Alpha virt. eigenvalues --    0.41992   0.42413   0.43690   0.44261   0.44654
 Alpha virt. eigenvalues --    0.44939   0.45483   0.45671   0.46136   0.46199
 Alpha virt. eigenvalues --    0.46395   0.48021   0.48466   0.48663   0.48953
 Alpha virt. eigenvalues --    0.49281   0.49470   0.49786   0.50042   0.50800
 Alpha virt. eigenvalues --    0.51081   0.51319   0.51365   0.51482   0.51754
 Alpha virt. eigenvalues --    0.51921   0.52098   0.52411   0.52599   0.52790
 Alpha virt. eigenvalues --    0.53072   0.53159   0.53339   0.53420   0.53422
 Alpha virt. eigenvalues --    0.53505   0.53628   0.53840   0.53922   0.54268
 Alpha virt. eigenvalues --    0.54349   0.54492   0.54548   0.54845   0.54903
 Alpha virt. eigenvalues --    0.55249   0.55375   0.55496   0.55651   0.55866
 Alpha virt. eigenvalues --    0.56031   0.56369   0.56449   0.56744   0.56844
 Alpha virt. eigenvalues --    0.57115   0.57262   0.57512   0.57589   0.57590
 Alpha virt. eigenvalues --    0.57766   0.57848   0.58039   0.58185   0.58454
 Alpha virt. eigenvalues --    0.58606   0.58776   0.58917   0.59046   0.59193
 Alpha virt. eigenvalues --    0.59273   0.59477   0.59545   0.59718   0.60021
 Alpha virt. eigenvalues --    0.60124   0.60293   0.60387   0.60526   0.60759
 Alpha virt. eigenvalues --    0.60859   0.60861   0.61298   0.61337   0.61476
 Alpha virt. eigenvalues --    0.61527   0.61561   0.61657   0.61688   0.61788
 Alpha virt. eigenvalues --    0.61957   0.62044   0.62126   0.62240   0.62292
 Alpha virt. eigenvalues --    0.62530   0.62577   0.62912   0.63015   0.63558
 Alpha virt. eigenvalues --    0.63628   0.63785   0.63838   0.63985   0.64093
 Alpha virt. eigenvalues --    0.64248   0.64398   0.64454   0.64559   0.64721
 Alpha virt. eigenvalues --    0.64825   0.65056   0.65356   0.65983   0.66108
 Alpha virt. eigenvalues --    0.66223   0.67289   0.68137   0.68553   0.68847
 Alpha virt. eigenvalues --    0.69346   0.69896   0.70226   0.70571   0.70779
 Alpha virt. eigenvalues --    0.71253   0.71556   0.71626   0.72647   0.73293
 Alpha virt. eigenvalues --    0.73924   0.73966   0.74307   0.74580   0.74815
 Alpha virt. eigenvalues --    0.76383   0.76616   0.77231   0.77726   0.77855
 Alpha virt. eigenvalues --    0.78073   0.78108   0.78583   0.78692   0.78965
 Alpha virt. eigenvalues --    0.79294   0.79380   0.79556   0.79581   0.79789
 Alpha virt. eigenvalues --    0.80019   0.80446   0.80732   0.80982   0.81444
 Alpha virt. eigenvalues --    0.81652   0.81715   0.81899   0.82053   0.82133
 Alpha virt. eigenvalues --    0.82351   0.82584   0.82618   0.82990   0.83211
 Alpha virt. eigenvalues --    0.83504   0.83579   0.83698   0.83937   0.84016
 Alpha virt. eigenvalues --    0.84263   0.84430   0.84659   0.84791   0.84809
 Alpha virt. eigenvalues --    0.85538   0.85715   0.85950   0.86337   0.86644
 Alpha virt. eigenvalues --    0.86760   0.86906   0.87108   0.87260   0.87789
 Alpha virt. eigenvalues --    0.88006   0.88162   0.88370   0.88559   0.88807
 Alpha virt. eigenvalues --    0.88997   0.89156   0.89679   0.89883   0.90009
 Alpha virt. eigenvalues --    0.90198   0.90513   0.90573   0.90717   0.91272
 Alpha virt. eigenvalues --    0.91515   0.91625   0.92049   0.92425   0.92689
 Alpha virt. eigenvalues --    0.92853   0.93499   0.93829   0.94558   0.94715
 Alpha virt. eigenvalues --    0.95045   0.95381   0.95483   0.96039   0.96357
 Alpha virt. eigenvalues --    0.96713   0.97166   0.97380   0.98023   0.98209
 Alpha virt. eigenvalues --    0.98357   0.98634   0.98670   0.98897   0.99006
 Alpha virt. eigenvalues --    0.99215   0.99370   0.99454   0.99714   0.99790
 Alpha virt. eigenvalues --    1.00341   1.00567   1.00654   1.00720   1.01093
 Alpha virt. eigenvalues --    1.01581   1.02035   1.02756   1.03237   1.03778
 Alpha virt. eigenvalues --    1.03961   1.04496   1.05199   1.05503   1.06403
 Alpha virt. eigenvalues --    1.06486   1.06620   1.06773   1.07057   1.07725
 Alpha virt. eigenvalues --    1.08389   1.08461   1.08895   1.10318   1.10969
 Alpha virt. eigenvalues --    1.11358   1.11436   1.11736   1.12077   1.12255
 Alpha virt. eigenvalues --    1.12491   1.12593   1.13246   1.13907   1.14418
 Alpha virt. eigenvalues --    1.14511   1.14627   1.14700   1.14868   1.15244
 Alpha virt. eigenvalues --    1.15647   1.15864   1.16627   1.17077   1.18126
 Alpha virt. eigenvalues --    1.18564   1.18644   1.18896   1.19017   1.19395
 Alpha virt. eigenvalues --    1.20021   1.20535   1.20692   1.20810   1.20860
 Alpha virt. eigenvalues --    1.21098   1.21550   1.22133   1.22663   1.23128
 Alpha virt. eigenvalues --    1.23762   1.24244   1.24782   1.25253   1.25437
 Alpha virt. eigenvalues --    1.26150   1.26297   1.27009   1.27615   1.27640
 Alpha virt. eigenvalues --    1.27826   1.28368   1.29117   1.29765   1.30513
 Alpha virt. eigenvalues --    1.30586   1.30692   1.31255   1.32118   1.32194
 Alpha virt. eigenvalues --    1.32730   1.32997   1.33175   1.33354   1.34224
 Alpha virt. eigenvalues --    1.34918   1.35605   1.35844   1.36462   1.36694
 Alpha virt. eigenvalues --    1.36824   1.36867   1.36966   1.37039   1.37154
 Alpha virt. eigenvalues --    1.37343   1.37812   1.38198   1.38302   1.38488
 Alpha virt. eigenvalues --    1.38675   1.39008   1.39304   1.39457   1.39744
 Alpha virt. eigenvalues --    1.39901   1.40195   1.40529   1.40694   1.41232
 Alpha virt. eigenvalues --    1.41267   1.41294   1.41403   1.41534   1.41565
 Alpha virt. eigenvalues --    1.41609   1.41713   1.41866   1.42214   1.42717
 Alpha virt. eigenvalues --    1.42997   1.43105   1.43328   1.43772   1.44120
 Alpha virt. eigenvalues --    1.44541   1.45096   1.46015   1.46400   1.46535
 Alpha virt. eigenvalues --    1.46757   1.47589   1.48121   1.50095   1.50566
 Alpha virt. eigenvalues --    1.51092   1.52624   1.53210   1.54829   1.56103
 Alpha virt. eigenvalues --    1.57248   1.57839   1.58658   1.58875   1.59438
 Alpha virt. eigenvalues --    1.60326   1.60576   1.60767   1.61090   1.61288
 Alpha virt. eigenvalues --    1.61368   1.62438   1.62940   1.63548   1.64202
 Alpha virt. eigenvalues --    1.65829   1.66564   1.67182   1.67894   1.68240
 Alpha virt. eigenvalues --    1.69073   1.69653   1.69874   1.70635   1.70887
 Alpha virt. eigenvalues --    1.71494   1.72076   1.72739   1.73022   1.73244
 Alpha virt. eigenvalues --    1.73470   1.73736   1.74483   1.74917   1.75476
 Alpha virt. eigenvalues --    1.75612   1.75807   1.75852   1.76014   1.76154
 Alpha virt. eigenvalues --    1.76176   1.76968   1.77477   1.77555   1.77867
 Alpha virt. eigenvalues --    1.78353   1.78752   1.79124   1.79352   1.79565
 Alpha virt. eigenvalues --    1.80078   1.80393   1.80965   1.81148   1.81716
 Alpha virt. eigenvalues --    1.82104   1.82471   1.82992   1.83103   1.83146
 Alpha virt. eigenvalues --    1.83654   1.84083   1.84152   1.84474   1.85003
 Alpha virt. eigenvalues --    1.85487   1.85725   1.86178   1.86617   1.87124
 Alpha virt. eigenvalues --    1.87755   1.88143   1.88360   1.88506   1.88608
 Alpha virt. eigenvalues --    1.88803   1.88899   1.89217   1.89429   1.89553
 Alpha virt. eigenvalues --    1.89844   1.90167   1.90266   1.90536   1.90937
 Alpha virt. eigenvalues --    1.91252   1.91447   1.91719   1.91918   1.91964
 Alpha virt. eigenvalues --    1.92163   1.92254   1.92468   1.92705   1.92856
 Alpha virt. eigenvalues --    1.93329   1.93680   1.94322   1.94351   1.94655
 Alpha virt. eigenvalues --    1.94764   1.94776   1.95300   1.95825   1.96356
 Alpha virt. eigenvalues --    1.96664   1.96787   1.96947   1.97424   1.97624
 Alpha virt. eigenvalues --    1.97708   1.98104   1.98293   1.98826   1.99188
 Alpha virt. eigenvalues --    1.99381   1.99503   1.99624   2.00061   2.00115
 Alpha virt. eigenvalues --    2.00165   2.00304   2.00541   2.00988   2.01256
 Alpha virt. eigenvalues --    2.01512   2.01888   2.02609   2.03038   2.03289
 Alpha virt. eigenvalues --    2.03318   2.03439   2.03733   2.03920   2.04419
 Alpha virt. eigenvalues --    2.04979   2.05175   2.05216   2.05322   2.05618
 Alpha virt. eigenvalues --    2.05896   2.06769   2.07138   2.07483   2.08180
 Alpha virt. eigenvalues --    2.08250   2.08339   2.08709   2.10184   2.11150
 Alpha virt. eigenvalues --    2.11436   2.11751   2.12095   2.12177   2.12374
 Alpha virt. eigenvalues --    2.13479   2.14706   2.15138   2.15808   2.16148
 Alpha virt. eigenvalues --    2.16698   2.17131   2.17593   2.18005   2.18423
 Alpha virt. eigenvalues --    2.18597   2.18801   2.19879   2.19952   2.20111
 Alpha virt. eigenvalues --    2.20460   2.20567   2.20760   2.21689   2.22001
 Alpha virt. eigenvalues --    2.22240   2.22768   2.23241   2.23447   2.24393
 Alpha virt. eigenvalues --    2.24631   2.25067   2.25425   2.25537   2.25748
 Alpha virt. eigenvalues --    2.26118   2.26585   2.28135   2.28737   2.28932
 Alpha virt. eigenvalues --    2.29083   2.29222   2.29746   2.30033   2.30554
 Alpha virt. eigenvalues --    2.30817   2.31104   2.31307   2.31700   2.32075
 Alpha virt. eigenvalues --    2.32525   2.32744   2.33028   2.33572   2.33685
 Alpha virt. eigenvalues --    2.34454   2.34648   2.34763   2.34914   2.35516
 Alpha virt. eigenvalues --    2.35870   2.36468   2.37209   2.37292   2.37344
 Alpha virt. eigenvalues --    2.37628   2.37761   2.37912   2.38158   2.38331
 Alpha virt. eigenvalues --    2.38639   2.38744   2.38951   2.39093   2.39395
 Alpha virt. eigenvalues --    2.39629   2.39869   2.40005   2.40105   2.40325
 Alpha virt. eigenvalues --    2.40504   2.41230   2.41992   2.42576   2.42786
 Alpha virt. eigenvalues --    2.43189   2.43592   2.43976   2.44143   2.44226
 Alpha virt. eigenvalues --    2.44285   2.44390   2.44614   2.44641   2.44816
 Alpha virt. eigenvalues --    2.45574   2.45666   2.46572   2.46889   2.47297
 Alpha virt. eigenvalues --    2.47427   2.47615   2.47963   2.48004   2.48127
 Alpha virt. eigenvalues --    2.48678   2.49006   2.49787   2.50309   2.50551
 Alpha virt. eigenvalues --    2.51156   2.51566   2.52258   2.52307   2.52524
 Alpha virt. eigenvalues --    2.52568   2.52792   2.52942   2.53295   2.53542
 Alpha virt. eigenvalues --    2.53722   2.54246   2.54626   2.55000   2.55093
 Alpha virt. eigenvalues --    2.55474   2.55776   2.56073   2.56626   2.56977
 Alpha virt. eigenvalues --    2.57275   2.57340   2.57619   2.57805   2.57953
 Alpha virt. eigenvalues --    2.58014   2.58249   2.58642   2.59649   2.59893
 Alpha virt. eigenvalues --    2.60122   2.60220   2.60674   2.60824   2.61389
 Alpha virt. eigenvalues --    2.62036   2.62187   2.62364   2.62693   2.62905
 Alpha virt. eigenvalues --    2.63744   2.64276   2.65013   2.65655   2.66026
 Alpha virt. eigenvalues --    2.66327   2.66574   2.66821   2.67226   2.67674
 Alpha virt. eigenvalues --    2.68140   2.69128   2.69280   2.69455   2.69515
 Alpha virt. eigenvalues --    2.69792   2.70419   2.70762   2.71041   2.71285
 Alpha virt. eigenvalues --    2.71997   2.72431   2.72820   2.73464   2.74151
 Alpha virt. eigenvalues --    2.74392   2.74445   2.74653   2.74751   2.74979
 Alpha virt. eigenvalues --    2.75035   2.75823   2.76211   2.77428   2.77556
 Alpha virt. eigenvalues --    2.77626   2.77813   2.78195   2.79504   2.80001
 Alpha virt. eigenvalues --    2.80146   2.80420   2.81343   2.81846   2.82487
 Alpha virt. eigenvalues --    2.83666   2.83836   2.83971   2.84310   2.84513
 Alpha virt. eigenvalues --    2.84974   2.85237   2.86039   2.87033   2.87183
 Alpha virt. eigenvalues --    2.87925   2.88063   2.89889   2.90388   2.90442
 Alpha virt. eigenvalues --    2.90821   2.91293   2.91846   2.92088   2.92390
 Alpha virt. eigenvalues --    2.92543   2.92710   2.93224   2.93528   2.95244
 Alpha virt. eigenvalues --    2.95988   2.96535   2.96970   2.98641   2.99222
 Alpha virt. eigenvalues --    3.00352   3.01945   3.04348   3.07737   3.09708
 Alpha virt. eigenvalues --    3.10302   3.11141   3.13322   3.13586   3.13773
 Alpha virt. eigenvalues --    3.14664   3.17315   3.18466   3.18637   3.18787
 Alpha virt. eigenvalues --    3.19635   3.19814   3.20255   3.21990   3.22045
 Alpha virt. eigenvalues --    3.22463   3.23622   3.24153   3.24230   3.24586
 Alpha virt. eigenvalues --    3.24761   3.24831   3.25022   3.25094   3.25503
 Alpha virt. eigenvalues --    3.26561   3.26957   3.27071   3.28362   3.28707
 Alpha virt. eigenvalues --    3.30337   3.30974   3.31102   3.31515   3.31912
 Alpha virt. eigenvalues --    3.32431   3.36584   3.36711   3.36831   3.37090
 Alpha virt. eigenvalues --    3.37222   3.37464   3.37653   3.38998   3.39968
 Alpha virt. eigenvalues --    3.41388   3.43701   3.44547   3.45251   3.45451
 Alpha virt. eigenvalues --    3.45940   3.46126   3.46709   3.46869   3.47010
 Alpha virt. eigenvalues --    3.47079   3.48452   3.50124   3.50797   3.50917
 Alpha virt. eigenvalues --    3.51165   3.51911   3.56115   3.73044   3.75854
 Alpha virt. eigenvalues --    3.79627   3.81789   3.81978   3.82212   3.89763
 Alpha virt. eigenvalues --    3.89907   3.90086   4.00468   4.07380   4.10818
 Alpha virt. eigenvalues --    4.10962   4.11065   4.11640   4.13193   4.13731
 Alpha virt. eigenvalues --    4.13868   4.13995   4.14156   4.14201   4.14487
 Alpha virt. eigenvalues --    4.14824   4.15742   4.16546   4.17992   4.18286
 Alpha virt. eigenvalues --    4.18399   4.18573   4.18604   4.18937   4.19456
 Alpha virt. eigenvalues --    4.20812   4.20969   4.21035   4.21284   4.22578
 Alpha virt. eigenvalues --    4.24752   4.26352   4.28214   4.31886   4.33834
 Alpha virt. eigenvalues --    4.36288   4.37188   4.37374   4.37441   4.38563
 Alpha virt. eigenvalues --    4.41445   4.42118   4.43033   4.43834   4.44238
 Alpha virt. eigenvalues --    4.44559   4.44853   4.46123   4.48417   4.48812
 Alpha virt. eigenvalues --    4.52098   4.52438   4.52751   4.52784   4.52892
 Alpha virt. eigenvalues --    4.53379   4.53624   4.53675   4.58883   4.60188
 Alpha virt. eigenvalues --    4.61247   4.70535   4.78295   4.81719   4.82833
 Alpha virt. eigenvalues --    4.84700   4.88006   4.93002   4.93169   4.93299
 Alpha virt. eigenvalues --    4.94561
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.262398
     2  C   -0.159858
     3  C    0.062249
     4  C    0.070182
     5  C   -0.113347
     6  C   -0.104045
     7  C    0.059251
     8  C    0.144306
     9  C    0.002843
    10  C    0.302441
    11  C   -0.142067
    12  C    0.257363
    13  C   -0.109222
    14  C   -0.100795
    15  N   -0.728055
    16  C    0.342209
    17  C    0.236431
    18  N   -0.567816
    19  C   -0.123638
    20  C   -0.109075
    21  C    0.246287
    22  C   -0.127360
    23  N   -0.741129
    24  N   -0.740292
    25  N   -0.737944
    26  C    0.291643
    27  C    0.041990
    28  C    0.040446
    29  C    0.295060
    30  C    0.293492
    31  C    0.040588
    32  C    0.041147
    33  C    0.295050
    34  C    0.293903
    35  C    0.040929
    36  C    0.040434
    37  C    0.293743
    38  C   -0.132374
    39  C   -0.099629
    40  C   -0.101420
    41  C   -0.112971
    42  C   -0.113175
    43  C   -0.099076
    44  C   -0.099362
    45  C   -0.133107
    46  C   -0.132678
    47  C   -0.099543
    48  C   -0.099087
    49  C   -0.113034
    50  C   -0.109904
    51  C   -0.098733
    52  C   -0.099448
    53  C   -0.132850
    54  C   -0.133261
    55  C   -0.100474
    56  C   -0.098587
    57  C   -0.111590
    58  C   -0.110648
    59  C   -0.098696
    60  C   -0.100281
    61  C   -0.133374
    62  O   -0.565342
    63  P    1.425583
    64  O   -0.574437
    65  O   -0.595711
    66  C    0.027352
    67  C   -0.330725
    68  C    0.024962
    69  C   -0.338898
    70  H    0.122204
    71  H    0.120408
    72  H    0.112720
    73  H    0.113246
    74  H    0.109574
    75  H    0.114405
    76  H    0.124282
    77  H    0.111758
    78  H    0.122400
    79  H    0.087055
    80  H    0.082077
    81  H    0.085229
    82  H    0.095135
    83  H    0.105156
    84  H    0.085126
    85  H    0.081397
    86  H    0.086163
    87  H    0.086123
    88  H    0.081585
    89  H    0.087398
    90  H    0.091683
    91  H    0.098682
    92  H    0.084736
    93  H    0.081210
    94  H    0.085892
    95  H    0.085672
    96  H    0.080377
    97  H    0.082288
    98  H    0.091021
    99  H    0.094499
   100  H    0.083823
   101  H    0.080534
   102  H    0.085263
   103  H    0.160125
   104  H    0.115610
   105  H    0.113941
   106  H    0.118827
   107  H    0.143005
   108  H    0.124240
   109  H    0.127004
   110  H    0.113826
   111  H    0.155241
   112  H    0.122888
   113  Cl  -0.233055
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.262398
     2  C   -0.037653
     3  C    0.062249
     4  C    0.070182
     5  C    0.007061
     6  C    0.008676
     7  C    0.059251
     8  C    0.144306
     9  C    0.002843
    10  C    0.302441
    11  C   -0.028821
    12  C    0.257363
    13  C    0.000352
    14  C    0.013610
    15  N   -0.728055
    16  C    0.342209
    17  C    0.236431
    18  N   -0.567816
    19  C    0.000645
    20  C    0.002683
    21  C    0.246287
    22  C   -0.004959
    23  N   -0.741129
    24  N   -0.740292
    25  N   -0.737944
    26  C    0.291643
    27  C    0.041990
    28  C    0.040446
    29  C    0.295060
    30  C    0.293492
    31  C    0.040588
    32  C    0.041147
    33  C    0.295050
    34  C    0.293903
    35  C    0.040929
    36  C    0.040434
    37  C    0.293743
    38  C   -0.045318
    39  C   -0.017552
    40  C   -0.016191
    41  C   -0.017835
    42  C   -0.008019
    43  C   -0.013950
    44  C   -0.017965
    45  C   -0.046944
    46  C   -0.046556
    47  C   -0.017958
    48  C   -0.011689
    49  C   -0.021351
    50  C   -0.011222
    51  C   -0.013997
    52  C   -0.018238
    53  C   -0.046957
    54  C   -0.047589
    55  C   -0.020097
    56  C   -0.016298
    57  C   -0.020570
    58  C   -0.016150
    59  C   -0.014872
    60  C   -0.019747
    61  C   -0.048111
    62  O   -0.565342
    63  P    1.425583
    64  O   -0.574437
    65  O   -0.595711
    66  C    0.303087
    67  C    0.045047
    68  C    0.276206
    69  C    0.053057
   113  Cl  -0.233055
 Electronic spatial extent (au):  <R**2>=          74482.8913
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.4063    Y=             -3.6177    Z=              0.2515  Tot=              4.3522
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -399.4247   YY=           -376.4814   ZZ=           -407.2353
   XY=            -12.0005   XZ=             17.4662   YZ=             -2.1642
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.0442   YY=             17.8991   ZZ=            -12.8549
   XY=            -12.0005   XZ=             17.4662   YZ=             -2.1642
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -46.3503  YYY=           -163.5915  ZZZ=            101.0190  XYY=             63.7324
  XXY=            -39.5921  XXZ=            -69.7336  XZZ=             57.3398  YZZ=            -45.4638
  YYZ=            137.1351  XYZ=            -12.4300
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -63004.4710 YYYY=         -27826.2410 ZZZZ=          -9044.1538 XXXY=            302.7677
 XXXZ=            108.6814 YYYX=           -443.0425 YYYZ=            -59.4090 ZZZX=            463.7634
 ZZZY=           -181.1095 XXYY=         -14410.4665 XXZZ=         -11883.5495 YYZZ=          -6333.0867
 XXYZ=            -13.2834 YYXZ=            -92.8494 ZZXY=           -230.8138
 N-N= 1.069795123670D+04 E-N=-2.982262412904D+04  KE= 3.583879108057D+03
 1\1\GINC-W2214\FOpt\RB3LYP\6-31G(d,p)\C60H43Cl1N5O3P1\SC70848\21-Jun-2
 022\0\\# opt freq b3lyp/6-31g(d,p) geom=connectivity\\Title Card Requi
 red\\0,1\C,-3.9138579598,2.6350510308,-0.1434175914\C,-3.9002093053,1.
 2384721475,-0.1187613516\C,-2.7083396876,0.5272993022,-0.303582545\C,-
 1.5021361775,1.2431667487,-0.4492954906\C,-1.5245770536,2.6436135036,-
 0.4921438415\C,-2.7167458506,3.338883707,-0.3543795884\C,-2.6714828926
 ,-0.9384265057,-0.4686836912\C,-1.4397798189,-1.6329620211,-0.37820463
 64\C,-0.2161761755,-0.873348252,0.0442035674\C,-0.2214410437,0.5221564
 396,-0.5184135693\C,-3.8214076865,-1.637260325,-0.8546325435\C,-3.7684
 044991,-2.9871787492,-1.2054439987\C,-2.5326757196,-3.6436726002,-1.20
 72696392\C,-1.3904156655,-2.9675959298,-0.799904304\N,1.035826701,-1.5
 52151408,-0.0118240941\C,2.1829664961,-0.8616542026,-0.5074582958\C,2.
 0346765439,0.4628574173,-0.9796224298\N,0.8221286877,1.1293439884,-0.9
 668247318\C,3.4542050049,-1.450952327,-0.5986231656\C,4.5361003729,-0.
 7440433433,-1.1087494884\C,4.3881936165,0.5699750423,-1.5769332301\C,3
 .1304459464,1.1565103481,-1.5162858786\N,-5.1318207771,3.3342207717,0.
 0348841824\N,-4.9440683126,-3.667574237,-1.603519474\N,5.4990346517,1.
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 6.6207614191,-5.2297445444,-1.7082491691\C,-6.9038240718,-4.1893995704
 ,-2.6754646269\C,-5.8518536898,-3.2431730209,-2.5842044965\C,-5.350232
 8579,4.3865915537,0.9369270632\C,-6.6940858128,4.8213441025,0.81853275
 3\C,-7.3163905942,3.9980300885,-0.197383035\C,-6.3281831312,3.09180683
 4,-0.657298169\C,5.9574824526,2.5271083969,-1.6560541504\C,7.097208235
 2,2.8944252569,-2.4156084036\C,7.3357122463,1.8236573245,-3.360978154\
 C,6.3327706275,0.8462358578,-3.1374410834\C,-7.9314796263,-3.991432024
 6,-3.6045486515\C,-7.8945091438,-2.8709179019,-4.4290885564\C,-6.83380
 81073,-1.9539733283,-4.3404944576\C,-5.7987063598,-2.1266512934,-3.423
 5030716\C,-4.8643153203,-5.6597044165,-0.0437453957\C,-5.5482259002,-6
 .8193340925,0.3149109636\C,-6.7444098532,-7.1921606277,-0.3210434491\C
 ,-7.2872410919,-6.4003457041,-1.3283939214\C,-8.6005516743,3.960698704
 9,-0.7523463398\C,-8.8810887988,3.0344403373,-1.7523089706\C,-7.886113
 5254,2.1543786466,-2.2090309542\C,-6.5994506607,2.1730453831,-1.675030
 5221\C,-4.479316411,4.951815269,1.8724525474\C,-4.96764451,5.982653071
 ,2.6725016048\C,-6.2911229097,6.438695021,2.5543852088\C,-7.1591965439
 ,5.8589643396,1.6342628357\C,8.2867365835,1.6176535242,-4.3669579442\C
 ,8.2236237341,0.4574465728,-5.1329230191\C,7.214324076,-0.4937877347,-
 4.9073610519\C,6.2555800653,-0.3140717329,-3.9126129965\C,5.4711452495
 ,3.3372261128,-0.6265825196\C,6.1354006447,4.5362012187,-0.3775801551\
 C,7.2587209299,4.921940395,-1.1285801044\C,7.7451357678,4.1052299423,-
 2.1448161884\O,0.0413569896,-3.4327843364,1.7153953385\P,1.2559502977,
 -2.9608704384,1.0251007831\O,2.5090000099,-2.6189828862,1.9623845155\O
 ,1.9094010975,-3.9536525564,-0.0596845263\C,2.3399491804,-2.1986882269
 ,3.3573493283\C,2.9901435432,-0.8449898037,3.5589565773\C,2.3276220842
 ,-5.2892895224,0.3579704053\C,1.188782487,-6.2866737191,0.2427051479\H
 ,-4.8291727612,0.7143238585,0.0689689585\H,-0.5881721331,3.170865855,-
 0.6327933396\H,-2.7325204119,4.421787325,-0.4046597858\H,-4.772495797,
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 .9497787375,-5.3721712345,0.4628523663\H,-5.1472637683,-7.44393845,1.1
 07612837\H,-7.2513319834,-8.102919442,-0.0176823758\H,-8.2187344092,-6
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 \H,-6.639301428,7.2452423928,3.1921327752\H,-8.1866544983,6.2019031264
 ,1.553170938\H,9.0610040093,2.3572952613,-4.54969451\H,8.9562276937,0.
 2861889435,-5.9155247594\H,7.1755825695,-1.3878253861,-5.5227343223\H,
 5.4728246699,-1.0474358697,-3.7531902936\H,4.6090542979,3.0442742949,-
 0.0377938681\H,5.7751962887,5.183993158,0.4161505863\H,7.7514698037,5.
 8642853877,-0.910209355\H,8.6187368427,4.4004782418,-2.7189387237\H,1.
 2754699547,-2.183117092,3.5977206162\H,2.8275129516,-2.975372027,3.953
 2105596\H,2.9367832352,-0.5727645038,4.6183421924\H,4.0421793544,-0.86
 64668246,3.2611867419\H,2.4699345331,-0.0770437007,2.9820393\H,3.15245
 40039,-5.5395414984,-0.313411005\H,2.7229086578,-5.239528655,1.3774218
 598\H,1.5467574641,-7.2847137744,0.5166827203\H,0.3668706857,-6.012816
 2457,0.907880893\H,0.8152053321,-6.328280138,-0.784458114\Cl,-0.501428
 5236,-0.330387007,2.0547635562\\Version=ES64L-G16RevA.03\State=1-A\HF=
 -3613.4865765\RMSD=7.151e-09\RMSF=2.031e-06\Dipole=1.1109887,-1.300318
 9,-0.0822107\Quadrupole=0.2315421,10.7411257,-10.9726677,-11.6428052,1
 1.5138696,2.4559683\PG=C01 [X(C60H43Cl1N5O3P1)]\\@


 IF IT'S NOT TRUE, IT'S WELL INVENTED -- DANTE
 Job cpu time:       3 days 14 hours 57 minutes 49.6 seconds.
 Elapsed time:       0 days  1 hours 23 minutes 39.4 seconds.
 File lengths (MBytes):  RWF=    995 Int=      0 D2E=      0 Chk=    123 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 11:21:12 2022.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) Freq
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=101,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "cd.chk"
 -------------------
 Title Card Required
 -------------------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,-3.9138579598,2.6350510308,-0.1434175914
 C,0,-3.9002093053,1.2384721475,-0.1187613516
 C,0,-2.7083396876,0.5272993022,-0.303582545
 C,0,-1.5021361775,1.2431667487,-0.4492954906
 C,0,-1.5245770536,2.6436135036,-0.4921438415
 C,0,-2.7167458506,3.338883707,-0.3543795884
 C,0,-2.6714828926,-0.9384265057,-0.4686836912
 C,0,-1.4397798189,-1.6329620211,-0.3782046364
 C,0,-0.2161761755,-0.873348252,0.0442035674
 C,0,-0.2214410437,0.5221564396,-0.5184135693
 C,0,-3.8214076865,-1.637260325,-0.8546325435
 C,0,-3.7684044991,-2.9871787492,-1.2054439987
 C,0,-2.5326757196,-3.6436726002,-1.2072696392
 C,0,-1.3904156655,-2.9675959298,-0.799904304
 N,0,1.035826701,-1.552151408,-0.0118240941
 C,0,2.1829664961,-0.8616542026,-0.5074582958
 C,0,2.0346765439,0.4628574173,-0.9796224298
 N,0,0.8221286877,1.1293439884,-0.9668247318
 C,0,3.4542050049,-1.450952327,-0.5986231656
 C,0,4.5361003729,-0.7440433433,-1.1087494884
 C,0,4.3881936165,0.5699750423,-1.5769332301
 C,0,3.1304459464,1.1565103481,-1.5162858786
 N,0,-5.1318207771,3.3342207717,0.0348841824
 N,0,-4.9440683126,-3.667574237,-1.603519474
 N,0,5.4990346517,1.2798955709,-2.099500031
 C,0,-5.406371423,-4.8783232357,-1.0675478973
 C,0,-6.6207614191,-5.2297445444,-1.7082491691
 C,0,-6.9038240718,-4.1893995704,-2.6754646269
 C,0,-5.8518536898,-3.2431730209,-2.5842044965
 C,0,-5.3502328579,4.3865915537,0.9369270632
 C,0,-6.6940858128,4.8213441025,0.818532753
 C,0,-7.3163905942,3.9980300885,-0.197383035
 C,0,-6.3281831312,3.091806834,-0.657298169
 C,0,5.9574824526,2.5271083969,-1.6560541504
 C,0,7.0972082352,2.8944252569,-2.4156084036
 C,0,7.3357122463,1.8236573245,-3.360978154
 C,0,6.3327706275,0.8462358578,-3.1374410834
 C,0,-7.9314796263,-3.9914320246,-3.6045486515
 C,0,-7.8945091438,-2.8709179019,-4.4290885564
 C,0,-6.8338081073,-1.9539733283,-4.3404944576
 C,0,-5.7987063598,-2.1266512934,-3.4235030716
 C,0,-4.8643153203,-5.6597044165,-0.0437453957
 C,0,-5.5482259002,-6.8193340925,0.3149109636
 C,0,-6.7444098532,-7.1921606277,-0.3210434491
 C,0,-7.2872410919,-6.4003457041,-1.3283939214
 C,0,-8.6005516743,3.9606987049,-0.7523463398
 C,0,-8.8810887988,3.0344403373,-1.7523089706
 C,0,-7.8861135254,2.1543786466,-2.2090309542
 C,0,-6.5994506607,2.1730453831,-1.6750305221
 C,0,-4.479316411,4.951815269,1.8724525474
 C,0,-4.96764451,5.982653071,2.6725016048
 C,0,-6.2911229097,6.438695021,2.5543852088
 C,0,-7.1591965439,5.8589643396,1.6342628357
 C,0,8.2867365835,1.6176535242,-4.3669579442
 C,0,8.2236237341,0.4574465728,-5.1329230191
 C,0,7.214324076,-0.4937877347,-4.9073610519
 C,0,6.2555800653,-0.3140717329,-3.9126129965
 C,0,5.4711452495,3.3372261128,-0.6265825196
 C,0,6.1354006447,4.5362012187,-0.3775801551
 C,0,7.2587209299,4.921940395,-1.1285801044
 C,0,7.7451357678,4.1052299423,-2.1448161884
 O,0,0.0413569896,-3.4327843364,1.7153953385
 P,0,1.2559502977,-2.9608704384,1.0251007831
 O,0,2.5090000099,-2.6189828862,1.9623845155
 O,0,1.9094010975,-3.9536525564,-0.0596845263
 C,0,2.3399491804,-2.1986882269,3.3573493283
 C,0,2.9901435432,-0.8449898037,3.5589565773
 C,0,2.3276220842,-5.2892895224,0.3579704053
 C,0,1.188782487,-6.2866737191,0.2427051479
 H,0,-4.8291727612,0.7143238585,0.0689689585
 H,0,-0.5881721331,3.170865855,-0.6327933396
 H,0,-2.7325204119,4.421787325,-0.4046597858
 H,0,-4.772495797,-1.1239608052,-0.919142024
 H,0,-2.4672664077,-4.6690129042,-1.5531126874
 H,0,-0.4439184058,-3.4835317454,-0.867794792
 H,0,3.6155611893,-2.4645748515,-0.2686900981
 H,0,5.5117578761,-1.2164386187,-1.1426354552
 H,0,2.9560411224,2.1598194012,-1.8869133207
 H,0,-8.7442693291,-4.7075845197,-3.6839117493
 H,0,-8.6865495019,-2.7063112116,-5.1529575396
 H,0,-6.8124295307,-1.094936574,-5.0047208486
 H,0,-4.9751844977,-1.422998377,-3.3760411888
 H,0,-3.9497787375,-5.3721712345,0.4628523663
 H,0,-5.1472637683,-7.44393845,1.107612837
 H,0,-7.2513319834,-8.102919442,-0.0176823758
 H,0,-8.2187344092,-6.6827271859,-1.8105011667
 H,0,-9.3668018418,4.6490620134,-0.4075507639
 H,0,-9.8749819433,2.9923120451,-2.186827041
 H,0,-8.1195579288,1.4402750647,-2.9931030921
 H,0,-5.8369043445,1.4982116257,-2.0465151647
 H,0,-3.4609872057,4.5971607324,1.9833883068
 H,0,-4.3086294088,6.4380565621,3.4056949453
 H,0,-6.639301428,7.2452423928,3.1921327752
 H,0,-8.1866544983,6.2019031264,1.553170938
 H,0,9.0610040093,2.3572952613,-4.54969451
 H,0,8.9562276937,0.2861889435,-5.9155247594
 H,0,7.1755825695,-1.3878253861,-5.5227343223
 H,0,5.4728246699,-1.0474358697,-3.7531902936
 H,0,4.6090542979,3.0442742949,-0.0377938681
 H,0,5.7751962887,5.183993158,0.4161505863
 H,0,7.7514698037,5.8642853877,-0.910209355
 H,0,8.6187368427,4.4004782418,-2.7189387237
 H,0,1.2754699547,-2.183117092,3.5977206162
 H,0,2.8275129516,-2.975372027,3.9532105596
 H,0,2.9367832352,-0.5727645038,4.6183421924
 H,0,4.0421793544,-0.8664668246,3.2611867419
 H,0,2.4699345331,-0.0770437007,2.9820393
 H,0,3.1524540039,-5.5395414984,-0.313411005
 H,0,2.7229086578,-5.239528655,1.3774218598
 H,0,1.5467574641,-7.2847137744,0.5166827203
 H,0,0.3668706857,-6.0128162457,0.907880893
 H,0,0.8152053321,-6.328280138,-0.784458114
 Cl,0,-0.5014285236,-0.330387007,2.0547635562
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3969         calculate D2E/DX2 analytically  !
 ! R2    R(1,6)                  1.4046         calculate D2E/DX2 analytically  !
 ! R3    R(1,23)                 1.4156         calculate D2E/DX2 analytically  !
 ! R4    R(2,3)                  1.4002         calculate D2E/DX2 analytically  !
 ! R5    R(2,70)                 1.083          calculate D2E/DX2 analytically  !
 ! R6    R(3,4)                  1.4102         calculate D2E/DX2 analytically  !
 ! R7    R(3,7)                  1.4755         calculate D2E/DX2 analytically  !
 ! R8    R(4,5)                  1.4013         calculate D2E/DX2 analytically  !
 ! R9    R(4,10)                 1.4713         calculate D2E/DX2 analytically  !
 ! R10   R(5,6)                  1.387          calculate D2E/DX2 analytically  !
 ! R11   R(5,71)                 1.0838         calculate D2E/DX2 analytically  !
 ! R12   R(6,72)                 1.0842         calculate D2E/DX2 analytically  !
 ! R13   R(7,8)                  1.4169         calculate D2E/DX2 analytically  !
 ! R14   R(7,11)                 1.3999         calculate D2E/DX2 analytically  !
 ! R15   R(8,9)                  1.5009         calculate D2E/DX2 analytically  !
 ! R16   R(8,14)                 1.4005         calculate D2E/DX2 analytically  !
 ! R17   R(9,10)                 1.5047         calculate D2E/DX2 analytically  !
 ! R18   R(9,15)                 1.4253         calculate D2E/DX2 analytically  !
 ! R19   R(10,18)                1.2879         calculate D2E/DX2 analytically  !
 ! R20   R(11,12)                1.3958         calculate D2E/DX2 analytically  !
 ! R21   R(11,73)                1.0827         calculate D2E/DX2 analytically  !
 ! R22   R(12,13)                1.3993         calculate D2E/DX2 analytically  !
 ! R23   R(12,24)                1.4155         calculate D2E/DX2 analytically  !
 ! R24   R(13,14)                1.3884         calculate D2E/DX2 analytically  !
 ! R25   R(13,74)                1.0841         calculate D2E/DX2 analytically  !
 ! R26   R(14,75)                1.0801         calculate D2E/DX2 analytically  !
 ! R27   R(15,16)                1.4277         calculate D2E/DX2 analytically  !
 ! R28   R(15,63)                1.763          calculate D2E/DX2 analytically  !
 ! R29   R(16,17)                1.414          calculate D2E/DX2 analytically  !
 ! R30   R(16,19)                1.4041         calculate D2E/DX2 analytically  !
 ! R31   R(17,18)                1.3837         calculate D2E/DX2 analytically  !
 ! R32   R(17,22)                1.4035         calculate D2E/DX2 analytically  !
 ! R33   R(19,20)                1.3894         calculate D2E/DX2 analytically  !
 ! R34   R(19,76)                1.0781         calculate D2E/DX2 analytically  !
 ! R35   R(20,21)                1.4028         calculate D2E/DX2 analytically  !
 ! R36   R(20,77)                1.0845         calculate D2E/DX2 analytically  !
 ! R37   R(21,22)                1.3891         calculate D2E/DX2 analytically  !
 ! R38   R(21,25)                1.4181         calculate D2E/DX2 analytically  !
 ! R39   R(22,78)                1.0837         calculate D2E/DX2 analytically  !
 ! R40   R(23,30)                1.4032         calculate D2E/DX2 analytically  !
 ! R41   R(23,33)                1.4033         calculate D2E/DX2 analytically  !
 ! R42   R(24,26)                1.4025         calculate D2E/DX2 analytically  !
 ! R43   R(24,29)                1.4021         calculate D2E/DX2 analytically  !
 ! R44   R(25,34)                1.4008         calculate D2E/DX2 analytically  !
 ! R45   R(25,37)                1.4002         calculate D2E/DX2 analytically  !
 ! R46   R(26,27)                1.4173         calculate D2E/DX2 analytically  !
 ! R47   R(26,42)                1.3973         calculate D2E/DX2 analytically  !
 ! R48   R(27,28)                1.4484         calculate D2E/DX2 analytically  !
 ! R49   R(27,45)                1.3996         calculate D2E/DX2 analytically  !
 ! R50   R(28,29)                1.4179         calculate D2E/DX2 analytically  !
 ! R51   R(28,38)                1.3995         calculate D2E/DX2 analytically  !
 ! R52   R(29,41)                1.3978         calculate D2E/DX2 analytically  !
 ! R53   R(30,31)                1.4174         calculate D2E/DX2 analytically  !
 ! R54   R(30,50)                1.3976         calculate D2E/DX2 analytically  !
 ! R55   R(31,32)                1.4482         calculate D2E/DX2 analytically  !
 ! R56   R(31,53)                1.3994         calculate D2E/DX2 analytically  !
 ! R57   R(32,33)                1.4175         calculate D2E/DX2 analytically  !
 ! R58   R(32,46)                1.3994         calculate D2E/DX2 analytically  !
 ! R59   R(33,49)                1.3977         calculate D2E/DX2 analytically  !
 ! R60   R(34,35)                1.418          calculate D2E/DX2 analytically  !
 ! R61   R(34,58)                1.3974         calculate D2E/DX2 analytically  !
 ! R62   R(35,36)                1.4482         calculate D2E/DX2 analytically  !
 ! R63   R(35,61)                1.3997         calculate D2E/DX2 analytically  !
 ! R64   R(36,37)                1.4182         calculate D2E/DX2 analytically  !
 ! R65   R(36,54)                1.3996         calculate D2E/DX2 analytically  !
 ! R66   R(37,57)                1.3976         calculate D2E/DX2 analytically  !
 ! R67   R(38,39)                1.3917         calculate D2E/DX2 analytically  !
 ! R68   R(38,79)                1.0862         calculate D2E/DX2 analytically  !
 ! R69   R(39,40)                1.4049         calculate D2E/DX2 analytically  !
 ! R70   R(39,80)                1.0855         calculate D2E/DX2 analytically  !
 ! R71   R(40,41)                1.3936         calculate D2E/DX2 analytically  !
 ! R72   R(40,81)                1.0861         calculate D2E/DX2 analytically  !
 ! R73   R(41,82)                1.0842         calculate D2E/DX2 analytically  !
 ! R74   R(42,43)                1.3932         calculate D2E/DX2 analytically  !
 ! R75   R(42,83)                1.0843         calculate D2E/DX2 analytically  !
 ! R76   R(43,44)                1.4051         calculate D2E/DX2 analytically  !
 ! R77   R(43,84)                1.0859         calculate D2E/DX2 analytically  !
 ! R78   R(44,45)                1.3915         calculate D2E/DX2 analytically  !
 ! R79   R(44,85)                1.0856         calculate D2E/DX2 analytically  !
 ! R80   R(45,86)                1.0862         calculate D2E/DX2 analytically  !
 ! R81   R(46,47)                1.3916         calculate D2E/DX2 analytically  !
 ! R82   R(46,87)                1.0862         calculate D2E/DX2 analytically  !
 ! R83   R(47,48)                1.4047         calculate D2E/DX2 analytically  !
 ! R84   R(47,88)                1.0855         calculate D2E/DX2 analytically  !
 ! R85   R(48,49)                1.3932         calculate D2E/DX2 analytically  !
 ! R86   R(48,89)                1.0859         calculate D2E/DX2 analytically  !
 ! R87   R(49,90)                1.0839         calculate D2E/DX2 analytically  !
 ! R88   R(50,51)                1.3933         calculate D2E/DX2 analytically  !
 ! R89   R(50,91)                1.084          calculate D2E/DX2 analytically  !
 ! R90   R(51,52)                1.4048         calculate D2E/DX2 analytically  !
 ! R91   R(51,92)                1.0859         calculate D2E/DX2 analytically  !
 ! R92   R(52,53)                1.3915         calculate D2E/DX2 analytically  !
 ! R93   R(52,93)                1.0856         calculate D2E/DX2 analytically  !
 ! R94   R(53,94)                1.0862         calculate D2E/DX2 analytically  !
 ! R95   R(54,55)                1.3917         calculate D2E/DX2 analytically  !
 ! R96   R(54,95)                1.0863         calculate D2E/DX2 analytically  !
 ! R97   R(55,56)                1.4051         calculate D2E/DX2 analytically  !
 ! R98   R(55,96)                1.0856         calculate D2E/DX2 analytically  !
 ! R99   R(56,57)                1.3932         calculate D2E/DX2 analytically  !
 ! R100  R(56,97)                1.086          calculate D2E/DX2 analytically  !
 ! R101  R(57,98)                1.0844         calculate D2E/DX2 analytically  !
 ! R102  R(58,59)                1.3931         calculate D2E/DX2 analytically  !
 ! R103  R(58,99)                1.0843         calculate D2E/DX2 analytically  !
 ! R104  R(59,60)                1.4052         calculate D2E/DX2 analytically  !
 ! R105  R(59,100)               1.086          calculate D2E/DX2 analytically  !
 ! R106  R(60,61)                1.3915         calculate D2E/DX2 analytically  !
 ! R107  R(60,101)               1.0856         calculate D2E/DX2 analytically  !
 ! R108  R(61,102)               1.0863         calculate D2E/DX2 analytically  !
 ! R109  R(62,63)                1.4746         calculate D2E/DX2 analytically  !
 ! R110  R(63,64)                1.6017         calculate D2E/DX2 analytically  !
 ! R111  R(63,65)                1.6092         calculate D2E/DX2 analytically  !
 ! R112  R(64,66)                1.4667         calculate D2E/DX2 analytically  !
 ! R113  R(65,68)                1.4606         calculate D2E/DX2 analytically  !
 ! R114  R(66,67)                1.5152         calculate D2E/DX2 analytically  !
 ! R115  R(66,103)               1.0914         calculate D2E/DX2 analytically  !
 ! R116  R(66,104)               1.0936         calculate D2E/DX2 analytically  !
 ! R117  R(67,105)               1.0951         calculate D2E/DX2 analytically  !
 ! R118  R(67,106)               1.0936         calculate D2E/DX2 analytically  !
 ! R119  R(67,107)               1.0923         calculate D2E/DX2 analytically  !
 ! R120  R(68,69)                1.5182         calculate D2E/DX2 analytically  !
 ! R121  R(68,108)               1.0926         calculate D2E/DX2 analytically  !
 ! R122  R(68,109)               1.0945         calculate D2E/DX2 analytically  !
 ! R123  R(69,110)               1.0951         calculate D2E/DX2 analytically  !
 ! R124  R(69,111)               1.0922         calculate D2E/DX2 analytically  !
 ! R125  R(69,112)               1.0938         calculate D2E/DX2 analytically  !
 ! R126  R(103,113)              2.9951         calculate D2E/DX2 analytically  !
 ! A1    A(2,1,6)              119.6899         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,23)             119.9979         calculate D2E/DX2 analytically  !
 ! A3    A(6,1,23)             120.3109         calculate D2E/DX2 analytically  !
 ! A4    A(1,2,3)              120.9175         calculate D2E/DX2 analytically  !
 ! A5    A(1,2,70)             118.5905         calculate D2E/DX2 analytically  !
 ! A6    A(3,2,70)             120.4779         calculate D2E/DX2 analytically  !
 ! A7    A(2,3,4)              118.9405         calculate D2E/DX2 analytically  !
 ! A8    A(2,3,7)              122.7247         calculate D2E/DX2 analytically  !
 ! A9    A(4,3,7)              118.1229         calculate D2E/DX2 analytically  !
 ! A10   A(3,4,5)              119.7885         calculate D2E/DX2 analytically  !
 ! A11   A(3,4,10)             120.0407         calculate D2E/DX2 analytically  !
 ! A12   A(5,4,10)             120.149          calculate D2E/DX2 analytically  !
 ! A13   A(4,5,6)              120.7786         calculate D2E/DX2 analytically  !
 ! A14   A(4,5,71)             118.4456         calculate D2E/DX2 analytically  !
 ! A15   A(6,5,71)             120.7756         calculate D2E/DX2 analytically  !
 ! A16   A(1,6,5)              119.7556         calculate D2E/DX2 analytically  !
 ! A17   A(1,6,72)             119.6735         calculate D2E/DX2 analytically  !
 ! A18   A(5,6,72)             120.5706         calculate D2E/DX2 analytically  !
 ! A19   A(3,7,8)              120.1            calculate D2E/DX2 analytically  !
 ! A20   A(3,7,11)             120.4144         calculate D2E/DX2 analytically  !
 ! A21   A(8,7,11)             119.142          calculate D2E/DX2 analytically  !
 ! A22   A(7,8,9)              118.5925         calculate D2E/DX2 analytically  !
 ! A23   A(7,8,14)             118.5887         calculate D2E/DX2 analytically  !
 ! A24   A(9,8,14)             122.568          calculate D2E/DX2 analytically  !
 ! A25   A(8,9,10)             111.1806         calculate D2E/DX2 analytically  !
 ! A26   A(8,9,15)             117.648          calculate D2E/DX2 analytically  !
 ! A27   A(10,9,15)            115.4729         calculate D2E/DX2 analytically  !
 ! A28   A(4,10,9)             116.102          calculate D2E/DX2 analytically  !
 ! A29   A(4,10,18)            119.3807         calculate D2E/DX2 analytically  !
 ! A30   A(9,10,18)            124.3738         calculate D2E/DX2 analytically  !
 ! A31   A(7,11,12)            121.3937         calculate D2E/DX2 analytically  !
 ! A32   A(7,11,73)            120.0897         calculate D2E/DX2 analytically  !
 ! A33   A(12,11,73)           118.4837         calculate D2E/DX2 analytically  !
 ! A34   A(11,12,13)           119.184          calculate D2E/DX2 analytically  !
 ! A35   A(11,12,24)           120.2674         calculate D2E/DX2 analytically  !
 ! A36   A(13,12,24)           120.5045         calculate D2E/DX2 analytically  !
 ! A37   A(12,13,14)           119.8476         calculate D2E/DX2 analytically  !
 ! A38   A(12,13,74)           119.8311         calculate D2E/DX2 analytically  !
 ! A39   A(14,13,74)           120.299          calculate D2E/DX2 analytically  !
 ! A40   A(8,14,13)            121.5579         calculate D2E/DX2 analytically  !
 ! A41   A(8,14,75)            120.3313         calculate D2E/DX2 analytically  !
 ! A42   A(13,14,75)           118.0267         calculate D2E/DX2 analytically  !
 ! A43   A(9,15,16)            119.2819         calculate D2E/DX2 analytically  !
 ! A44   A(9,15,63)            117.847          calculate D2E/DX2 analytically  !
 ! A45   A(16,15,63)           119.361          calculate D2E/DX2 analytically  !
 ! A46   A(15,16,17)           118.9931         calculate D2E/DX2 analytically  !
 ! A47   A(15,16,19)           123.1608         calculate D2E/DX2 analytically  !
 ! A48   A(17,16,19)           117.8012         calculate D2E/DX2 analytically  !
 ! A49   A(16,17,18)           122.6847         calculate D2E/DX2 analytically  !
 ! A50   A(16,17,22)           120.5817         calculate D2E/DX2 analytically  !
 ! A51   A(18,17,22)           116.7207         calculate D2E/DX2 analytically  !
 ! A52   A(10,18,17)           119.0898         calculate D2E/DX2 analytically  !
 ! A53   A(16,19,20)           121.0161         calculate D2E/DX2 analytically  !
 ! A54   A(16,19,76)           120.6778         calculate D2E/DX2 analytically  !
 ! A55   A(20,19,76)           118.3054         calculate D2E/DX2 analytically  !
 ! A56   A(19,20,21)           121.1338         calculate D2E/DX2 analytically  !
 ! A57   A(19,20,77)           119.3644         calculate D2E/DX2 analytically  !
 ! A58   A(21,20,77)           119.5016         calculate D2E/DX2 analytically  !
 ! A59   A(20,21,22)           118.4522         calculate D2E/DX2 analytically  !
 ! A60   A(20,21,25)           120.6198         calculate D2E/DX2 analytically  !
 ! A61   A(22,21,25)           120.928          calculate D2E/DX2 analytically  !
 ! A62   A(17,22,21)           120.9916         calculate D2E/DX2 analytically  !
 ! A63   A(17,22,78)           117.5605         calculate D2E/DX2 analytically  !
 ! A64   A(21,22,78)           121.4462         calculate D2E/DX2 analytically  !
 ! A65   A(1,23,30)            125.8244         calculate D2E/DX2 analytically  !
 ! A66   A(1,23,33)            125.8775         calculate D2E/DX2 analytically  !
 ! A67   A(30,23,33)           108.2979         calculate D2E/DX2 analytically  !
 ! A68   A(12,24,26)           125.541          calculate D2E/DX2 analytically  !
 ! A69   A(12,24,29)           126.0827         calculate D2E/DX2 analytically  !
 ! A70   A(26,24,29)           108.3721         calculate D2E/DX2 analytically  !
 ! A71   A(21,25,34)           125.8323         calculate D2E/DX2 analytically  !
 ! A72   A(21,25,37)           125.771          calculate D2E/DX2 analytically  !
 ! A73   A(34,25,37)           108.3935         calculate D2E/DX2 analytically  !
 ! A74   A(24,26,27)           108.8893         calculate D2E/DX2 analytically  !
 ! A75   A(24,26,42)           129.4114         calculate D2E/DX2 analytically  !
 ! A76   A(27,26,42)           121.6645         calculate D2E/DX2 analytically  !
 ! A77   A(26,27,28)           106.9314         calculate D2E/DX2 analytically  !
 ! A78   A(26,27,45)           119.5196         calculate D2E/DX2 analytically  !
 ! A79   A(28,27,45)           133.5452         calculate D2E/DX2 analytically  !
 ! A80   A(27,28,29)           106.9395         calculate D2E/DX2 analytically  !
 ! A81   A(27,28,38)           133.5066         calculate D2E/DX2 analytically  !
 ! A82   A(29,28,38)           119.5482         calculate D2E/DX2 analytically  !
 ! A83   A(24,29,28)           108.8675         calculate D2E/DX2 analytically  !
 ! A84   A(24,29,41)           129.5777         calculate D2E/DX2 analytically  !
 ! A85   A(28,29,41)           121.5089         calculate D2E/DX2 analytically  !
 ! A86   A(23,30,31)           108.9008         calculate D2E/DX2 analytically  !
 ! A87   A(23,30,50)           129.543          calculate D2E/DX2 analytically  !
 ! A88   A(31,30,50)           121.5138         calculate D2E/DX2 analytically  !
 ! A89   A(30,31,32)           106.9563         calculate D2E/DX2 analytically  !
 ! A90   A(30,31,53)           119.5942         calculate D2E/DX2 analytically  !
 ! A91   A(32,31,53)           133.4429         calculate D2E/DX2 analytically  !
 ! A92   A(31,32,33)           106.9474         calculate D2E/DX2 analytically  !
 ! A93   A(31,32,46)           133.4466         calculate D2E/DX2 analytically  !
 ! A94   A(33,32,46)           119.6036         calculate D2E/DX2 analytically  !
 ! A95   A(23,33,32)           108.8973         calculate D2E/DX2 analytically  !
 ! A96   A(23,33,49)           129.6578         calculate D2E/DX2 analytically  !
 ! A97   A(32,33,49)           121.4128         calculate D2E/DX2 analytically  !
 ! A98   A(25,34,35)           108.9111         calculate D2E/DX2 analytically  !
 ! A99   A(25,34,58)           129.4556         calculate D2E/DX2 analytically  !
 ! A100  A(35,34,58)           121.6128         calculate D2E/DX2 analytically  !
 ! A101  A(34,35,36)           106.8887         calculate D2E/DX2 analytically  !
 ! A102  A(34,35,61)           119.5049         calculate D2E/DX2 analytically  !
 ! A103  A(36,35,61)           133.6039         calculate D2E/DX2 analytically  !
 ! A104  A(35,36,37)           106.8719         calculate D2E/DX2 analytically  !
 ! A105  A(35,36,54)           133.6266         calculate D2E/DX2 analytically  !
 ! A106  A(37,36,54)           119.4982         calculate D2E/DX2 analytically  !
 ! A107  A(25,37,36)           108.9347         calculate D2E/DX2 analytically  !
 ! A108  A(25,37,57)           129.4511         calculate D2E/DX2 analytically  !
 ! A109  A(36,37,57)           121.5905         calculate D2E/DX2 analytically  !
 ! A110  A(28,38,39)           119.1915         calculate D2E/DX2 analytically  !
 ! A111  A(28,38,79)           120.3137         calculate D2E/DX2 analytically  !
 ! A112  A(39,38,79)           120.4939         calculate D2E/DX2 analytically  !
 ! A113  A(38,39,40)           120.544          calculate D2E/DX2 analytically  !
 ! A114  A(38,39,80)           119.8535         calculate D2E/DX2 analytically  !
 ! A115  A(40,39,80)           119.6006         calculate D2E/DX2 analytically  !
 ! A116  A(39,40,41)           121.4265         calculate D2E/DX2 analytically  !
 ! A117  A(39,40,81)           119.5068         calculate D2E/DX2 analytically  !
 ! A118  A(41,40,81)           119.0649         calculate D2E/DX2 analytically  !
 ! A119  A(29,41,40)           117.7634         calculate D2E/DX2 analytically  !
 ! A120  A(29,41,82)           121.3982         calculate D2E/DX2 analytically  !
 ! A121  A(40,41,82)           120.8332         calculate D2E/DX2 analytically  !
 ! A122  A(26,42,43)           117.621          calculate D2E/DX2 analytically  !
 ! A123  A(26,42,83)           121.4141         calculate D2E/DX2 analytically  !
 ! A124  A(43,42,83)           120.962          calculate D2E/DX2 analytically  !
 ! A125  A(42,43,44)           121.482          calculate D2E/DX2 analytically  !
 ! A126  A(42,43,84)           119.0385         calculate D2E/DX2 analytically  !
 ! A127  A(44,43,84)           119.4788         calculate D2E/DX2 analytically  !
 ! A128  A(43,44,45)           120.581          calculate D2E/DX2 analytically  !
 ! A129  A(43,44,85)           119.5816         calculate D2E/DX2 analytically  !
 ! A130  A(45,44,85)           119.8362         calculate D2E/DX2 analytically  !
 ! A131  A(27,45,44)           119.12           calculate D2E/DX2 analytically  !
 ! A132  A(27,45,86)           120.3547         calculate D2E/DX2 analytically  !
 ! A133  A(44,45,86)           120.5244         calculate D2E/DX2 analytically  !
 ! A134  A(32,46,47)           119.1891         calculate D2E/DX2 analytically  !
 ! A135  A(32,46,87)           120.3004         calculate D2E/DX2 analytically  !
 ! A136  A(47,46,87)           120.5102         calculate D2E/DX2 analytically  !
 ! A137  A(46,47,48)           120.5216         calculate D2E/DX2 analytically  !
 ! A138  A(46,47,88)           119.8696         calculate D2E/DX2 analytically  !
 ! A139  A(48,47,88)           119.6085         calculate D2E/DX2 analytically  !
 ! A140  A(47,48,49)           121.4095         calculate D2E/DX2 analytically  !
 ! A141  A(47,48,89)           119.637          calculate D2E/DX2 analytically  !
 ! A142  A(49,48,89)           118.9534         calculate D2E/DX2 analytically  !
 ! A143  A(33,49,48)           117.8494         calculate D2E/DX2 analytically  !
 ! A144  A(33,49,90)           121.4851         calculate D2E/DX2 analytically  !
 ! A145  A(48,49,90)           120.6643         calculate D2E/DX2 analytically  !
 ! A146  A(30,50,51)           117.7234         calculate D2E/DX2 analytically  !
 ! A147  A(30,50,91)           121.4393         calculate D2E/DX2 analytically  !
 ! A148  A(51,50,91)           120.8342         calculate D2E/DX2 analytically  !
 ! A149  A(50,51,52)           121.4733         calculate D2E/DX2 analytically  !
 ! A150  A(50,51,92)           119.0306         calculate D2E/DX2 analytically  !
 ! A151  A(52,51,92)           119.4954         calculate D2E/DX2 analytically  !
 ! A152  A(51,52,53)           120.5353         calculate D2E/DX2 analytically  !
 ! A153  A(51,52,93)           119.6008         calculate D2E/DX2 analytically  !
 ! A154  A(53,52,93)           119.8624         calculate D2E/DX2 analytically  !
 ! A155  A(31,53,52)           119.1445         calculate D2E/DX2 analytically  !
 ! A156  A(31,53,94)           120.3286         calculate D2E/DX2 analytically  !
 ! A157  A(52,53,94)           120.5259         calculate D2E/DX2 analytically  !
 ! A158  A(36,54,55)           119.1758         calculate D2E/DX2 analytically  !
 ! A159  A(36,54,95)           120.3333         calculate D2E/DX2 analytically  !
 ! A160  A(55,54,95)           120.4903         calculate D2E/DX2 analytically  !
 ! A161  A(54,55,56)           120.5703         calculate D2E/DX2 analytically  !
 ! A162  A(54,55,96)           119.8472         calculate D2E/DX2 analytically  !
 ! A163  A(56,55,96)           119.5817         calculate D2E/DX2 analytically  !
 ! A164  A(55,56,57)           121.439          calculate D2E/DX2 analytically  !
 ! A165  A(55,56,97)           119.4689         calculate D2E/DX2 analytically  !
 ! A166  A(57,56,97)           119.0917         calculate D2E/DX2 analytically  !
 ! A167  A(37,57,56)           117.7178         calculate D2E/DX2 analytically  !
 ! A168  A(37,57,98)           121.3188         calculate D2E/DX2 analytically  !
 ! A169  A(56,57,98)           120.9615         calculate D2E/DX2 analytically  !
 ! A170  A(34,58,59)           117.6899         calculate D2E/DX2 analytically  !
 ! A171  A(34,58,99)           121.3412         calculate D2E/DX2 analytically  !
 ! A172  A(59,58,99)           120.9686         calculate D2E/DX2 analytically  !
 ! A173  A(58,59,60)           121.4588         calculate D2E/DX2 analytically  !
 ! A174  A(58,59,100)          119.0684         calculate D2E/DX2 analytically  !
 ! A175  A(60,59,100)          119.4727         calculate D2E/DX2 analytically  !
 ! A176  A(59,60,61)           120.5719         calculate D2E/DX2 analytically  !
 ! A177  A(59,60,101)          119.579          calculate D2E/DX2 analytically  !
 ! A178  A(61,60,101)          119.8488         calculate D2E/DX2 analytically  !
 ! A179  A(35,61,60)           119.1556         calculate D2E/DX2 analytically  !
 ! A180  A(35,61,102)          120.341          calculate D2E/DX2 analytically  !
 ! A181  A(60,61,102)          120.5029         calculate D2E/DX2 analytically  !
 ! A182  A(15,63,62)           115.3538         calculate D2E/DX2 analytically  !
 ! A183  A(15,63,64)           105.7414         calculate D2E/DX2 analytically  !
 ! A184  A(15,63,65)            98.4638         calculate D2E/DX2 analytically  !
 ! A185  A(62,63,64)           116.0242         calculate D2E/DX2 analytically  !
 ! A186  A(62,63,65)           116.9116         calculate D2E/DX2 analytically  !
 ! A187  A(64,63,65)           102.0339         calculate D2E/DX2 analytically  !
 ! A188  A(63,64,66)           121.8404         calculate D2E/DX2 analytically  !
 ! A189  A(63,65,68)           119.1891         calculate D2E/DX2 analytically  !
 ! A190  A(64,66,67)           109.4572         calculate D2E/DX2 analytically  !
 ! A191  A(64,66,103)          109.025          calculate D2E/DX2 analytically  !
 ! A192  A(64,66,104)          105.2665         calculate D2E/DX2 analytically  !
 ! A193  A(67,66,103)          112.1156         calculate D2E/DX2 analytically  !
 ! A194  A(67,66,104)          111.7579         calculate D2E/DX2 analytically  !
 ! A195  A(103,66,104)         108.9634         calculate D2E/DX2 analytically  !
 ! A196  A(66,67,105)          109.2622         calculate D2E/DX2 analytically  !
 ! A197  A(66,67,106)          111.0408         calculate D2E/DX2 analytically  !
 ! A198  A(66,67,107)          110.699          calculate D2E/DX2 analytically  !
 ! A199  A(105,67,106)         108.3709         calculate D2E/DX2 analytically  !
 ! A200  A(105,67,107)         108.2375         calculate D2E/DX2 analytically  !
 ! A201  A(106,67,107)         109.1561         calculate D2E/DX2 analytically  !
 ! A202  A(65,68,69)           111.3614         calculate D2E/DX2 analytically  !
 ! A203  A(65,68,108)          104.4721         calculate D2E/DX2 analytically  !
 ! A204  A(65,68,109)          109.1579         calculate D2E/DX2 analytically  !
 ! A205  A(69,68,108)          111.6642         calculate D2E/DX2 analytically  !
 ! A206  A(69,68,109)          111.8068         calculate D2E/DX2 analytically  !
 ! A207  A(108,68,109)         108.0658         calculate D2E/DX2 analytically  !
 ! A208  A(68,69,110)          109.5428         calculate D2E/DX2 analytically  !
 ! A209  A(68,69,111)          110.702          calculate D2E/DX2 analytically  !
 ! A210  A(68,69,112)          110.6393         calculate D2E/DX2 analytically  !
 ! A211  A(110,69,111)         108.7912         calculate D2E/DX2 analytically  !
 ! A212  A(110,69,112)         108.175          calculate D2E/DX2 analytically  !
 ! A213  A(111,69,112)         108.9312         calculate D2E/DX2 analytically  !
 ! A214  A(66,103,113)         118.2944         calculate D2E/DX2 analytically  !
 ! D1    D(6,1,2,3)             -0.0934         calculate D2E/DX2 analytically  !
 ! D2    D(6,1,2,70)           178.5468         calculate D2E/DX2 analytically  !
 ! D3    D(23,1,2,3)           179.4885         calculate D2E/DX2 analytically  !
 ! D4    D(23,1,2,70)           -1.8713         calculate D2E/DX2 analytically  !
 ! D5    D(2,1,6,5)             -2.1329         calculate D2E/DX2 analytically  !
 ! D6    D(2,1,6,72)           178.0785         calculate D2E/DX2 analytically  !
 ! D7    D(23,1,6,5)           178.2865         calculate D2E/DX2 analytically  !
 ! D8    D(23,1,6,72)           -1.5021         calculate D2E/DX2 analytically  !
 ! D9    D(2,1,23,30)          129.5774         calculate D2E/DX2 analytically  !
 ! D10   D(2,1,23,33)          -50.2529         calculate D2E/DX2 analytically  !
 ! D11   D(6,1,23,30)          -50.8433         calculate D2E/DX2 analytically  !
 ! D12   D(6,1,23,33)          129.3264         calculate D2E/DX2 analytically  !
 ! D13   D(1,2,3,4)              3.1616         calculate D2E/DX2 analytically  !
 ! D14   D(1,2,3,7)           -171.4451         calculate D2E/DX2 analytically  !
 ! D15   D(70,2,3,4)          -175.453          calculate D2E/DX2 analytically  !
 ! D16   D(70,2,3,7)             9.9403         calculate D2E/DX2 analytically  !
 ! D17   D(2,3,4,5)             -4.0277         calculate D2E/DX2 analytically  !
 ! D18   D(2,3,4,10)           174.2784         calculate D2E/DX2 analytically  !
 ! D19   D(7,3,4,5)            170.8284         calculate D2E/DX2 analytically  !
 ! D20   D(7,3,4,10)           -10.8656         calculate D2E/DX2 analytically  !
 ! D21   D(2,3,7,8)           -167.0714         calculate D2E/DX2 analytically  !
 ! D22   D(2,3,7,11)            19.7167         calculate D2E/DX2 analytically  !
 ! D23   D(4,3,7,8)             18.2801         calculate D2E/DX2 analytically  !
 ! D24   D(4,3,7,11)          -154.9318         calculate D2E/DX2 analytically  !
 ! D25   D(3,4,5,6)              1.8627         calculate D2E/DX2 analytically  !
 ! D26   D(3,4,5,71)          -178.299          calculate D2E/DX2 analytically  !
 ! D27   D(10,4,5,6)          -176.4414         calculate D2E/DX2 analytically  !
 ! D28   D(10,4,5,71)            3.3968         calculate D2E/DX2 analytically  !
 ! D29   D(3,4,10,9)           -20.8006         calculate D2E/DX2 analytically  !
 ! D30   D(3,4,10,18)          163.3632         calculate D2E/DX2 analytically  !
 ! D31   D(5,4,10,9)           157.4992         calculate D2E/DX2 analytically  !
 ! D32   D(5,4,10,18)          -18.3369         calculate D2E/DX2 analytically  !
 ! D33   D(4,5,6,1)              1.243          calculate D2E/DX2 analytically  !
 ! D34   D(4,5,6,72)          -178.9703         calculate D2E/DX2 analytically  !
 ! D35   D(71,5,6,1)          -178.5914         calculate D2E/DX2 analytically  !
 ! D36   D(71,5,6,72)            1.1952         calculate D2E/DX2 analytically  !
 ! D37   D(3,7,8,9)              7.0414         calculate D2E/DX2 analytically  !
 ! D38   D(3,7,8,14)          -167.3564         calculate D2E/DX2 analytically  !
 ! D39   D(11,7,8,9)          -179.6606         calculate D2E/DX2 analytically  !
 ! D40   D(11,7,8,14)            5.9416         calculate D2E/DX2 analytically  !
 ! D41   D(3,7,11,12)          170.5429         calculate D2E/DX2 analytically  !
 ! D42   D(3,7,11,73)           -7.3389         calculate D2E/DX2 analytically  !
 ! D43   D(8,7,11,12)           -2.7335         calculate D2E/DX2 analytically  !
 ! D44   D(8,7,11,73)          179.3847         calculate D2E/DX2 analytically  !
 ! D45   D(7,8,9,10)           -36.9326         calculate D2E/DX2 analytically  !
 ! D46   D(7,8,9,15)          -173.2921         calculate D2E/DX2 analytically  !
 ! D47   D(14,8,9,10)          137.2296         calculate D2E/DX2 analytically  !
 ! D48   D(14,8,9,15)            0.8701         calculate D2E/DX2 analytically  !
 ! D49   D(7,8,14,13)           -4.7573         calculate D2E/DX2 analytically  !
 ! D50   D(7,8,14,75)          171.8427         calculate D2E/DX2 analytically  !
 ! D51   D(9,8,14,13)         -178.9196         calculate D2E/DX2 analytically  !
 ! D52   D(9,8,14,75)           -2.3197         calculate D2E/DX2 analytically  !
 ! D53   D(8,9,10,4)            43.5035         calculate D2E/DX2 analytically  !
 ! D54   D(8,9,10,18)         -140.8929         calculate D2E/DX2 analytically  !
 ! D55   D(15,9,10,4)         -179.1182         calculate D2E/DX2 analytically  !
 ! D56   D(15,9,10,18)          -3.5146         calculate D2E/DX2 analytically  !
 ! D57   D(8,9,15,16)          138.1081         calculate D2E/DX2 analytically  !
 ! D58   D(8,9,15,63)          -63.1427         calculate D2E/DX2 analytically  !
 ! D59   D(10,9,15,16)           3.5715         calculate D2E/DX2 analytically  !
 ! D60   D(10,9,15,63)         162.3207         calculate D2E/DX2 analytically  !
 ! D61   D(4,10,18,17)         177.455          calculate D2E/DX2 analytically  !
 ! D62   D(9,10,18,17)           1.986          calculate D2E/DX2 analytically  !
 ! D63   D(7,11,12,13)          -1.8422         calculate D2E/DX2 analytically  !
 ! D64   D(7,11,12,24)        -179.4383         calculate D2E/DX2 analytically  !
 ! D65   D(73,11,12,13)        176.0727         calculate D2E/DX2 analytically  !
 ! D66   D(73,11,12,24)         -1.5234         calculate D2E/DX2 analytically  !
 ! D67   D(11,12,13,14)          3.1291         calculate D2E/DX2 analytically  !
 ! D68   D(11,12,13,74)       -175.1568         calculate D2E/DX2 analytically  !
 ! D69   D(24,12,13,14)       -179.2806         calculate D2E/DX2 analytically  !
 ! D70   D(24,12,13,74)          2.4334         calculate D2E/DX2 analytically  !
 ! D71   D(11,12,24,26)       -128.0737         calculate D2E/DX2 analytically  !
 ! D72   D(11,12,24,29)         51.0927         calculate D2E/DX2 analytically  !
 ! D73   D(13,12,24,26)         54.3622         calculate D2E/DX2 analytically  !
 ! D74   D(13,12,24,29)       -126.4714         calculate D2E/DX2 analytically  !
 ! D75   D(12,13,14,8)           0.2008         calculate D2E/DX2 analytically  !
 ! D76   D(12,13,14,75)       -176.4748         calculate D2E/DX2 analytically  !
 ! D77   D(74,13,14,8)         178.4786         calculate D2E/DX2 analytically  !
 ! D78   D(74,13,14,75)          1.803          calculate D2E/DX2 analytically  !
 ! D79   D(9,15,16,17)          -2.4727         calculate D2E/DX2 analytically  !
 ! D80   D(9,15,16,19)        -179.9799         calculate D2E/DX2 analytically  !
 ! D81   D(63,15,16,17)       -160.8981         calculate D2E/DX2 analytically  !
 ! D82   D(63,15,16,19)         21.5947         calculate D2E/DX2 analytically  !
 ! D83   D(9,15,63,62)           8.8385         calculate D2E/DX2 analytically  !
 ! D84   D(9,15,63,64)        -120.8039         calculate D2E/DX2 analytically  !
 ! D85   D(9,15,63,65)         134.0701         calculate D2E/DX2 analytically  !
 ! D86   D(16,15,63,62)        167.5704         calculate D2E/DX2 analytically  !
 ! D87   D(16,15,63,64)         37.9279         calculate D2E/DX2 analytically  !
 ! D88   D(16,15,63,65)        -67.198          calculate D2E/DX2 analytically  !
 ! D89   D(15,16,17,18)          0.8374         calculate D2E/DX2 analytically  !
 ! D90   D(15,16,17,22)       -177.8088         calculate D2E/DX2 analytically  !
 ! D91   D(19,16,17,18)        178.4784         calculate D2E/DX2 analytically  !
 ! D92   D(19,16,17,22)         -0.1678         calculate D2E/DX2 analytically  !
 ! D93   D(15,16,19,20)        178.9375         calculate D2E/DX2 analytically  !
 ! D94   D(15,16,19,76)         -1.373          calculate D2E/DX2 analytically  !
 ! D95   D(17,16,19,20)          1.4024         calculate D2E/DX2 analytically  !
 ! D96   D(17,16,19,76)       -178.908          calculate D2E/DX2 analytically  !
 ! D97   D(16,17,18,10)         -0.5882         calculate D2E/DX2 analytically  !
 ! D98   D(22,17,18,10)        178.107          calculate D2E/DX2 analytically  !
 ! D99   D(16,17,22,21)         -1.0616         calculate D2E/DX2 analytically  !
 ! D100  D(16,17,22,78)        178.4658         calculate D2E/DX2 analytically  !
 ! D101  D(18,17,22,21)       -179.7859         calculate D2E/DX2 analytically  !
 ! D102  D(18,17,22,78)         -0.2586         calculate D2E/DX2 analytically  !
 ! D103  D(16,19,20,21)         -1.447          calculate D2E/DX2 analytically  !
 ! D104  D(16,19,20,77)        178.3912         calculate D2E/DX2 analytically  !
 ! D105  D(76,19,20,21)        178.8562         calculate D2E/DX2 analytically  !
 ! D106  D(76,19,20,77)         -1.3055         calculate D2E/DX2 analytically  !
 ! D107  D(19,20,21,22)          0.1994         calculate D2E/DX2 analytically  !
 ! D108  D(19,20,21,25)       -179.7914         calculate D2E/DX2 analytically  !
 ! D109  D(77,20,21,22)       -179.6386         calculate D2E/DX2 analytically  !
 ! D110  D(77,20,21,25)          0.3706         calculate D2E/DX2 analytically  !
 ! D111  D(20,21,22,17)          1.0417         calculate D2E/DX2 analytically  !
 ! D112  D(20,21,22,78)       -178.4672         calculate D2E/DX2 analytically  !
 ! D113  D(25,21,22,17)       -178.9675         calculate D2E/DX2 analytically  !
 ! D114  D(25,21,22,78)          1.5236         calculate D2E/DX2 analytically  !
 ! D115  D(20,21,25,34)       -124.5497         calculate D2E/DX2 analytically  !
 ! D116  D(20,21,25,37)         54.725          calculate D2E/DX2 analytically  !
 ! D117  D(22,21,25,34)         55.4597         calculate D2E/DX2 analytically  !
 ! D118  D(22,21,25,37)       -125.2655         calculate D2E/DX2 analytically  !
 ! D119  D(1,23,30,31)        -179.9735         calculate D2E/DX2 analytically  !
 ! D120  D(1,23,30,50)          -2.3582         calculate D2E/DX2 analytically  !
 ! D121  D(33,23,30,31)         -0.1184         calculate D2E/DX2 analytically  !
 ! D122  D(33,23,30,50)        177.497          calculate D2E/DX2 analytically  !
 ! D123  D(1,23,33,32)        -179.966          calculate D2E/DX2 analytically  !
 ! D124  D(1,23,33,49)          -2.0407         calculate D2E/DX2 analytically  !
 ! D125  D(30,23,33,32)          0.1789         calculate D2E/DX2 analytically  !
 ! D126  D(30,23,33,49)        178.1042         calculate D2E/DX2 analytically  !
 ! D127  D(12,24,26,27)        179.1647         calculate D2E/DX2 analytically  !
 ! D128  D(12,24,26,42)          1.3205         calculate D2E/DX2 analytically  !
 ! D129  D(29,24,26,27)         -0.1254         calculate D2E/DX2 analytically  !
 ! D130  D(29,24,26,42)       -177.9697         calculate D2E/DX2 analytically  !
 ! D131  D(12,24,29,28)       -179.235          calculate D2E/DX2 analytically  !
 ! D132  D(12,24,29,41)          3.2438         calculate D2E/DX2 analytically  !
 ! D133  D(26,24,29,28)          0.0502         calculate D2E/DX2 analytically  !
 ! D134  D(26,24,29,41)       -177.4709         calculate D2E/DX2 analytically  !
 ! D135  D(21,25,34,35)        179.2692         calculate D2E/DX2 analytically  !
 ! D136  D(21,25,34,58)          0.9238         calculate D2E/DX2 analytically  !
 ! D137  D(37,25,34,35)         -0.1107         calculate D2E/DX2 analytically  !
 ! D138  D(37,25,34,58)       -178.4561         calculate D2E/DX2 analytically  !
 ! D139  D(21,25,37,36)       -179.3318         calculate D2E/DX2 analytically  !
 ! D140  D(21,25,37,57)          2.4498         calculate D2E/DX2 analytically  !
 ! D141  D(34,25,37,36)          0.0486         calculate D2E/DX2 analytically  !
 ! D142  D(34,25,37,57)       -178.1699         calculate D2E/DX2 analytically  !
 ! D143  D(24,26,27,28)          0.1495         calculate D2E/DX2 analytically  !
 ! D144  D(24,26,27,45)       -179.2323         calculate D2E/DX2 analytically  !
 ! D145  D(42,26,27,28)        178.1927         calculate D2E/DX2 analytically  !
 ! D146  D(42,26,27,45)         -1.1891         calculate D2E/DX2 analytically  !
 ! D147  D(24,26,42,43)        178.758          calculate D2E/DX2 analytically  !
 ! D148  D(24,26,42,83)         -0.6346         calculate D2E/DX2 analytically  !
 ! D149  D(27,26,42,43)          1.1546         calculate D2E/DX2 analytically  !
 ! D150  D(27,26,42,83)       -178.2381         calculate D2E/DX2 analytically  !
 ! D151  D(26,27,28,29)         -0.1168         calculate D2E/DX2 analytically  !
 ! D152  D(26,27,28,38)        178.9853         calculate D2E/DX2 analytically  !
 ! D153  D(45,27,28,29)        179.1411         calculate D2E/DX2 analytically  !
 ! D154  D(45,27,28,38)         -1.7569         calculate D2E/DX2 analytically  !
 ! D155  D(26,27,45,44)          0.3581         calculate D2E/DX2 analytically  !
 ! D156  D(26,27,45,86)       -179.9893         calculate D2E/DX2 analytically  !
 ! D157  D(28,27,45,44)       -178.826          calculate D2E/DX2 analytically  !
 ! D158  D(28,27,45,86)          0.8266         calculate D2E/DX2 analytically  !
 ! D159  D(27,28,29,24)          0.042          calculate D2E/DX2 analytically  !
 ! D160  D(27,28,29,41)        177.8012         calculate D2E/DX2 analytically  !
 ! D161  D(38,28,29,24)       -179.2093         calculate D2E/DX2 analytically  !
 ! D162  D(38,28,29,41)         -1.4502         calculate D2E/DX2 analytically  !
 ! D163  D(27,28,38,39)       -178.5592         calculate D2E/DX2 analytically  !
 ! D164  D(27,28,38,79)          1.0846         calculate D2E/DX2 analytically  !
 ! D165  D(29,28,38,39)          0.4534         calculate D2E/DX2 analytically  !
 ! D166  D(29,28,38,79)       -179.9028         calculate D2E/DX2 analytically  !
 ! D167  D(24,29,41,40)        178.6201         calculate D2E/DX2 analytically  !
 ! D168  D(24,29,41,82)         -0.5567         calculate D2E/DX2 analytically  !
 ! D169  D(28,29,41,40)          1.3716         calculate D2E/DX2 analytically  !
 ! D170  D(28,29,41,82)       -177.8052         calculate D2E/DX2 analytically  !
 ! D171  D(23,30,31,32)          0.0139         calculate D2E/DX2 analytically  !
 ! D172  D(23,30,31,53)        179.2023         calculate D2E/DX2 analytically  !
 ! D173  D(50,30,31,32)       -177.8292         calculate D2E/DX2 analytically  !
 ! D174  D(50,30,31,53)          1.3593         calculate D2E/DX2 analytically  !
 ! D175  D(23,30,50,51)       -178.6677         calculate D2E/DX2 analytically  !
 ! D176  D(23,30,50,91)          0.6927         calculate D2E/DX2 analytically  !
 ! D177  D(31,30,50,51)         -1.3143         calculate D2E/DX2 analytically  !
 ! D178  D(31,30,50,91)        178.0461         calculate D2E/DX2 analytically  !
 ! D179  D(30,31,32,33)          0.0941         calculate D2E/DX2 analytically  !
 ! D180  D(30,31,32,46)       -179.3223         calculate D2E/DX2 analytically  !
 ! D181  D(53,31,32,33)       -178.934          calculate D2E/DX2 analytically  !
 ! D182  D(53,31,32,46)          1.6496         calculate D2E/DX2 analytically  !
 ! D183  D(30,31,53,52)         -0.4111         calculate D2E/DX2 analytically  !
 ! D184  D(30,31,53,94)        179.9681         calculate D2E/DX2 analytically  !
 ! D185  D(32,31,53,52)        178.5198         calculate D2E/DX2 analytically  !
 ! D186  D(32,31,53,94)         -1.101          calculate D2E/DX2 analytically  !
 ! D187  D(31,32,33,23)         -0.1681         calculate D2E/DX2 analytically  !
 ! D188  D(31,32,33,49)       -178.2967         calculate D2E/DX2 analytically  !
 ! D189  D(46,32,33,23)        179.3445         calculate D2E/DX2 analytically  !
 ! D190  D(46,32,33,49)          1.2159         calculate D2E/DX2 analytically  !
 ! D191  D(31,32,46,47)        179.1041         calculate D2E/DX2 analytically  !
 ! D192  D(31,32,46,87)         -0.7171         calculate D2E/DX2 analytically  !
 ! D193  D(33,32,46,47)         -0.2538         calculate D2E/DX2 analytically  !
 ! D194  D(33,32,46,87)        179.9251         calculate D2E/DX2 analytically  !
 ! D195  D(23,33,49,48)       -179.0203         calculate D2E/DX2 analytically  !
 ! D196  D(23,33,49,90)          0.5847         calculate D2E/DX2 analytically  !
 ! D197  D(32,33,49,48)         -1.3204         calculate D2E/DX2 analytically  !
 ! D198  D(32,33,49,90)        178.2846         calculate D2E/DX2 analytically  !
 ! D199  D(25,34,35,36)          0.1278         calculate D2E/DX2 analytically  !
 ! D200  D(25,34,35,61)       -179.372          calculate D2E/DX2 analytically  !
 ! D201  D(58,34,35,36)        178.6277         calculate D2E/DX2 analytically  !
 ! D202  D(58,34,35,61)         -0.8721         calculate D2E/DX2 analytically  !
 ! D203  D(25,34,58,59)        178.9758         calculate D2E/DX2 analytically  !
 ! D204  D(25,34,58,99)         -0.8165         calculate D2E/DX2 analytically  !
 ! D205  D(35,34,58,59)          0.8139         calculate D2E/DX2 analytically  !
 ! D206  D(35,34,58,99)       -178.9784         calculate D2E/DX2 analytically  !
 ! D207  D(34,35,36,37)         -0.0963         calculate D2E/DX2 analytically  !
 ! D208  D(34,35,36,54)        179.2099         calculate D2E/DX2 analytically  !
 ! D209  D(61,35,36,37)        179.3025         calculate D2E/DX2 analytically  !
 ! D210  D(61,35,36,54)         -1.3913         calculate D2E/DX2 analytically  !
 ! D211  D(34,35,61,60)          0.2952         calculate D2E/DX2 analytically  !
 ! D212  D(34,35,61,102)      -179.9382         calculate D2E/DX2 analytically  !
 ! D213  D(36,35,61,60)       -179.0438         calculate D2E/DX2 analytically  !
 ! D214  D(36,35,61,102)         0.7228         calculate D2E/DX2 analytically  !
 ! D215  D(35,36,37,25)          0.0304         calculate D2E/DX2 analytically  !
 ! D216  D(35,36,37,57)        178.4155         calculate D2E/DX2 analytically  !
 ! D217  D(54,36,37,25)       -179.3926         calculate D2E/DX2 analytically  !
 ! D218  D(54,36,37,57)         -1.0075         calculate D2E/DX2 analytically  !
 ! D219  D(35,36,54,55)       -178.929          calculate D2E/DX2 analytically  !
 ! D220  D(35,36,54,95)          0.7746         calculate D2E/DX2 analytically  !
 ! D221  D(37,36,54,55)          0.3082         calculate D2E/DX2 analytically  !
 ! D222  D(37,36,54,95)       -179.9882         calculate D2E/DX2 analytically  !
 ! D223  D(25,37,57,56)        178.9943         calculate D2E/DX2 analytically  !
 ! D224  D(25,37,57,98)         -0.5205         calculate D2E/DX2 analytically  !
 ! D225  D(36,37,57,56)          0.9727         calculate D2E/DX2 analytically  !
 ! D226  D(36,37,57,98)       -178.5422         calculate D2E/DX2 analytically  !
 ! D227  D(28,38,39,40)          0.5564         calculate D2E/DX2 analytically  !
 ! D228  D(28,38,39,80)       -179.9439         calculate D2E/DX2 analytically  !
 ! D229  D(79,38,39,40)       -179.0868         calculate D2E/DX2 analytically  !
 ! D230  D(79,38,39,80)          0.4129         calculate D2E/DX2 analytically  !
 ! D231  D(38,39,40,41)         -0.6251         calculate D2E/DX2 analytically  !
 ! D232  D(38,39,40,81)        178.8803         calculate D2E/DX2 analytically  !
 ! D233  D(80,39,40,41)        179.874          calculate D2E/DX2 analytically  !
 ! D234  D(80,39,40,81)         -0.6206         calculate D2E/DX2 analytically  !
 ! D235  D(39,40,41,29)         -0.3391         calculate D2E/DX2 analytically  !
 ! D236  D(39,40,41,82)        178.8426         calculate D2E/DX2 analytically  !
 ! D237  D(81,40,41,29)       -179.8467         calculate D2E/DX2 analytically  !
 ! D238  D(81,40,41,82)         -0.6649         calculate D2E/DX2 analytically  !
 ! D239  D(26,42,43,44)         -0.3267         calculate D2E/DX2 analytically  !
 ! D240  D(26,42,43,84)        179.981          calculate D2E/DX2 analytically  !
 ! D241  D(83,42,43,44)        179.0688         calculate D2E/DX2 analytically  !
 ! D242  D(83,42,43,84)         -0.6234         calculate D2E/DX2 analytically  !
 ! D243  D(42,43,44,45)         -0.4735         calculate D2E/DX2 analytically  !
 ! D244  D(42,43,44,85)        179.9353         calculate D2E/DX2 analytically  !
 ! D245  D(84,43,44,45)        179.2174         calculate D2E/DX2 analytically  !
 ! D246  D(84,43,44,85)         -0.3738         calculate D2E/DX2 analytically  !
 ! D247  D(43,44,45,27)          0.4493         calculate D2E/DX2 analytically  !
 ! D248  D(43,44,45,86)       -179.2026         calculate D2E/DX2 analytically  !
 ! D249  D(85,44,45,27)       -179.9605         calculate D2E/DX2 analytically  !
 ! D250  D(85,44,45,86)          0.3875         calculate D2E/DX2 analytically  !
 ! D251  D(32,46,47,48)         -0.5487         calculate D2E/DX2 analytically  !
 ! D252  D(32,46,47,88)        179.6762         calculate D2E/DX2 analytically  !
 ! D253  D(87,46,47,48)        179.2721         calculate D2E/DX2 analytically  !
 ! D254  D(87,46,47,88)         -0.503          calculate D2E/DX2 analytically  !
 ! D255  D(46,47,48,49)          0.43           calculate D2E/DX2 analytically  !
 ! D256  D(46,47,48,89)       -179.729          calculate D2E/DX2 analytically  !
 ! D257  D(88,47,48,49)       -179.7944         calculate D2E/DX2 analytically  !
 ! D258  D(88,47,48,89)          0.0466         calculate D2E/DX2 analytically  !
 ! D259  D(47,48,49,33)          0.5022         calculate D2E/DX2 analytically  !
 ! D260  D(47,48,49,90)       -179.1062         calculate D2E/DX2 analytically  !
 ! D261  D(89,48,49,33)       -179.3399         calculate D2E/DX2 analytically  !
 ! D262  D(89,48,49,90)          1.0517         calculate D2E/DX2 analytically  !
 ! D263  D(30,50,51,52)          0.3635         calculate D2E/DX2 analytically  !
 ! D264  D(30,50,51,92)       -179.9203         calculate D2E/DX2 analytically  !
 ! D265  D(91,50,51,52)       -179.001          calculate D2E/DX2 analytically  !
 ! D266  D(91,50,51,92)          0.7152         calculate D2E/DX2 analytically  !
 ! D267  D(50,51,52,53)          0.5526         calculate D2E/DX2 analytically  !
 ! D268  D(50,51,52,93)       -179.8889         calculate D2E/DX2 analytically  !
 ! D269  D(92,51,52,53)       -179.1623         calculate D2E/DX2 analytically  !
 ! D270  D(92,51,52,93)          0.3962         calculate D2E/DX2 analytically  !
 ! D271  D(51,52,53,31)         -0.519          calculate D2E/DX2 analytically  !
 ! D272  D(51,52,53,94)        179.1011         calculate D2E/DX2 analytically  !
 ! D273  D(93,52,53,31)        179.9237         calculate D2E/DX2 analytically  !
 ! D274  D(93,52,53,94)         -0.4562         calculate D2E/DX2 analytically  !
 ! D275  D(36,54,55,56)          0.3788         calculate D2E/DX2 analytically  !
 ! D276  D(36,54,55,96)       -179.95           calculate D2E/DX2 analytically  !
 ! D277  D(95,54,55,56)       -179.3243         calculate D2E/DX2 analytically  !
 ! D278  D(95,54,55,96)          0.3468         calculate D2E/DX2 analytically  !
 ! D279  D(54,55,56,57)         -0.4059         calculate D2E/DX2 analytically  !
 ! D280  D(54,55,56,97)        179.3477         calculate D2E/DX2 analytically  !
 ! D281  D(96,55,56,57)        179.9221         calculate D2E/DX2 analytically  !
 ! D282  D(96,55,56,97)         -0.3243         calculate D2E/DX2 analytically  !
 ! D283  D(55,56,57,37)         -0.269          calculate D2E/DX2 analytically  !
 ! D284  D(55,56,57,98)        179.2477         calculate D2E/DX2 analytically  !
 ! D285  D(97,56,57,37)        179.9765         calculate D2E/DX2 analytically  !
 ! D286  D(97,56,57,98)         -0.5068         calculate D2E/DX2 analytically  !
 ! D287  D(34,58,59,60)         -0.2049         calculate D2E/DX2 analytically  !
 ! D288  D(34,58,59,100)       179.8804         calculate D2E/DX2 analytically  !
 ! D289  D(99,58,59,60)        179.5881         calculate D2E/DX2 analytically  !
 ! D290  D(99,58,59,100)        -0.3265         calculate D2E/DX2 analytically  !
 ! D291  D(58,59,60,61)         -0.3509         calculate D2E/DX2 analytically  !
 ! D292  D(58,59,60,101)       179.8362         calculate D2E/DX2 analytically  !
 ! D293  D(100,59,60,61)       179.5634         calculate D2E/DX2 analytically  !
 ! D294  D(100,59,60,101)       -0.2495         calculate D2E/DX2 analytically  !
 ! D295  D(59,60,61,35)          0.2989         calculate D2E/DX2 analytically  !
 ! D296  D(59,60,61,102)      -179.4673         calculate D2E/DX2 analytically  !
 ! D297  D(101,60,61,35)      -179.8888         calculate D2E/DX2 analytically  !
 ! D298  D(101,60,61,102)        0.345          calculate D2E/DX2 analytically  !
 ! D299  D(15,63,64,66)        102.2085         calculate D2E/DX2 analytically  !
 ! D300  D(62,63,64,66)        -27.0421         calculate D2E/DX2 analytically  !
 ! D301  D(65,63,64,66)       -155.2914         calculate D2E/DX2 analytically  !
 ! D302  D(15,63,65,68)        177.7752         calculate D2E/DX2 analytically  !
 ! D303  D(62,63,65,68)        -58.0978         calculate D2E/DX2 analytically  !
 ! D304  D(64,63,65,68)         69.5853         calculate D2E/DX2 analytically  !
 ! D305  D(63,64,66,67)       -122.3426         calculate D2E/DX2 analytically  !
 ! D306  D(63,64,66,103)         0.625          calculate D2E/DX2 analytically  !
 ! D307  D(63,64,66,104)       117.3962         calculate D2E/DX2 analytically  !
 ! D308  D(63,65,68,69)         88.1841         calculate D2E/DX2 analytically  !
 ! D309  D(63,65,68,108)      -151.1297         calculate D2E/DX2 analytically  !
 ! D310  D(63,65,68,109)       -35.7436         calculate D2E/DX2 analytically  !
 ! D311  D(64,66,67,105)      -175.2467         calculate D2E/DX2 analytically  !
 ! D312  D(64,66,67,106)       -55.7657         calculate D2E/DX2 analytically  !
 ! D313  D(64,66,67,107)        65.6469         calculate D2E/DX2 analytically  !
 ! D314  D(103,66,67,105)       63.6391         calculate D2E/DX2 analytically  !
 ! D315  D(103,66,67,106)     -176.8799         calculate D2E/DX2 analytically  !
 ! D316  D(103,66,67,107)      -55.4672         calculate D2E/DX2 analytically  !
 ! D317  D(104,66,67,105)      -59.0357         calculate D2E/DX2 analytically  !
 ! D318  D(104,66,67,106)       60.4453         calculate D2E/DX2 analytically  !
 ! D319  D(104,66,67,107)     -178.142          calculate D2E/DX2 analytically  !
 ! D320  D(64,66,103,113)      -61.3713         calculate D2E/DX2 analytically  !
 ! D321  D(67,66,103,113)       59.9916         calculate D2E/DX2 analytically  !
 ! D322  D(104,66,103,113)    -175.7642         calculate D2E/DX2 analytically  !
 ! D323  D(65,68,69,110)       177.316          calculate D2E/DX2 analytically  !
 ! D324  D(65,68,69,111)       -62.7139         calculate D2E/DX2 analytically  !
 ! D325  D(65,68,69,112)        58.147          calculate D2E/DX2 analytically  !
 ! D326  D(108,68,69,110)       60.9501         calculate D2E/DX2 analytically  !
 ! D327  D(108,68,69,111)     -179.0798         calculate D2E/DX2 analytically  !
 ! D328  D(108,68,69,112)      -58.2189         calculate D2E/DX2 analytically  !
 ! D329  D(109,68,69,110)      -60.2702         calculate D2E/DX2 analytically  !
 ! D330  D(109,68,69,111)       59.6999         calculate D2E/DX2 analytically  !
 ! D331  D(109,68,69,112)     -179.4392         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C60H43ClN5O3P
 Framework group  C1[X(C60H43ClN5O3P)]
 Deg. of freedom   333
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.596474    3.245795    0.121107
      2          6           0       -2.754843    1.865167    0.262569
      3          6           0       -1.650395    1.005815    0.215796
      4          6           0       -0.359632    1.559708    0.090266
      5          6           0       -0.208504    2.943546   -0.070183
      6          6           0       -1.312605    3.782954   -0.068901
      7          6           0       -1.783782   -0.463055    0.175828
      8          6           0       -0.652954   -1.285739    0.404034
      9          6           0        0.629179   -0.639294    0.840943
     10          6           0        0.825283    0.690697    0.165172
     11          6           0       -2.987482   -1.054705   -0.225060
     12          6           0       -3.080523   -2.427700   -0.458265
     13          6           0       -1.935988   -3.221568   -0.324744
     14          6           0       -0.743840   -2.649596    0.098830
     15          7           0        1.790095   -1.462024    0.923483
     16          6           0        3.038455   -0.957930    0.448240
     17          6           0        3.079182    0.326732   -0.141036
     18          7           0        1.958238    1.128765   -0.262961
     19          6           0        4.231293   -1.697559    0.489659
     20          6           0        5.417796   -1.170918   -0.005624
     21          6           0        5.457404    0.103681   -0.590044
     22          6           0        4.279274    0.836244   -0.660699
     23          7           0       -3.727887    4.095736    0.160688
     24          7           0       -4.306811   -2.999201   -0.874426
     25          7           0        6.673643    0.628794   -1.096056
     26          6           0       -4.942247   -4.094229   -0.271070
     27          6           0       -6.153411   -4.357755   -0.958366
     28          6           0       -6.253742   -3.383112   -2.025115
     29          6           0       -5.100713   -2.561956   -1.944225
     30          6           0       -3.865387    5.243572    0.955947
     31          6           0       -5.137544    5.819907    0.714238
     32          6           0       -5.798962    4.986578   -0.268249
     33          6           0       -4.905046    3.933265   -0.585680
     34          6           0        7.255898    1.848809   -0.728766
     35          6           0        8.471947    2.010294   -1.440079
     36          6           0        8.629492    0.838002   -2.275580
     37          6           0        7.503945    0.008700   -2.037639
     38          6           0       -7.196920   -3.151148   -3.032623
     39          6           0       -6.978150   -2.121727   -3.943236
     40          6           0       -5.819898   -1.330793   -3.861994
     41          6           0       -4.865588   -1.539707   -2.868125
     42          6           0       -4.556742   -4.837903    0.847360
     43          6           0       -5.395805   -5.872492    1.255659
     44          6           0       -6.591801   -6.158887    0.576053
     45          6           0       -6.977704   -5.403317   -0.526936
     46          6           0       -7.045625    5.049595   -0.900949
     47          6           0       -7.381801    4.075952   -1.836676
     48          6           0       -6.478158    3.048011   -2.152663
     49          6           0       -5.230144    2.964348   -1.539094
     50          6           0       -2.984695    5.785327    1.896195
     51          6           0       -3.386706    6.934195    2.574176
     52          6           0       -4.636087    7.529230    2.332306
     53          6           0       -5.516580    6.974186    1.408767
     54          6           0        9.602069    0.432246   -3.196632
     55          6           0        9.439934   -0.777051   -3.866019
     56          6           0        8.311173   -1.579527   -3.628657
     57          6           0        7.328353   -1.199883   -2.717094
     58          6           0        6.816302    2.799870    0.195824
     59          6           0        7.607304    3.930561    0.387222
     60          6           0        8.808875    4.112956   -0.318188
     61          6           0        9.247015    3.156561   -1.229063
     62          8           0        0.480031   -3.049790    2.732286
     63         15           0        1.779240   -2.787349    2.086047
     64          8           0        3.011255   -2.510979    3.071582
     65          8           0        2.365178   -3.943596    1.132557
     66          6           0        2.818404   -1.949528    4.412751
     67          6           0        3.616969   -0.668449    4.543244
     68          6           0        2.593587   -5.275730    1.686200
     69          6           0        1.349543   -6.139499    1.580012
     70          1           0       -3.749760    1.472287    0.432074
     71          1           0        0.791580    3.342879   -0.192642
     72          1           0       -1.193238    4.851281   -0.209918
     73          1           0       -3.863780   -0.441716   -0.394037
     74          1           0       -1.977373   -4.274547   -0.579170
     75          1           0        0.134861   -3.276616    0.136068
     76          1           0        4.249292   -2.689117    0.912521
     77          1           0        6.328844   -1.755210    0.063717
     78          1           0        4.249321    1.815450   -1.124022
     79          1           0       -8.085481   -3.771630   -3.105165
     80          1           0       -7.703184   -1.931754   -4.728504
     81          1           0       -5.657317   -0.543678   -4.592483
     82          1           0       -3.966166   -0.935724   -2.825566
     83          1           0       -3.643165   -4.614636    1.387011
     84          1           0       -5.118281   -6.465496    2.122033
     85          1           0       -7.222041   -6.973013    0.920256
     86          1           0       -7.908802   -5.617294   -1.043770
     87          1           0       -7.739861    5.851100   -0.665379
     88          1           0       -8.348013    4.111183   -2.330232
     89          1           0       -6.753621    2.298194   -2.888261
     90          1           0       -4.536459    2.174246   -1.802570
     91          1           0       -2.024940    5.325579    2.102550
     92          1           0       -2.718300    7.373820    3.308498
     93          1           0       -4.917681    8.425228    2.876696
     94          1           0       -6.488452    7.426110    1.232465
     95          1           0       10.469724    1.056786   -3.389190
     96          1           0       10.188028   -1.102738   -4.582111
     97          1           0        8.197419   -2.514819   -4.168821
     98          1           0        6.454334   -1.819328   -2.548795
     99          1           0        5.893851    2.664064    0.749298
    100          1           0        7.285836    4.685041    1.099127
    101          1           0        9.400260    5.007107   -0.147135
    102          1           0       10.180347    3.294618   -1.767392
    103          1           0        1.752206   -1.788017    4.580894
    104          1           0        3.173995   -2.720845    5.101687
    105          1           0        3.539124   -0.297278    5.570583
    106          1           0        4.673269   -0.839532    4.317703
    107          1           0        3.226920    0.099752    3.871739
    108          1           0        3.417320   -5.680276    1.093298
    109          1           0        2.935377   -5.180620    2.721643
    110          1           0        1.567368   -7.143677    1.958790
    111          1           0        0.531927   -5.712508    2.164972
    112          1           0        1.030687   -6.229778    0.537642
    113         17           0        0.302328    0.112665    2.776467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0351179           0.0181733           0.0142915
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1273 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1273 symmetry adapted basis functions of A   symmetry.
  1273 basis functions,  2309 primitive gaussians,  1273 cartesian basis functions
   247 alpha electrons      247 beta electrons
       nuclear repulsion energy     10697.9512367025 Hartrees.
 NAtoms=  113 NActive=  113 NUniq=  113 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1273 RedAO= T EigKep=  2.68D-04  NBF=  1273
 NBsUse=  1273 1.00D-06 EigRej= -1.00D+00 NBFU=  1273
 Initial guess from the checkpoint file:  "cd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -3613.48657655     A.U. after    2 cycles
            NFock=  2  Conv=0.60D-08     -V/T= 2.0083
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1273
 NBasis=  1273 NAE=   247 NBE=   247 NFC=     0 NFV=     0
 NROrb=   1273 NOA=   247 NOB=   247 NVA=  1026 NVB=  1026

 **** Warning!!: The largest alpha MO coefficient is  0.10531067D+02

 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do   114 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=1111111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 CalDSu exits because no D1Ps are significant.
          There are   342 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
    339 vectors produced by pass  0 Test12= 2.53D-13 1.00D-09 XBig12= 1.49D+03 1.39D+01.
 AX will form    96 AO Fock derivatives at one time.
    339 vectors produced by pass  1 Test12= 2.53D-13 1.00D-09 XBig12= 2.72D+02 2.55D+00.
    339 vectors produced by pass  2 Test12= 2.53D-13 1.00D-09 XBig12= 2.50D+00 1.67D-01.
    339 vectors produced by pass  3 Test12= 2.53D-13 1.00D-09 XBig12= 1.48D-02 1.05D-02.
    339 vectors produced by pass  4 Test12= 2.53D-13 1.00D-09 XBig12= 2.74D-05 3.55D-04.
    281 vectors produced by pass  5 Test12= 2.53D-13 1.00D-09 XBig12= 3.33D-08 1.02D-05.
     72 vectors produced by pass  6 Test12= 2.53D-13 1.00D-09 XBig12= 3.81D-11 2.82D-07.
      3 vectors produced by pass  7 Test12= 2.53D-13 1.00D-09 XBig12= 4.21D-14 1.14D-08.
      1 vectors produced by pass  8 Test12= 2.53D-13 1.00D-09 XBig12= 1.45D-15 1.24D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension  2052 with   342 vectors.
 Isotropic polarizability for W=    0.000000      816.50 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.49813 -77.25368 -19.19956 -19.19526 -19.12447
 Alpha  occ. eigenvalues --  -14.40732 -14.38803 -14.38611 -14.38488 -14.35195
 Alpha  occ. eigenvalues --  -10.31668 -10.26987 -10.26353 -10.26119 -10.25606
 Alpha  occ. eigenvalues --  -10.24972 -10.24786 -10.24465 -10.24146 -10.22857
 Alpha  occ. eigenvalues --  -10.22729 -10.22596 -10.22589 -10.22542 -10.22538
 Alpha  occ. eigenvalues --  -10.22386 -10.22338 -10.22006 -10.21257 -10.21089
 Alpha  occ. eigenvalues --  -10.21080 -10.20928 -10.20751 -10.20632 -10.20623
 Alpha  occ. eigenvalues --  -10.20543 -10.20481 -10.20414 -10.19661 -10.19254
 Alpha  occ. eigenvalues --  -10.19159 -10.19106 -10.19102 -10.19064 -10.19007
 Alpha  occ. eigenvalues --  -10.19005 -10.19002 -10.18950 -10.18946 -10.18903
 Alpha  occ. eigenvalues --  -10.18902 -10.18895 -10.18888 -10.18885 -10.18883
 Alpha  occ. eigenvalues --  -10.18861 -10.18849 -10.18838 -10.18834 -10.18804
 Alpha  occ. eigenvalues --  -10.18783 -10.18756 -10.18723 -10.18628 -10.18487
 Alpha  occ. eigenvalues --  -10.18357 -10.18274 -10.18200 -10.18195 -10.18172
 Alpha  occ. eigenvalues --   -9.41355  -7.17624  -7.16860  -7.16829  -6.69990
 Alpha  occ. eigenvalues --   -4.86358  -4.86351  -4.86198  -1.09872  -1.04813
 Alpha  occ. eigenvalues --   -1.00322  -0.99464  -0.99203  -0.99183  -0.97905
 Alpha  occ. eigenvalues --   -0.94070  -0.90076  -0.87588  -0.87371  -0.85551
 Alpha  occ. eigenvalues --   -0.84563  -0.84379  -0.84333  -0.84293  -0.84194
 Alpha  occ. eigenvalues --   -0.81605  -0.79686  -0.79144  -0.78773  -0.78405
 Alpha  occ. eigenvalues --   -0.77880  -0.77143  -0.76970  -0.76098  -0.75685
 Alpha  occ. eigenvalues --   -0.75324  -0.75270  -0.74954  -0.74790  -0.74056
 Alpha  occ. eigenvalues --   -0.73157  -0.72136  -0.71739  -0.71685  -0.71549
 Alpha  occ. eigenvalues --   -0.71490  -0.70103  -0.67566  -0.66909  -0.65559
 Alpha  occ. eigenvalues --   -0.64804  -0.64598  -0.64338  -0.63607  -0.62967
 Alpha  occ. eigenvalues --   -0.62235  -0.61835  -0.61235  -0.60378  -0.60287
 Alpha  occ. eigenvalues --   -0.59688  -0.59490  -0.59097  -0.58328  -0.57603
 Alpha  occ. eigenvalues --   -0.57441  -0.57377  -0.56913  -0.56335  -0.55304
 Alpha  occ. eigenvalues --   -0.54771  -0.54036  -0.53414  -0.52225  -0.52160
 Alpha  occ. eigenvalues --   -0.51908  -0.51546  -0.51479  -0.51270  -0.50408
 Alpha  occ. eigenvalues --   -0.50167  -0.50049  -0.49704  -0.49033  -0.48624
 Alpha  occ. eigenvalues --   -0.47833  -0.47611  -0.47437  -0.46565  -0.46336
 Alpha  occ. eigenvalues --   -0.45871  -0.45688  -0.45568  -0.45397  -0.45282
 Alpha  occ. eigenvalues --   -0.45236  -0.44910  -0.44488  -0.44144  -0.43966
 Alpha  occ. eigenvalues --   -0.43852  -0.43788  -0.43777  -0.43594  -0.43448
 Alpha  occ. eigenvalues --   -0.43247  -0.43095  -0.42540  -0.42322  -0.42170
 Alpha  occ. eigenvalues --   -0.42091  -0.42060  -0.41968  -0.41940  -0.41752
 Alpha  occ. eigenvalues --   -0.41539  -0.41368  -0.41240  -0.40898  -0.40632
 Alpha  occ. eigenvalues --   -0.40321  -0.40049  -0.39226  -0.39039  -0.38968
 Alpha  occ. eigenvalues --   -0.38574  -0.38130  -0.37602  -0.36971  -0.36775
 Alpha  occ. eigenvalues --   -0.36564  -0.36512  -0.36397  -0.36354  -0.36141
 Alpha  occ. eigenvalues --   -0.36105  -0.35957  -0.35802  -0.35357  -0.35209
 Alpha  occ. eigenvalues --   -0.35131  -0.35067  -0.34166  -0.34043  -0.33892
 Alpha  occ. eigenvalues --   -0.33854  -0.33680  -0.33604  -0.33487  -0.33418
 Alpha  occ. eigenvalues --   -0.32954  -0.32637  -0.32583  -0.31417  -0.31139
 Alpha  occ. eigenvalues --   -0.30525  -0.29601  -0.28643  -0.28331  -0.28034
 Alpha  occ. eigenvalues --   -0.27888  -0.27786  -0.27548  -0.26242  -0.25999
 Alpha  occ. eigenvalues --   -0.25408  -0.25325  -0.25133  -0.25087  -0.23954
 Alpha  occ. eigenvalues --   -0.22925  -0.21509  -0.21317  -0.21260  -0.20185
 Alpha  occ. eigenvalues --   -0.19919  -0.19739
 Alpha virt. eigenvalues --   -0.09576  -0.05195  -0.04486  -0.02947  -0.02756
 Alpha virt. eigenvalues --   -0.02690  -0.02085  -0.01350  -0.00416   0.00393
 Alpha virt. eigenvalues --    0.00594   0.00628   0.01348   0.02620   0.03131
 Alpha virt. eigenvalues --    0.03516   0.04042   0.04265   0.04327   0.04663
 Alpha virt. eigenvalues --    0.05871   0.06862   0.07574   0.08160   0.09135
 Alpha virt. eigenvalues --    0.09603   0.10045   0.10066   0.10288   0.10549
 Alpha virt. eigenvalues --    0.10600   0.10804   0.11135   0.11212   0.11710
 Alpha virt. eigenvalues --    0.12326   0.12548   0.12715   0.12987   0.13191
 Alpha virt. eigenvalues --    0.13584   0.13684   0.14263   0.14726   0.14862
 Alpha virt. eigenvalues --    0.14970   0.15192   0.15424   0.15601   0.15685
 Alpha virt. eigenvalues --    0.15788   0.15935   0.15984   0.16097   0.16315
 Alpha virt. eigenvalues --    0.16525   0.16570   0.16908   0.16996   0.17253
 Alpha virt. eigenvalues --    0.17413   0.17661   0.17878   0.18128   0.18286
 Alpha virt. eigenvalues --    0.18490   0.18562   0.18871   0.19146   0.19366
 Alpha virt. eigenvalues --    0.19439   0.19694   0.19759   0.19765   0.19896
 Alpha virt. eigenvalues --    0.20154   0.20508   0.20621   0.20705   0.20815
 Alpha virt. eigenvalues --    0.20982   0.21344   0.21657   0.22053   0.23073
 Alpha virt. eigenvalues --    0.23377   0.23639   0.24291   0.24646   0.25218
 Alpha virt. eigenvalues --    0.25410   0.25542   0.25602   0.26058   0.26114
 Alpha virt. eigenvalues --    0.26282   0.26476   0.26549   0.26919   0.27295
 Alpha virt. eigenvalues --    0.28002   0.28115   0.28641   0.28750   0.29483
 Alpha virt. eigenvalues --    0.29696   0.30087   0.30683   0.31220   0.31447
 Alpha virt. eigenvalues --    0.31744   0.32026   0.32529   0.33029   0.34163
 Alpha virt. eigenvalues --    0.34279   0.34583   0.35085   0.35395   0.35767
 Alpha virt. eigenvalues --    0.35885   0.36259   0.36677   0.37055   0.37870
 Alpha virt. eigenvalues --    0.38311   0.38596   0.38761   0.38840   0.39014
 Alpha virt. eigenvalues --    0.39188   0.39652   0.41058   0.41204   0.41748
 Alpha virt. eigenvalues --    0.41992   0.42413   0.43690   0.44261   0.44654
 Alpha virt. eigenvalues --    0.44939   0.45483   0.45671   0.46136   0.46199
 Alpha virt. eigenvalues --    0.46395   0.48021   0.48466   0.48663   0.48953
 Alpha virt. eigenvalues --    0.49281   0.49470   0.49786   0.50042   0.50800
 Alpha virt. eigenvalues --    0.51081   0.51319   0.51365   0.51482   0.51754
 Alpha virt. eigenvalues --    0.51921   0.52098   0.52411   0.52599   0.52790
 Alpha virt. eigenvalues --    0.53072   0.53159   0.53339   0.53420   0.53422
 Alpha virt. eigenvalues --    0.53505   0.53628   0.53840   0.53922   0.54268
 Alpha virt. eigenvalues --    0.54349   0.54492   0.54548   0.54845   0.54903
 Alpha virt. eigenvalues --    0.55249   0.55375   0.55496   0.55651   0.55866
 Alpha virt. eigenvalues --    0.56031   0.56369   0.56449   0.56744   0.56844
 Alpha virt. eigenvalues --    0.57115   0.57262   0.57512   0.57589   0.57590
 Alpha virt. eigenvalues --    0.57766   0.57848   0.58039   0.58185   0.58454
 Alpha virt. eigenvalues --    0.58606   0.58776   0.58917   0.59046   0.59193
 Alpha virt. eigenvalues --    0.59273   0.59477   0.59545   0.59718   0.60021
 Alpha virt. eigenvalues --    0.60124   0.60293   0.60387   0.60526   0.60759
 Alpha virt. eigenvalues --    0.60859   0.60861   0.61298   0.61337   0.61476
 Alpha virt. eigenvalues --    0.61527   0.61561   0.61657   0.61688   0.61788
 Alpha virt. eigenvalues --    0.61957   0.62044   0.62126   0.62240   0.62292
 Alpha virt. eigenvalues --    0.62530   0.62577   0.62912   0.63015   0.63558
 Alpha virt. eigenvalues --    0.63628   0.63785   0.63838   0.63985   0.64093
 Alpha virt. eigenvalues --    0.64248   0.64398   0.64454   0.64559   0.64721
 Alpha virt. eigenvalues --    0.64825   0.65056   0.65356   0.65983   0.66108
 Alpha virt. eigenvalues --    0.66223   0.67289   0.68137   0.68553   0.68847
 Alpha virt. eigenvalues --    0.69346   0.69896   0.70226   0.70571   0.70779
 Alpha virt. eigenvalues --    0.71253   0.71556   0.71626   0.72647   0.73293
 Alpha virt. eigenvalues --    0.73924   0.73966   0.74307   0.74580   0.74815
 Alpha virt. eigenvalues --    0.76383   0.76616   0.77231   0.77726   0.77855
 Alpha virt. eigenvalues --    0.78073   0.78108   0.78583   0.78692   0.78965
 Alpha virt. eigenvalues --    0.79294   0.79380   0.79556   0.79581   0.79789
 Alpha virt. eigenvalues --    0.80019   0.80446   0.80732   0.80982   0.81444
 Alpha virt. eigenvalues --    0.81652   0.81715   0.81899   0.82053   0.82133
 Alpha virt. eigenvalues --    0.82351   0.82584   0.82618   0.82990   0.83211
 Alpha virt. eigenvalues --    0.83504   0.83579   0.83698   0.83937   0.84016
 Alpha virt. eigenvalues --    0.84263   0.84430   0.84659   0.84791   0.84809
 Alpha virt. eigenvalues --    0.85538   0.85715   0.85950   0.86337   0.86644
 Alpha virt. eigenvalues --    0.86760   0.86906   0.87108   0.87260   0.87789
 Alpha virt. eigenvalues --    0.88006   0.88162   0.88370   0.88559   0.88807
 Alpha virt. eigenvalues --    0.88997   0.89156   0.89679   0.89883   0.90009
 Alpha virt. eigenvalues --    0.90198   0.90513   0.90573   0.90717   0.91272
 Alpha virt. eigenvalues --    0.91515   0.91625   0.92049   0.92425   0.92689
 Alpha virt. eigenvalues --    0.92853   0.93499   0.93829   0.94558   0.94715
 Alpha virt. eigenvalues --    0.95045   0.95381   0.95483   0.96039   0.96357
 Alpha virt. eigenvalues --    0.96713   0.97166   0.97380   0.98023   0.98209
 Alpha virt. eigenvalues --    0.98357   0.98634   0.98670   0.98897   0.99006
 Alpha virt. eigenvalues --    0.99215   0.99370   0.99454   0.99714   0.99790
 Alpha virt. eigenvalues --    1.00341   1.00567   1.00654   1.00720   1.01093
 Alpha virt. eigenvalues --    1.01581   1.02035   1.02756   1.03237   1.03778
 Alpha virt. eigenvalues --    1.03961   1.04496   1.05199   1.05503   1.06403
 Alpha virt. eigenvalues --    1.06486   1.06620   1.06773   1.07057   1.07725
 Alpha virt. eigenvalues --    1.08389   1.08461   1.08895   1.10318   1.10969
 Alpha virt. eigenvalues --    1.11358   1.11436   1.11736   1.12077   1.12255
 Alpha virt. eigenvalues --    1.12491   1.12593   1.13246   1.13907   1.14418
 Alpha virt. eigenvalues --    1.14511   1.14627   1.14700   1.14868   1.15244
 Alpha virt. eigenvalues --    1.15647   1.15864   1.16627   1.17077   1.18126
 Alpha virt. eigenvalues --    1.18564   1.18644   1.18896   1.19017   1.19395
 Alpha virt. eigenvalues --    1.20021   1.20535   1.20692   1.20810   1.20860
 Alpha virt. eigenvalues --    1.21098   1.21550   1.22133   1.22663   1.23128
 Alpha virt. eigenvalues --    1.23762   1.24244   1.24782   1.25253   1.25437
 Alpha virt. eigenvalues --    1.26150   1.26297   1.27009   1.27615   1.27640
 Alpha virt. eigenvalues --    1.27826   1.28368   1.29117   1.29765   1.30513
 Alpha virt. eigenvalues --    1.30586   1.30692   1.31255   1.32118   1.32194
 Alpha virt. eigenvalues --    1.32730   1.32997   1.33175   1.33354   1.34224
 Alpha virt. eigenvalues --    1.34918   1.35605   1.35844   1.36462   1.36694
 Alpha virt. eigenvalues --    1.36824   1.36867   1.36966   1.37039   1.37154
 Alpha virt. eigenvalues --    1.37343   1.37812   1.38198   1.38302   1.38488
 Alpha virt. eigenvalues --    1.38675   1.39008   1.39304   1.39457   1.39744
 Alpha virt. eigenvalues --    1.39901   1.40195   1.40529   1.40694   1.41232
 Alpha virt. eigenvalues --    1.41267   1.41294   1.41403   1.41534   1.41565
 Alpha virt. eigenvalues --    1.41609   1.41713   1.41866   1.42214   1.42717
 Alpha virt. eigenvalues --    1.42997   1.43105   1.43328   1.43772   1.44120
 Alpha virt. eigenvalues --    1.44541   1.45096   1.46015   1.46400   1.46535
 Alpha virt. eigenvalues --    1.46757   1.47589   1.48121   1.50095   1.50566
 Alpha virt. eigenvalues --    1.51092   1.52624   1.53210   1.54829   1.56103
 Alpha virt. eigenvalues --    1.57248   1.57839   1.58658   1.58875   1.59438
 Alpha virt. eigenvalues --    1.60326   1.60576   1.60767   1.61090   1.61288
 Alpha virt. eigenvalues --    1.61368   1.62438   1.62940   1.63548   1.64202
 Alpha virt. eigenvalues --    1.65829   1.66564   1.67182   1.67894   1.68240
 Alpha virt. eigenvalues --    1.69073   1.69653   1.69874   1.70635   1.70887
 Alpha virt. eigenvalues --    1.71494   1.72076   1.72739   1.73022   1.73244
 Alpha virt. eigenvalues --    1.73470   1.73736   1.74483   1.74917   1.75476
 Alpha virt. eigenvalues --    1.75612   1.75807   1.75852   1.76014   1.76154
 Alpha virt. eigenvalues --    1.76176   1.76968   1.77477   1.77555   1.77867
 Alpha virt. eigenvalues --    1.78353   1.78752   1.79124   1.79352   1.79565
 Alpha virt. eigenvalues --    1.80078   1.80393   1.80965   1.81148   1.81716
 Alpha virt. eigenvalues --    1.82104   1.82471   1.82992   1.83103   1.83146
 Alpha virt. eigenvalues --    1.83654   1.84083   1.84152   1.84474   1.85003
 Alpha virt. eigenvalues --    1.85487   1.85725   1.86178   1.86617   1.87124
 Alpha virt. eigenvalues --    1.87755   1.88143   1.88360   1.88506   1.88608
 Alpha virt. eigenvalues --    1.88803   1.88899   1.89217   1.89429   1.89553
 Alpha virt. eigenvalues --    1.89844   1.90167   1.90266   1.90536   1.90937
 Alpha virt. eigenvalues --    1.91252   1.91447   1.91719   1.91918   1.91964
 Alpha virt. eigenvalues --    1.92163   1.92254   1.92468   1.92705   1.92856
 Alpha virt. eigenvalues --    1.93329   1.93680   1.94322   1.94351   1.94655
 Alpha virt. eigenvalues --    1.94764   1.94776   1.95300   1.95825   1.96356
 Alpha virt. eigenvalues --    1.96664   1.96787   1.96947   1.97424   1.97624
 Alpha virt. eigenvalues --    1.97708   1.98104   1.98293   1.98826   1.99188
 Alpha virt. eigenvalues --    1.99381   1.99504   1.99624   2.00061   2.00115
 Alpha virt. eigenvalues --    2.00165   2.00304   2.00541   2.00988   2.01256
 Alpha virt. eigenvalues --    2.01512   2.01888   2.02609   2.03038   2.03289
 Alpha virt. eigenvalues --    2.03318   2.03439   2.03733   2.03920   2.04419
 Alpha virt. eigenvalues --    2.04979   2.05175   2.05216   2.05322   2.05618
 Alpha virt. eigenvalues --    2.05896   2.06769   2.07138   2.07483   2.08180
 Alpha virt. eigenvalues --    2.08250   2.08339   2.08709   2.10184   2.11150
 Alpha virt. eigenvalues --    2.11436   2.11751   2.12095   2.12177   2.12374
 Alpha virt. eigenvalues --    2.13479   2.14706   2.15138   2.15808   2.16148
 Alpha virt. eigenvalues --    2.16698   2.17131   2.17593   2.18005   2.18423
 Alpha virt. eigenvalues --    2.18597   2.18801   2.19879   2.19952   2.20111
 Alpha virt. eigenvalues --    2.20460   2.20567   2.20760   2.21689   2.22001
 Alpha virt. eigenvalues --    2.22240   2.22768   2.23241   2.23447   2.24393
 Alpha virt. eigenvalues --    2.24631   2.25067   2.25425   2.25537   2.25748
 Alpha virt. eigenvalues --    2.26118   2.26585   2.28135   2.28737   2.28932
 Alpha virt. eigenvalues --    2.29083   2.29222   2.29746   2.30033   2.30554
 Alpha virt. eigenvalues --    2.30817   2.31104   2.31307   2.31700   2.32075
 Alpha virt. eigenvalues --    2.32525   2.32744   2.33028   2.33572   2.33685
 Alpha virt. eigenvalues --    2.34454   2.34648   2.34763   2.34914   2.35516
 Alpha virt. eigenvalues --    2.35870   2.36468   2.37209   2.37292   2.37344
 Alpha virt. eigenvalues --    2.37628   2.37761   2.37912   2.38158   2.38331
 Alpha virt. eigenvalues --    2.38639   2.38744   2.38951   2.39093   2.39395
 Alpha virt. eigenvalues --    2.39629   2.39869   2.40005   2.40105   2.40325
 Alpha virt. eigenvalues --    2.40504   2.41230   2.41992   2.42576   2.42786
 Alpha virt. eigenvalues --    2.43189   2.43592   2.43976   2.44143   2.44226
 Alpha virt. eigenvalues --    2.44285   2.44390   2.44614   2.44641   2.44816
 Alpha virt. eigenvalues --    2.45574   2.45666   2.46572   2.46889   2.47296
 Alpha virt. eigenvalues --    2.47427   2.47615   2.47963   2.48004   2.48127
 Alpha virt. eigenvalues --    2.48678   2.49006   2.49787   2.50309   2.50551
 Alpha virt. eigenvalues --    2.51156   2.51566   2.52258   2.52307   2.52524
 Alpha virt. eigenvalues --    2.52568   2.52792   2.52942   2.53295   2.53542
 Alpha virt. eigenvalues --    2.53722   2.54246   2.54626   2.55000   2.55093
 Alpha virt. eigenvalues --    2.55474   2.55776   2.56073   2.56626   2.56977
 Alpha virt. eigenvalues --    2.57275   2.57340   2.57619   2.57805   2.57953
 Alpha virt. eigenvalues --    2.58014   2.58249   2.58642   2.59649   2.59893
 Alpha virt. eigenvalues --    2.60122   2.60220   2.60674   2.60824   2.61389
 Alpha virt. eigenvalues --    2.62036   2.62187   2.62364   2.62693   2.62905
 Alpha virt. eigenvalues --    2.63744   2.64276   2.65013   2.65655   2.66026
 Alpha virt. eigenvalues --    2.66327   2.66574   2.66821   2.67226   2.67674
 Alpha virt. eigenvalues --    2.68140   2.69128   2.69280   2.69455   2.69515
 Alpha virt. eigenvalues --    2.69792   2.70419   2.70762   2.71041   2.71285
 Alpha virt. eigenvalues --    2.71997   2.72431   2.72820   2.73464   2.74151
 Alpha virt. eigenvalues --    2.74392   2.74445   2.74653   2.74751   2.74979
 Alpha virt. eigenvalues --    2.75035   2.75823   2.76211   2.77428   2.77556
 Alpha virt. eigenvalues --    2.77626   2.77813   2.78195   2.79504   2.80001
 Alpha virt. eigenvalues --    2.80146   2.80420   2.81343   2.81846   2.82487
 Alpha virt. eigenvalues --    2.83666   2.83836   2.83971   2.84310   2.84513
 Alpha virt. eigenvalues --    2.84974   2.85237   2.86039   2.87033   2.87183
 Alpha virt. eigenvalues --    2.87925   2.88063   2.89889   2.90388   2.90442
 Alpha virt. eigenvalues --    2.90821   2.91293   2.91846   2.92088   2.92390
 Alpha virt. eigenvalues --    2.92543   2.92710   2.93224   2.93528   2.95244
 Alpha virt. eigenvalues --    2.95988   2.96535   2.96970   2.98641   2.99222
 Alpha virt. eigenvalues --    3.00352   3.01945   3.04348   3.07737   3.09708
 Alpha virt. eigenvalues --    3.10302   3.11141   3.13322   3.13586   3.13773
 Alpha virt. eigenvalues --    3.14664   3.17315   3.18466   3.18637   3.18787
 Alpha virt. eigenvalues --    3.19635   3.19814   3.20254   3.21990   3.22045
 Alpha virt. eigenvalues --    3.22463   3.23622   3.24153   3.24230   3.24586
 Alpha virt. eigenvalues --    3.24761   3.24831   3.25022   3.25094   3.25503
 Alpha virt. eigenvalues --    3.26561   3.26957   3.27071   3.28362   3.28707
 Alpha virt. eigenvalues --    3.30337   3.30974   3.31102   3.31515   3.31912
 Alpha virt. eigenvalues --    3.32431   3.36584   3.36711   3.36831   3.37090
 Alpha virt. eigenvalues --    3.37222   3.37464   3.37653   3.38998   3.39968
 Alpha virt. eigenvalues --    3.41388   3.43701   3.44547   3.45251   3.45451
 Alpha virt. eigenvalues --    3.45940   3.46126   3.46709   3.46869   3.47010
 Alpha virt. eigenvalues --    3.47079   3.48452   3.50124   3.50797   3.50917
 Alpha virt. eigenvalues --    3.51165   3.51911   3.56115   3.73044   3.75854
 Alpha virt. eigenvalues --    3.79627   3.81789   3.81978   3.82212   3.89763
 Alpha virt. eigenvalues --    3.89907   3.90086   4.00468   4.07380   4.10818
 Alpha virt. eigenvalues --    4.10962   4.11065   4.11640   4.13193   4.13731
 Alpha virt. eigenvalues --    4.13868   4.13995   4.14156   4.14201   4.14487
 Alpha virt. eigenvalues --    4.14824   4.15742   4.16546   4.17992   4.18286
 Alpha virt. eigenvalues --    4.18399   4.18573   4.18604   4.18937   4.19456
 Alpha virt. eigenvalues --    4.20812   4.20969   4.21035   4.21284   4.22578
 Alpha virt. eigenvalues --    4.24752   4.26352   4.28214   4.31886   4.33834
 Alpha virt. eigenvalues --    4.36288   4.37188   4.37374   4.37441   4.38563
 Alpha virt. eigenvalues --    4.41445   4.42118   4.43033   4.43834   4.44238
 Alpha virt. eigenvalues --    4.44559   4.44853   4.46123   4.48417   4.48812
 Alpha virt. eigenvalues --    4.52098   4.52438   4.52751   4.52784   4.52892
 Alpha virt. eigenvalues --    4.53379   4.53624   4.53675   4.58883   4.60188
 Alpha virt. eigenvalues --    4.61247   4.70535   4.78295   4.81719   4.82833
 Alpha virt. eigenvalues --    4.84700   4.88006   4.93002   4.93169   4.93299
 Alpha virt. eigenvalues --    4.94561
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.262397
     2  C   -0.159857
     3  C    0.062250
     4  C    0.070181
     5  C   -0.113348
     6  C   -0.104045
     7  C    0.059251
     8  C    0.144307
     9  C    0.002842
    10  C    0.302441
    11  C   -0.142067
    12  C    0.257363
    13  C   -0.109222
    14  C   -0.100795
    15  N   -0.728053
    16  C    0.342210
    17  C    0.236431
    18  N   -0.567816
    19  C   -0.123638
    20  C   -0.109074
    21  C    0.246286
    22  C   -0.127361
    23  N   -0.741130
    24  N   -0.740293
    25  N   -0.737943
    26  C    0.291643
    27  C    0.041990
    28  C    0.040446
    29  C    0.295060
    30  C    0.293492
    31  C    0.040588
    32  C    0.041147
    33  C    0.295050
    34  C    0.293903
    35  C    0.040928
    36  C    0.040434
    37  C    0.293744
    38  C   -0.132374
    39  C   -0.099629
    40  C   -0.101420
    41  C   -0.112970
    42  C   -0.113175
    43  C   -0.099076
    44  C   -0.099362
    45  C   -0.133107
    46  C   -0.132678
    47  C   -0.099543
    48  C   -0.099087
    49  C   -0.113034
    50  C   -0.109904
    51  C   -0.098733
    52  C   -0.099448
    53  C   -0.132849
    54  C   -0.133262
    55  C   -0.100474
    56  C   -0.098587
    57  C   -0.111590
    58  C   -0.110649
    59  C   -0.098696
    60  C   -0.100281
    61  C   -0.133374
    62  O   -0.565343
    63  P    1.425584
    64  O   -0.574437
    65  O   -0.595711
    66  C    0.027352
    67  C   -0.330726
    68  C    0.024962
    69  C   -0.338897
    70  H    0.122204
    71  H    0.120408
    72  H    0.112721
    73  H    0.113246
    74  H    0.109574
    75  H    0.114405
    76  H    0.124283
    77  H    0.111758
    78  H    0.122400
    79  H    0.087055
    80  H    0.082077
    81  H    0.085229
    82  H    0.095135
    83  H    0.105156
    84  H    0.085126
    85  H    0.081397
    86  H    0.086163
    87  H    0.086123
    88  H    0.081585
    89  H    0.087398
    90  H    0.091683
    91  H    0.098682
    92  H    0.084736
    93  H    0.081210
    94  H    0.085892
    95  H    0.085672
    96  H    0.080377
    97  H    0.082288
    98  H    0.091021
    99  H    0.094499
   100  H    0.083823
   101  H    0.080534
   102  H    0.085263
   103  H    0.160125
   104  H    0.115610
   105  H    0.113941
   106  H    0.118827
   107  H    0.143005
   108  H    0.124240
   109  H    0.127004
   110  H    0.113826
   111  H    0.155240
   112  H    0.122888
   113  Cl  -0.233055
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.262397
     2  C   -0.037653
     3  C    0.062250
     4  C    0.070181
     5  C    0.007060
     6  C    0.008675
     7  C    0.059251
     8  C    0.144307
     9  C    0.002842
    10  C    0.302441
    11  C   -0.028821
    12  C    0.257363
    13  C    0.000352
    14  C    0.013609
    15  N   -0.728053
    16  C    0.342210
    17  C    0.236431
    18  N   -0.567816
    19  C    0.000644
    20  C    0.002683
    21  C    0.246286
    22  C   -0.004961
    23  N   -0.741130
    24  N   -0.740293
    25  N   -0.737943
    26  C    0.291643
    27  C    0.041990
    28  C    0.040446
    29  C    0.295060
    30  C    0.293492
    31  C    0.040588
    32  C    0.041147
    33  C    0.295050
    34  C    0.293903
    35  C    0.040928
    36  C    0.040434
    37  C    0.293744
    38  C   -0.045318
    39  C   -0.017552
    40  C   -0.016191
    41  C   -0.017835
    42  C   -0.008019
    43  C   -0.013950
    44  C   -0.017965
    45  C   -0.046943
    46  C   -0.046556
    47  C   -0.017958
    48  C   -0.011689
    49  C   -0.021351
    50  C   -0.011222
    51  C   -0.013997
    52  C   -0.018237
    53  C   -0.046957
    54  C   -0.047590
    55  C   -0.020097
    56  C   -0.016298
    57  C   -0.020569
    58  C   -0.016150
    59  C   -0.014873
    60  C   -0.019747
    61  C   -0.048110
    62  O   -0.565343
    63  P    1.425584
    64  O   -0.574437
    65  O   -0.595711
    66  C    0.303087
    67  C    0.045047
    68  C    0.276206
    69  C    0.053057
   113  Cl  -0.233055
 APT charges:
               1
     1  C    0.720899
     2  C   -0.275941
     3  C    0.203487
     4  C   -0.269830
     5  C    0.055784
     6  C   -0.193308
     7  C    0.252892
     8  C   -0.334198
     9  C    1.110263
    10  C    0.464240
    11  C   -0.312444
    12  C    0.736928
    13  C   -0.214528
    14  C    0.093439
    15  N   -1.059866
    16  C    0.202934
    17  C    0.102457
    18  N   -0.331830
    19  C   -0.025430
    20  C   -0.159600
    21  C    0.561929
    22  C   -0.038880
    23  N   -1.039249
    24  N   -1.008500
    25  N   -0.975622
    26  C    0.394147
    27  C   -0.076278
    28  C   -0.067103
    29  C    0.312569
    30  C    0.397494
    31  C   -0.080243
    32  C   -0.077642
    33  C    0.325745
    34  C    0.316629
    35  C   -0.090521
    36  C   -0.081588
    37  C    0.401044
    38  C    0.060645
    39  C   -0.148053
    40  C    0.026698
    41  C   -0.066561
    42  C   -0.077643
    43  C    0.045780
    44  C   -0.145330
    45  C    0.060858
    46  C    0.058101
    47  C   -0.147130
    48  C    0.036221
    49  C   -0.056241
    50  C   -0.077615
    51  C    0.047049
    52  C   -0.146912
    53  C    0.059792
    54  C    0.063613
    55  C   -0.153187
    56  C    0.048526
    57  C   -0.073991
    58  C   -0.051958
    59  C    0.039788
    60  C   -0.150448
    61  C    0.064863
    62  O   -0.795155
    63  P    2.347020
    64  O   -1.025195
    65  O   -1.098794
    66  C    0.545065
    67  C    0.011809
    68  C    0.651066
    69  C   -0.020114
    70  H    0.057578
    71  H    0.059957
    72  H    0.045723
    73  H    0.062756
    74  H    0.045846
    75  H    0.050511
    76  H    0.068205
    77  H    0.045691
    78  H    0.078935
    79  H    0.017095
    80  H    0.007211
    81  H    0.018342
    82  H    0.033341
    83  H    0.047195
    84  H    0.013169
    85  H    0.001535
    86  H    0.017644
    87  H    0.015709
    88  H    0.004619
    89  H    0.024386
    90  H    0.029563
    91  H    0.043949
    92  H    0.013462
    93  H    0.001801
    94  H    0.016833
    95  H    0.015727
    96  H    0.000190
    97  H    0.011117
    98  H    0.036061
    99  H    0.032057
   100  H    0.015699
   101  H    0.002437
   102  H    0.015399
   103  H    0.021764
   104  H   -0.054813
   105  H   -0.009113
   106  H   -0.000776
   107  H    0.012496
   108  H   -0.045016
   109  H   -0.038240
   110  H   -0.016049
   111  H    0.040882
   112  H    0.004388
   113  Cl  -0.738111
 Sum of APT charges =  -0.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.720899
     2  C   -0.218362
     3  C    0.203487
     4  C   -0.269830
     5  C    0.115741
     6  C   -0.147585
     7  C    0.252892
     8  C   -0.334198
     9  C    1.110263
    10  C    0.464240
    11  C   -0.249687
    12  C    0.736928
    13  C   -0.168682
    14  C    0.143950
    15  N   -1.059866
    16  C    0.202934
    17  C    0.102457
    18  N   -0.331830
    19  C    0.042775
    20  C   -0.113909
    21  C    0.561929
    22  C    0.040055
    23  N   -1.039249
    24  N   -1.008500
    25  N   -0.975622
    26  C    0.394147
    27  C   -0.076278
    28  C   -0.067103
    29  C    0.312569
    30  C    0.397494
    31  C   -0.080243
    32  C   -0.077642
    33  C    0.325745
    34  C    0.316629
    35  C   -0.090521
    36  C   -0.081588
    37  C    0.401044
    38  C    0.077740
    39  C   -0.140841
    40  C    0.045040
    41  C   -0.033221
    42  C   -0.030447
    43  C    0.058949
    44  C   -0.143795
    45  C    0.078502
    46  C    0.073810
    47  C   -0.142511
    48  C    0.060607
    49  C   -0.026678
    50  C   -0.033667
    51  C    0.060511
    52  C   -0.145111
    53  C    0.076625
    54  C    0.079340
    55  C   -0.152996
    56  C    0.059643
    57  C   -0.037931
    58  C   -0.019900
    59  C    0.055487
    60  C   -0.148011
    61  C    0.080262
    62  O   -0.795155
    63  P    2.347020
    64  O   -1.025195
    65  O   -1.098794
    66  C    0.512015
    67  C    0.014415
    68  C    0.567810
    69  C    0.009106
   113  Cl  -0.738111
 Electronic spatial extent (au):  <R**2>=          74482.8913
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.4063    Y=             -3.6177    Z=              0.2515  Tot=              4.3522
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -399.4246   YY=           -376.4814   ZZ=           -407.2353
   XY=            -12.0007   XZ=             17.4662   YZ=             -2.1642
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.0442   YY=             17.8991   ZZ=            -12.8549
   XY=            -12.0007   XZ=             17.4662   YZ=             -2.1642
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -46.3534  YYY=           -163.5911  ZZZ=            101.0188  XYY=             63.7316
  XXY=            -39.5923  XXZ=            -69.7336  XZZ=             57.3394  YZZ=            -45.4636
  YYZ=            137.1353  XYZ=            -12.4300
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -63004.4762 YYYY=         -27826.2332 ZZZZ=          -9044.1542 XXXY=            302.7594
 XXXZ=            108.6873 YYYX=           -443.0465 YYYZ=            -59.4075 ZZZX=            463.7642
 ZZZY=           -181.1088 XXYY=         -14410.4610 XXZZ=         -11883.5494 YYZZ=          -6333.0861
 XXYZ=            -13.2830 YYXZ=            -92.8502 ZZXY=           -230.8143
 N-N= 1.069795123670D+04 E-N=-2.982262411659D+04  KE= 3.583879107803D+03
  Exact polarizability:1047.975  20.878 841.502  22.672  53.731 560.037
 Approx polarizability:1456.838  31.2121306.810  32.862  95.200 946.707
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.9706   -1.0579   -0.5261   -0.0023   -0.0021   -0.0007
 Low frequencies ---    8.2604   11.9334   13.6250
 Diagonal vibrational polarizability:
      185.4427396     160.1463221     271.0001177
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --      8.2560                11.9315                13.6248
 Red. masses --      6.6870                 5.8987                 5.7544
 Frc consts  --      0.0003                 0.0005                 0.0006
 IR Inten    --      0.1698                 0.0701                 0.1198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.04     0.00  -0.00  -0.02    -0.00  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.00  -0.03     0.01  -0.00   0.04
     3   6     0.00  -0.01  -0.03    -0.00  -0.00  -0.04     0.01  -0.00   0.04
     4   6     0.00  -0.01  -0.04    -0.00  -0.01  -0.06     0.00  -0.00   0.03
     5   6     0.01  -0.01  -0.05    -0.00  -0.01  -0.06    -0.00  -0.01   0.01
     6   6     0.01  -0.01  -0.05     0.00  -0.00  -0.04    -0.00  -0.01  -0.00
     7   6    -0.00  -0.01  -0.03    -0.00  -0.00  -0.04     0.00  -0.00   0.04
     8   6    -0.00  -0.01  -0.04    -0.00  -0.00  -0.04     0.01  -0.00   0.03
     9   6     0.00  -0.02  -0.06    -0.00  -0.00  -0.04     0.01  -0.00   0.03
    10   6     0.00  -0.01  -0.04    -0.00  -0.01  -0.05     0.00  -0.00   0.02
    11   6    -0.01  -0.01  -0.00    -0.01  -0.00  -0.03     0.00   0.00   0.04
    12   6    -0.02  -0.01   0.00    -0.01  -0.00  -0.02     0.01   0.01   0.01
    13   6    -0.02  -0.01  -0.02    -0.01  -0.00  -0.03     0.01   0.00  -0.00
    14   6    -0.01  -0.01  -0.05    -0.00  -0.00  -0.03     0.01  -0.00   0.01
    15   7     0.00  -0.02  -0.07    -0.01   0.00  -0.03     0.01  -0.00   0.02
    16   6     0.00  -0.01  -0.05    -0.00   0.00  -0.02     0.01  -0.00   0.02
    17   6     0.01  -0.01  -0.03    -0.00  -0.01  -0.04     0.00  -0.00   0.02
    18   7     0.01  -0.01  -0.03    -0.00  -0.01  -0.06     0.00  -0.01   0.02
    19   6     0.00  -0.01  -0.05     0.00   0.01   0.01     0.01   0.00   0.02
    20   6     0.01  -0.00  -0.03     0.01   0.01   0.02     0.01   0.00   0.02
    21   6     0.01   0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.01
    22   6     0.01   0.01  -0.01    -0.00  -0.01  -0.04     0.00  -0.00   0.01
    23   7     0.01  -0.00  -0.04     0.01   0.01   0.01    -0.00  -0.01   0.00
    24   7    -0.03  -0.00   0.04    -0.01  -0.01  -0.02     0.01   0.02  -0.01
    25   7     0.02   0.03   0.03     0.01  -0.00   0.00     0.00  -0.00   0.01
    26   6    -0.02   0.00   0.06    -0.00  -0.01  -0.01     0.01  -0.01  -0.05
    27   6    -0.05   0.01   0.10    -0.00  -0.01  -0.00     0.00   0.02  -0.05
    28   6    -0.07   0.01   0.10    -0.01  -0.02  -0.00    -0.00   0.07  -0.01
    29   6    -0.07  -0.00   0.06    -0.02  -0.01  -0.01    -0.00   0.06   0.02
    30   6     0.02   0.01  -0.05     0.03  -0.01   0.03     0.01   0.03  -0.05
    31   6     0.02   0.01  -0.05     0.02  -0.00   0.07    -0.00   0.01  -0.05
    32   6     0.01  -0.00  -0.03    -0.00   0.01   0.07    -0.02  -0.05   0.01
    33   6     0.00  -0.01  -0.02    -0.01   0.02   0.03    -0.02  -0.06   0.04
    34   6     0.01   0.02   0.07    -0.03   0.03  -0.05    -0.01   0.01  -0.01
    35   6     0.03   0.03   0.10    -0.01   0.02  -0.01    -0.01   0.00  -0.02
    36   6     0.05   0.05   0.08     0.05  -0.03   0.06    -0.00  -0.01  -0.00
    37   6     0.04   0.05   0.03     0.05  -0.04   0.06     0.00  -0.01   0.01
    38   6    -0.11   0.01   0.14    -0.02  -0.02   0.00    -0.01   0.12   0.01
    39   6    -0.13   0.01   0.13    -0.03  -0.02  -0.00    -0.02   0.16   0.06
    40   6    -0.12   0.00   0.09    -0.03  -0.02  -0.01    -0.02   0.15   0.08
    41   6    -0.09  -0.00   0.05    -0.03  -0.01  -0.02    -0.01   0.10   0.06
    42   6     0.01   0.00   0.05     0.01  -0.01  -0.01     0.02  -0.06  -0.08
    43   6     0.02   0.01   0.08     0.01  -0.01  -0.00     0.02  -0.07  -0.12
    44   6    -0.01   0.01   0.12     0.01  -0.01   0.00     0.01  -0.04  -0.13
    45   6    -0.04   0.01   0.13     0.00  -0.02   0.00     0.01   0.01  -0.09
    46   6     0.00  -0.01  -0.02    -0.02   0.03   0.10    -0.04  -0.10   0.04
    47   6    -0.01  -0.02  -0.00    -0.04   0.04   0.10    -0.06  -0.15   0.11
    48   6    -0.01  -0.03   0.00    -0.05   0.04   0.06    -0.06  -0.15   0.13
    49   6    -0.01  -0.02  -0.01    -0.04   0.03   0.03    -0.04  -0.11   0.10
    50   6     0.03   0.02  -0.07     0.05  -0.02   0.02     0.03   0.09  -0.10
    51   6     0.04   0.03  -0.08     0.07  -0.03   0.04     0.03   0.12  -0.15
    52   6     0.04   0.03  -0.08     0.06  -0.03   0.08     0.02   0.10  -0.16
    53   6     0.03   0.02  -0.06     0.04  -0.01   0.09     0.00   0.04  -0.10
    54   6     0.07   0.08   0.09     0.09  -0.06   0.12    -0.00  -0.01  -0.00
    55   6     0.09   0.09   0.06     0.14  -0.10   0.18     0.00  -0.02   0.02
    56   6     0.08   0.09   0.02     0.15  -0.11   0.18     0.01  -0.03   0.03
    57   6     0.06   0.06   0.00     0.10  -0.08   0.12     0.01  -0.02   0.03
    58   6    -0.01  -0.01   0.08    -0.08   0.07  -0.11    -0.01   0.02  -0.03
    59   6    -0.02  -0.01   0.13    -0.11   0.10  -0.15    -0.02   0.03  -0.04
    60   6    -0.00   0.01   0.16    -0.09   0.09  -0.12    -0.02   0.02  -0.05
    61   6     0.02   0.03   0.15    -0.04   0.04  -0.05    -0.02   0.01  -0.04
    62   8     0.00  -0.03  -0.07    -0.02   0.01  -0.03     0.01  -0.02   0.01
    63  15     0.00  -0.03  -0.07    -0.02   0.01  -0.02     0.01  -0.01   0.01
    64   8     0.00  -0.03  -0.07    -0.03   0.02  -0.00     0.01  -0.02   0.01
    65   8    -0.00  -0.02  -0.08     0.00   0.01  -0.00     0.01  -0.01   0.00
    66   6     0.00  -0.05  -0.07    -0.05   0.02  -0.01     0.00  -0.03   0.02
    67   6     0.01  -0.05  -0.05    -0.04   0.02   0.01     0.01  -0.03   0.03
    68   6    -0.00  -0.03  -0.09     0.00   0.01   0.01     0.01  -0.01  -0.00
    69   6    -0.00  -0.02  -0.10     0.01   0.01  -0.00     0.01  -0.01  -0.01
    70   1     0.01  -0.00  -0.02     0.00   0.00  -0.01     0.01  -0.01   0.06
    71   1     0.01  -0.02  -0.06    -0.00  -0.01  -0.07    -0.00  -0.01  -0.01
    72   1     0.01  -0.01  -0.06     0.00  -0.00  -0.04    -0.00  -0.01  -0.03
    73   1    -0.01  -0.00   0.02    -0.01  -0.00  -0.03     0.00   0.00   0.05
    74   1    -0.03  -0.01  -0.02    -0.01  -0.00  -0.02     0.01   0.01  -0.02
    75   1    -0.01  -0.01  -0.07    -0.00  -0.00  -0.03     0.01   0.00  -0.00
    76   1     0.00  -0.02  -0.07     0.01   0.02   0.04     0.01   0.00   0.03
    77   1     0.01  -0.00  -0.03     0.01   0.02   0.05     0.01   0.00   0.02
    78   1     0.01   0.01   0.01    -0.00  -0.02  -0.06    -0.00  -0.01   0.01
    79   1    -0.11   0.02   0.17    -0.02  -0.03   0.01    -0.02   0.12  -0.00
    80   1    -0.16   0.01   0.15    -0.03  -0.03   0.00    -0.03   0.19   0.07
    81   1    -0.14  -0.00   0.08    -0.04  -0.02  -0.01    -0.02   0.18   0.11
    82   1    -0.09  -0.01   0.02    -0.03  -0.01  -0.02    -0.00   0.09   0.07
    83   1     0.03  -0.00   0.02     0.01  -0.00  -0.02     0.02  -0.08  -0.08
    84   1     0.04   0.01   0.07     0.02  -0.00  -0.00     0.03  -0.11  -0.15
    85   1    -0.00   0.02   0.14     0.02  -0.02   0.01     0.02  -0.06  -0.16
    86   1    -0.06   0.02   0.16     0.00  -0.02   0.01     0.00   0.03  -0.09
    87   1     0.01  -0.00  -0.03    -0.01   0.02   0.13    -0.04  -0.09   0.02
    88   1    -0.01  -0.02   0.00    -0.05   0.05   0.12    -0.08  -0.18   0.13
    89   1    -0.02  -0.04   0.02    -0.07   0.05   0.06    -0.07  -0.20   0.18
    90   1    -0.01  -0.03  -0.00    -0.04   0.03   0.00    -0.04  -0.12   0.12
    91   1     0.03   0.02  -0.07     0.06  -0.03  -0.01     0.03   0.10  -0.10
    92   1     0.05   0.04  -0.09     0.09  -0.04   0.03     0.05   0.16  -0.19
    93   1     0.05   0.04  -0.09     0.08  -0.03   0.10     0.03   0.12  -0.20
    94   1     0.03   0.02  -0.06     0.04  -0.01   0.12    -0.00   0.02  -0.10
    95   1     0.07   0.08   0.13     0.08  -0.05   0.11    -0.01  -0.01  -0.01
    96   1     0.10   0.11   0.07     0.17  -0.12   0.22     0.00  -0.03   0.02
    97   1     0.10   0.10  -0.01     0.18  -0.14   0.23     0.01  -0.03   0.04
    98   1     0.06   0.06  -0.03     0.11  -0.09   0.12     0.01  -0.02   0.04
    99   1    -0.02  -0.02   0.06    -0.09   0.09  -0.13    -0.01   0.02  -0.02
   100   1    -0.03  -0.03   0.14    -0.15   0.13  -0.20    -0.02   0.03  -0.05
   101   1    -0.01   0.00   0.20    -0.11   0.11  -0.15    -0.03   0.03  -0.07
   102   1     0.03   0.04   0.17    -0.02   0.03  -0.03    -0.02   0.01  -0.04
   103   1     0.00  -0.04  -0.07    -0.05   0.03  -0.03     0.00  -0.03   0.02
   104   1    -0.01  -0.06  -0.07    -0.07   0.02  -0.00    -0.00  -0.04   0.01
   105   1     0.01  -0.06  -0.05    -0.06   0.02   0.01     0.00  -0.04   0.04
   106   1     0.01  -0.06  -0.05    -0.04   0.01   0.03     0.01  -0.04   0.04
   107   1     0.02  -0.04  -0.04    -0.03   0.02  -0.00     0.01  -0.03   0.04
   108   1    -0.00  -0.02  -0.09     0.01   0.01   0.02     0.01  -0.00  -0.01
   109   1    -0.01  -0.04  -0.09    -0.01   0.02   0.01     0.01  -0.01  -0.00
   110   1    -0.01  -0.03  -0.11     0.01   0.01   0.01     0.01  -0.01  -0.01
   111   1    -0.00  -0.03  -0.10     0.00   0.00  -0.01     0.01  -0.01  -0.01
   112   1    -0.00  -0.02  -0.10     0.02  -0.00  -0.00     0.01  -0.00  -0.01
   113  17     0.02  -0.02  -0.04    -0.01   0.02  -0.04     0.01  -0.01   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --     15.9386                18.0632                20.1464
 Red. masses --      5.8277                 5.8593                 6.0768
 Frc consts  --      0.0009                 0.0011                 0.0015
 IR Inten    --      0.1263                 0.1638                 0.0243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.04     0.01  -0.02   0.01     0.00  -0.01   0.02
     2   6    -0.01   0.01  -0.03     0.01  -0.01   0.02    -0.01  -0.01   0.03
     3   6    -0.01   0.01  -0.04     0.01  -0.01   0.02    -0.01  -0.02   0.02
     4   6    -0.01   0.01  -0.06     0.01  -0.01   0.01    -0.01  -0.03   0.01
     5   6    -0.01   0.00  -0.09     0.01  -0.01   0.01    -0.00  -0.03   0.00
     6   6    -0.01   0.00  -0.08     0.01  -0.01   0.01     0.00  -0.02   0.00
     7   6    -0.01   0.01  -0.03     0.01  -0.01   0.01    -0.02  -0.02   0.03
     8   6    -0.01   0.01  -0.02     0.01  -0.02   0.01    -0.02  -0.02   0.03
     9   6    -0.01   0.02  -0.03     0.01  -0.02   0.01    -0.01  -0.03   0.02
    10   6    -0.01   0.01  -0.05     0.01  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01   0.00  -0.02     0.01  -0.01   0.01    -0.02  -0.02   0.03
    12   6    -0.00  -0.00  -0.01     0.00  -0.00   0.01    -0.02  -0.02   0.03
    13   6    -0.01   0.00   0.00    -0.01  -0.01   0.02    -0.02  -0.02   0.03
    14   6    -0.01   0.01   0.00    -0.00  -0.02   0.02    -0.02  -0.02   0.03
    15   7    -0.01   0.02  -0.02     0.01  -0.02  -0.00    -0.01  -0.03   0.01
    16   6    -0.01   0.01  -0.03     0.01  -0.02  -0.01    -0.01  -0.03   0.01
    17   6    -0.01   0.01  -0.04     0.01  -0.01  -0.00    -0.02  -0.03   0.01
    18   7    -0.01   0.00  -0.05     0.01  -0.02   0.01    -0.02  -0.03   0.01
    19   6    -0.01   0.00  -0.02     0.01  -0.02  -0.02    -0.01  -0.02   0.00
    20   6    -0.01  -0.00  -0.02     0.01  -0.01  -0.02    -0.01  -0.02   0.01
    21   6    -0.00  -0.00  -0.02     0.01  -0.01  -0.01    -0.02  -0.01   0.01
    22   6    -0.00   0.00  -0.03     0.00  -0.01  -0.00    -0.02  -0.02   0.01
    23   7    -0.01   0.01  -0.01     0.00  -0.02   0.00     0.02   0.01   0.03
    24   7    -0.00  -0.01  -0.01    -0.00   0.01  -0.01    -0.02  -0.02   0.03
    25   7     0.00  -0.01  -0.01     0.00   0.01  -0.00    -0.02   0.00   0.02
    26   6    -0.00  -0.01  -0.01    -0.07   0.07   0.03    -0.01  -0.03   0.01
    27   6     0.01  -0.02  -0.03    -0.06   0.09   0.01     0.01  -0.06  -0.02
    28   6     0.02  -0.04  -0.04     0.01   0.05  -0.03     0.03  -0.07  -0.04
    29   6     0.01  -0.03  -0.03     0.04   0.00  -0.04     0.01  -0.05  -0.01
    30   6     0.02   0.01  -0.01    -0.01  -0.01  -0.01     0.07   0.04  -0.01
    31   6     0.00  -0.00   0.05    -0.02  -0.04   0.00     0.09   0.09  -0.03
    32   6    -0.04  -0.02   0.09    -0.02  -0.06   0.02     0.06   0.09  -0.00
    33   6    -0.05  -0.01   0.05    -0.00  -0.05   0.02     0.01   0.04   0.03
    34   6     0.03  -0.04   0.04    -0.02   0.02  -0.01    -0.05   0.02   0.01
    35   6     0.04  -0.05   0.05    -0.02   0.03  -0.01    -0.07   0.06  -0.01
    36   6     0.02  -0.02   0.02     0.00   0.03   0.00    -0.05   0.07  -0.02
    37   6    -0.00   0.00  -0.02     0.02   0.01   0.00    -0.02   0.03   0.00
    38   6     0.04  -0.06  -0.06     0.04   0.05  -0.07     0.06  -0.11  -0.07
    39   6     0.04  -0.07  -0.07     0.11   0.00  -0.10     0.07  -0.11  -0.07
    40   6     0.03  -0.06  -0.06     0.14  -0.04  -0.11     0.05  -0.08  -0.04
    41   6     0.02  -0.04  -0.04     0.11  -0.04  -0.08     0.02  -0.05  -0.01
    42   6    -0.01   0.01   0.00    -0.12   0.10   0.07    -0.03  -0.01   0.03
    43   6    -0.01   0.01   0.00    -0.18   0.16   0.10    -0.02  -0.03   0.01
    44   6     0.00  -0.01  -0.01    -0.18   0.19   0.09     0.01  -0.06  -0.03
    45   6     0.01  -0.03  -0.03    -0.12   0.15   0.05     0.03  -0.08  -0.04
    46   6    -0.08  -0.04   0.16    -0.02  -0.08   0.03     0.06   0.13  -0.01
    47   6    -0.12  -0.05   0.18    -0.02  -0.10   0.05     0.02   0.12   0.02
    48   6    -0.12  -0.04   0.14    -0.01  -0.09   0.05    -0.02   0.07   0.05
    49   6    -0.09  -0.02   0.07     0.00  -0.06   0.03    -0.03   0.03   0.06
    50   6     0.06   0.03  -0.06    -0.00   0.01  -0.02     0.09   0.03  -0.03
    51   6     0.08   0.03  -0.05    -0.01   0.01  -0.03     0.14   0.08  -0.07
    52   6     0.07   0.01   0.01    -0.03  -0.01  -0.02     0.17   0.13  -0.09
    53   6     0.03  -0.00   0.06    -0.03  -0.03  -0.01     0.15   0.13  -0.07
    54   6     0.02  -0.02   0.01     0.01   0.04   0.01    -0.06   0.10  -0.04
    55   6    -0.01   0.01  -0.03     0.04   0.04   0.01    -0.03   0.10  -0.04
    56   6    -0.03   0.03  -0.06     0.05   0.02   0.02    -0.00   0.07  -0.03
    57   6    -0.03   0.03  -0.06     0.04   0.01   0.01     0.00   0.03  -0.00
    58   6     0.05  -0.06   0.06    -0.04   0.02  -0.02    -0.06   0.00   0.03
    59   6     0.08  -0.09   0.11    -0.05   0.03  -0.02    -0.09   0.03   0.01
    60   6     0.09  -0.10   0.13    -0.06   0.05  -0.02    -0.11   0.07  -0.01
    61   6     0.07  -0.07   0.10    -0.04   0.05  -0.01    -0.10   0.08  -0.02
    62   8    -0.01   0.06   0.02     0.03  -0.02   0.01    -0.00  -0.03   0.02
    63  15    -0.01   0.04   0.01     0.02  -0.02  -0.01    -0.01  -0.03   0.01
    64   8    -0.01   0.06  -0.00     0.03  -0.03  -0.02    -0.00  -0.03   0.00
    65   8    -0.01   0.02   0.03     0.01  -0.02  -0.02    -0.01  -0.03   0.00
    66   6    -0.00   0.09  -0.01     0.05  -0.03  -0.02     0.01  -0.04   0.00
    67   6     0.00   0.10  -0.05     0.05  -0.03  -0.02     0.01  -0.04   0.01
    68   6    -0.02   0.03   0.06     0.02  -0.02  -0.02    -0.01  -0.03  -0.00
    69   6    -0.02   0.03   0.09     0.02  -0.02  -0.01    -0.01  -0.03   0.00
    70   1    -0.00   0.01  -0.01     0.01  -0.02   0.02    -0.01  -0.00   0.04
    71   1    -0.02   0.00  -0.10     0.01  -0.01   0.01    -0.00  -0.04  -0.01
    72   1    -0.02   0.00  -0.09     0.01  -0.01   0.01     0.01  -0.02  -0.00
    73   1    -0.01   0.00  -0.03     0.01  -0.00  -0.01    -0.02  -0.02   0.03
    74   1    -0.00  -0.00   0.02    -0.02  -0.02   0.03    -0.03  -0.02   0.03
    75   1    -0.01   0.01   0.01    -0.01  -0.03   0.03    -0.02  -0.02   0.03
    76   1    -0.02   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.03  -0.00
    77   1    -0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.01  -0.01   0.01
    78   1     0.01  -0.00  -0.04    -0.00  -0.01   0.00    -0.02  -0.02   0.02
    79   1     0.04  -0.07  -0.07     0.01   0.09  -0.06     0.07  -0.13  -0.10
    80   1     0.05  -0.09  -0.08     0.14   0.00  -0.13     0.09  -0.13  -0.10
    81   1     0.04  -0.06  -0.07     0.19  -0.08  -0.14     0.05  -0.09  -0.04
    82   1     0.01  -0.03  -0.03     0.13  -0.08  -0.08    -0.00  -0.03   0.02
    83   1    -0.02   0.03   0.02    -0.12   0.08   0.07    -0.05   0.01   0.05
    84   1    -0.02   0.02   0.02    -0.23   0.19   0.13    -0.03  -0.02   0.02
    85   1     0.01  -0.01  -0.01    -0.23   0.24   0.12     0.02  -0.08  -0.04
    86   1     0.02  -0.04  -0.04    -0.12   0.17   0.04     0.05  -0.10  -0.07
    87   1    -0.07  -0.04   0.19    -0.03  -0.09   0.03     0.10   0.17  -0.03
    88   1    -0.14  -0.06   0.24    -0.03  -0.12   0.06     0.03   0.15   0.01
    89   1    -0.15  -0.05   0.16    -0.01  -0.10   0.06    -0.06   0.06   0.07
    90   1    -0.09  -0.01   0.04     0.01  -0.05   0.03    -0.07  -0.01   0.08
    91   1     0.08   0.04  -0.10     0.00   0.03  -0.03     0.07  -0.01  -0.01
    92   1     0.12   0.04  -0.08    -0.01   0.03  -0.04     0.17   0.07  -0.08
    93   1     0.09   0.01   0.02    -0.03  -0.01  -0.03     0.22   0.16  -0.12
    94   1     0.01  -0.02   0.11    -0.04  -0.05  -0.00     0.17   0.17  -0.09
    95   1     0.04  -0.04   0.04     0.00   0.06   0.01    -0.08   0.13  -0.05
    96   1    -0.01   0.01  -0.03     0.04   0.04   0.02    -0.04   0.13  -0.06
    97   1    -0.05   0.05  -0.09     0.07   0.01   0.02     0.01   0.07  -0.03
    98   1    -0.05   0.04  -0.09     0.05  -0.01   0.01     0.02   0.00   0.01
    99   1     0.04  -0.05   0.05    -0.03   0.01  -0.02    -0.05  -0.03   0.04
   100   1     0.09  -0.10   0.13    -0.07   0.03  -0.03    -0.10   0.01   0.02
   101   1     0.11  -0.12   0.17    -0.07   0.06  -0.02    -0.14   0.08  -0.02
   102   1     0.08  -0.08   0.12    -0.04   0.06  -0.01    -0.11   0.11  -0.04
   103   1     0.00   0.10  -0.01     0.05  -0.03  -0.00     0.01  -0.04   0.01
   104   1     0.00   0.11   0.00     0.06  -0.03  -0.02     0.01  -0.04  -0.00
   105   1     0.01   0.12  -0.06     0.06  -0.03  -0.02     0.01  -0.05   0.01
   106   1     0.00   0.09  -0.05     0.04  -0.02  -0.04     0.01  -0.04   0.00
   107   1     0.00   0.08  -0.07     0.04  -0.03  -0.02     0.01  -0.04   0.01
   108   1    -0.02   0.01   0.06     0.02  -0.02  -0.03    -0.02  -0.03  -0.01
   109   1    -0.01   0.05   0.06     0.04  -0.02  -0.03    -0.00  -0.03  -0.00
   110   1    -0.02   0.04   0.11     0.03  -0.02  -0.01    -0.01  -0.03   0.00
   111   1    -0.01   0.05   0.09     0.03  -0.03   0.00    -0.01  -0.03   0.01
   112   1    -0.03   0.01   0.10     0.01  -0.02  -0.01    -0.02  -0.03   0.01
   113  17    -0.00   0.05  -0.04     0.02  -0.03   0.01     0.00  -0.03   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --     24.7057                25.5999                31.5991
 Red. masses --      4.5948                 5.0588                 3.9097
 Frc consts  --      0.0017                 0.0020                 0.0023
 IR Inten    --      0.0517                 0.1481                 0.6146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.02     0.02  -0.02  -0.05    -0.03  -0.00   0.04
     2   6    -0.00  -0.02  -0.01     0.02  -0.02  -0.06    -0.02  -0.00   0.03
     3   6    -0.00  -0.03  -0.01     0.02  -0.02  -0.05    -0.02   0.00   0.02
     4   6    -0.00  -0.03  -0.02     0.02  -0.02  -0.05    -0.02   0.01   0.02
     5   6    -0.00  -0.03  -0.03     0.02  -0.02  -0.05    -0.03   0.01   0.04
     6   6     0.00  -0.03  -0.03     0.02  -0.02  -0.05    -0.03   0.00   0.05
     7   6    -0.01  -0.03   0.01     0.02  -0.02  -0.06    -0.02  -0.00   0.01
     8   6    -0.01  -0.03   0.01     0.02  -0.02  -0.05    -0.01   0.00  -0.01
     9   6    -0.00  -0.03  -0.01     0.01  -0.02  -0.03    -0.01   0.00  -0.01
    10   6    -0.01  -0.03  -0.03     0.02  -0.02  -0.02    -0.02   0.01   0.01
    11   6    -0.01  -0.03   0.01     0.02  -0.02  -0.06    -0.02  -0.00   0.01
    12   6    -0.01  -0.03   0.02     0.02  -0.02  -0.06    -0.01   0.00  -0.00
    13   6    -0.02  -0.03   0.04     0.02  -0.02  -0.06    -0.01   0.00  -0.02
    14   6    -0.02  -0.03   0.04     0.02  -0.02  -0.05    -0.01   0.00  -0.02
    15   7    -0.00  -0.03  -0.01     0.01  -0.01   0.00    -0.01   0.01  -0.02
    16   6    -0.01  -0.03  -0.03     0.02  -0.00   0.04    -0.01   0.02  -0.02
    17   6    -0.01  -0.04  -0.04     0.03  -0.01   0.03    -0.02   0.02  -0.02
    18   7    -0.01  -0.04  -0.04     0.03  -0.02  -0.00    -0.03   0.01  -0.00
    19   6    -0.01  -0.03  -0.04     0.03   0.01   0.08    -0.00   0.03  -0.02
    20   6    -0.01  -0.03  -0.04     0.03   0.01   0.10    -0.01   0.04  -0.03
    21   6    -0.01  -0.03  -0.04     0.03  -0.00   0.07    -0.02   0.03  -0.04
    22   6    -0.01  -0.03  -0.04     0.03  -0.01   0.04    -0.03   0.03  -0.03
    23   7     0.01  -0.02  -0.01     0.03  -0.01  -0.04    -0.03  -0.00   0.04
    24   7    -0.01  -0.01   0.00     0.02  -0.02  -0.05    -0.01  -0.00  -0.00
    25   7    -0.01  -0.01  -0.02     0.03  -0.01   0.07    -0.03   0.03  -0.05
    26   6    -0.03  -0.02  -0.02     0.01   0.00  -0.02    -0.01   0.00   0.00
    27   6    -0.04   0.02  -0.02    -0.02   0.03   0.02    -0.01  -0.01  -0.00
    28   6    -0.03   0.05   0.00    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    29   6    -0.01   0.03   0.02    -0.00  -0.00  -0.03    -0.01  -0.01  -0.01
    30   6     0.01  -0.03   0.01     0.04  -0.02  -0.02    -0.02   0.01   0.02
    31   6     0.02  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.03  -0.01
    32   6     0.02   0.00  -0.02     0.02  -0.01   0.02    -0.01   0.03  -0.01
    33   6     0.01   0.00  -0.02     0.01  -0.01  -0.01    -0.02   0.01   0.03
    34   6    -0.03  -0.01   0.00     0.03   0.01   0.03     0.00   0.01  -0.03
    35   6    -0.03   0.02   0.01    -0.02   0.03  -0.03     0.03  -0.03   0.01
    36   6    -0.00   0.03   0.00    -0.04   0.04  -0.04     0.02  -0.03   0.01
    37   6     0.01   0.01  -0.02    -0.01   0.02   0.02    -0.02   0.01  -0.02
    38   6    -0.03   0.09   0.02    -0.05   0.05   0.05    -0.00  -0.02  -0.02
    39   6    -0.02   0.11   0.04    -0.06   0.04   0.03     0.00  -0.03  -0.02
    40   6    -0.01   0.09   0.05    -0.03   0.01  -0.01    -0.00  -0.02  -0.02
    41   6    -0.00   0.04   0.04    -0.01  -0.01  -0.04    -0.01  -0.01  -0.01
    42   6    -0.04  -0.05  -0.04     0.02   0.00  -0.03    -0.01   0.01   0.01
    43   6    -0.05  -0.05  -0.07     0.00   0.03   0.01    -0.01   0.01   0.01
    44   6    -0.06  -0.01  -0.07    -0.02   0.06   0.05    -0.01   0.00   0.01
    45   6    -0.05   0.02  -0.05    -0.04   0.06   0.05    -0.01  -0.00   0.00
    46   6     0.03   0.03  -0.03     0.00  -0.01   0.04     0.00   0.04  -0.03
    47   6     0.03   0.04  -0.05    -0.01  -0.00   0.04     0.00   0.03  -0.02
    48   6     0.02   0.04  -0.05    -0.02   0.00   0.01    -0.01   0.01   0.01
    49   6     0.01   0.02  -0.04    -0.01   0.00  -0.02    -0.03  -0.00   0.04
    50   6     0.01  -0.05   0.02     0.05  -0.03  -0.03    -0.03   0.02   0.02
    51   6     0.01  -0.06   0.04     0.06  -0.04  -0.01    -0.02   0.04  -0.01
    52   6     0.02  -0.05   0.04     0.06  -0.04   0.02    -0.00   0.06  -0.04
    53   6     0.02  -0.02   0.02     0.04  -0.03   0.03     0.00   0.06  -0.04
    54   6     0.01   0.06   0.01    -0.08   0.06  -0.10     0.03  -0.06   0.05
    55   6     0.04   0.06  -0.01    -0.10   0.06  -0.10     0.02  -0.06   0.04
    56   6     0.05   0.04  -0.03    -0.07   0.04  -0.04    -0.02  -0.02   0.01
    57   6     0.03   0.02  -0.03    -0.02   0.01   0.02    -0.03   0.01  -0.02
    58   6    -0.05  -0.03   0.01     0.05  -0.00   0.06     0.01   0.02  -0.04
    59   6    -0.07  -0.02   0.03     0.03   0.01   0.01     0.04  -0.00  -0.01
    60   6    -0.07   0.01   0.04    -0.00   0.04  -0.05     0.07  -0.04   0.03
    61   6    -0.05   0.03   0.04    -0.03   0.05  -0.07     0.06  -0.05   0.04
    62   8     0.02   0.02   0.05    -0.04  -0.02  -0.04     0.01  -0.03  -0.05
    63  15     0.02   0.01   0.03    -0.02  -0.01   0.01     0.01  -0.01  -0.03
    64   8     0.03   0.03   0.00    -0.07   0.02   0.06    -0.01   0.01  -0.02
    65   8     0.01  -0.02   0.05     0.04   0.00   0.04     0.04   0.02  -0.04
    66   6     0.06   0.09  -0.02    -0.14  -0.03   0.07    -0.04  -0.06   0.01
    67   6     0.06   0.09  -0.08    -0.16  -0.03   0.16    -0.05  -0.07   0.09
    68   6     0.07   0.01   0.10     0.07   0.02   0.06     0.20   0.05  -0.04
    69   6     0.08  -0.02   0.26     0.10  -0.03   0.06     0.25  -0.05   0.13
    70   1    -0.00  -0.02  -0.00     0.02  -0.02  -0.06    -0.02  -0.01   0.03
    71   1    -0.00  -0.04  -0.04     0.02  -0.02  -0.04    -0.03   0.01   0.04
    72   1     0.00  -0.03  -0.03     0.02  -0.02  -0.05    -0.03   0.01   0.06
    73   1    -0.00  -0.02   0.00     0.02  -0.02  -0.07    -0.02  -0.00   0.02
    74   1    -0.02  -0.03   0.05     0.03  -0.02  -0.06    -0.01   0.00  -0.02
    75   1    -0.02  -0.04   0.05     0.02  -0.02  -0.04    -0.01   0.01  -0.03
    76   1    -0.01  -0.03  -0.04     0.03   0.02   0.10     0.01   0.04  -0.01
    77   1    -0.01  -0.03  -0.04     0.04   0.02   0.12    -0.01   0.05  -0.03
    78   1    -0.01  -0.03  -0.04     0.03  -0.01   0.03    -0.04   0.03  -0.03
    79   1    -0.04   0.11   0.01    -0.07   0.07   0.08     0.00  -0.02  -0.02
    80   1    -0.03   0.14   0.05    -0.08   0.06   0.06     0.00  -0.03  -0.03
    81   1     0.00   0.10   0.07    -0.04   0.00  -0.02    -0.00  -0.03  -0.02
    82   1     0.01   0.03   0.04     0.01  -0.04  -0.07    -0.01  -0.01  -0.01
    83   1    -0.03  -0.08  -0.04     0.04  -0.02  -0.06    -0.02   0.01   0.01
    84   1    -0.06  -0.08  -0.08     0.01   0.03   0.01    -0.02   0.02   0.02
    85   1    -0.07  -0.01  -0.09    -0.04   0.08   0.08    -0.01   0.01   0.01
    86   1    -0.06   0.05  -0.05    -0.06   0.08   0.08    -0.01  -0.01   0.00
    87   1     0.03   0.03  -0.03     0.00  -0.02   0.06     0.02   0.06  -0.05
    88   1     0.03   0.06  -0.06    -0.03  -0.00   0.06     0.01   0.05  -0.04
    89   1     0.02   0.05  -0.06    -0.03   0.01   0.01    -0.01   0.01   0.02
    90   1     0.01   0.01  -0.04    -0.01   0.00  -0.04    -0.04  -0.02   0.06
    91   1     0.00  -0.07   0.02     0.06  -0.03  -0.05    -0.04   0.00   0.05
    92   1     0.01  -0.08   0.05     0.08  -0.05  -0.01    -0.02   0.04  -0.01
    93   1     0.02  -0.05   0.05     0.07  -0.05   0.04     0.01   0.07  -0.06
    94   1     0.03  -0.01   0.02     0.04  -0.03   0.06     0.01   0.07  -0.07
    95   1     0.01   0.07   0.02    -0.10   0.08  -0.15     0.06  -0.09   0.07
    96   1     0.05   0.08  -0.00    -0.13   0.08  -0.14     0.03  -0.09   0.07
    97   1     0.07   0.04  -0.04    -0.08   0.04  -0.04    -0.03  -0.02   0.01
    98   1     0.04  -0.00  -0.05     0.00  -0.00   0.07    -0.06   0.04  -0.05
    99   1    -0.06  -0.05  -0.00     0.08  -0.02   0.10    -0.01   0.05  -0.06
   100   1    -0.09  -0.03   0.03     0.05   0.01   0.03     0.04   0.01  -0.02
   101   1    -0.08   0.02   0.06    -0.02   0.05  -0.08     0.09  -0.06   0.05
   102   1    -0.04   0.05   0.05    -0.06   0.07  -0.12     0.08  -0.08   0.06
   103   1     0.06   0.10  -0.01    -0.15  -0.04   0.02    -0.04  -0.08  -0.01
   104   1     0.07   0.11   0.00    -0.18  -0.05   0.07    -0.05  -0.10  -0.02
   105   1     0.08   0.13  -0.09    -0.22  -0.06   0.17    -0.08  -0.12   0.10
   106   1     0.06   0.08  -0.09    -0.14  -0.02   0.22    -0.04  -0.05   0.10
   107   1     0.05   0.06  -0.10    -0.12  -0.01   0.16    -0.04  -0.04   0.11
   108   1     0.03  -0.01   0.05     0.09   0.03   0.07     0.15   0.09  -0.13
   109   1     0.17   0.07   0.07     0.06   0.04   0.06     0.32   0.10  -0.08
   110   1     0.13   0.01   0.30     0.13  -0.01   0.07     0.37  -0.02   0.14
   111   1     0.12   0.00   0.31     0.08  -0.04   0.05     0.28  -0.09   0.22
   112   1    -0.01  -0.08   0.30     0.11  -0.05   0.06     0.13  -0.10   0.18
   113  17     0.02   0.01  -0.02    -0.03  -0.01  -0.02    -0.01  -0.03   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --     38.5424                41.2324                46.0913
 Red. masses --      4.0020                 4.3578                 5.2879
 Frc consts  --      0.0035                 0.0044                 0.0066
 IR Inten    --      0.1093                 1.2252                 1.2985
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05  -0.01     0.01   0.01  -0.03     0.00   0.01  -0.09
     2   6     0.03   0.06  -0.01     0.01   0.02   0.00    -0.01   0.01  -0.05
     3   6     0.02   0.04  -0.00     0.00   0.01   0.01    -0.01   0.00  -0.02
     4   6     0.03   0.03   0.01     0.00  -0.00  -0.03    -0.01  -0.00  -0.03
     5   6     0.04   0.03   0.01     0.01  -0.01  -0.07    -0.00  -0.01  -0.08
     6   6     0.05   0.04   0.00     0.01   0.00  -0.07     0.00  -0.01  -0.11
     7   6     0.00   0.05  -0.01    -0.01   0.01   0.04    -0.02   0.00   0.02
     8   6    -0.01   0.03  -0.01    -0.01   0.01   0.03    -0.02   0.00   0.02
     9   6     0.00   0.02  -0.00     0.01   0.00  -0.02    -0.01  -0.00  -0.01
    10   6     0.02   0.02   0.00    -0.00  -0.01  -0.04    -0.01   0.00  -0.00
    11   6    -0.01   0.06  -0.00    -0.02   0.01   0.08    -0.03   0.00   0.06
    12   6    -0.02   0.06  -0.00    -0.03   0.01   0.09    -0.04   0.00   0.08
    13   6    -0.02   0.05  -0.01    -0.04   0.00   0.09    -0.05  -0.00   0.08
    14   6    -0.02   0.04  -0.02    -0.03   0.00   0.05    -0.04  -0.00   0.05
    15   7    -0.01  -0.00  -0.01     0.00   0.00  -0.02    -0.01   0.00  -0.01
    16   6    -0.01  -0.02  -0.01     0.00  -0.00  -0.03     0.00   0.02   0.03
    17   6     0.01  -0.01   0.00    -0.01  -0.02  -0.06     0.01   0.03   0.05
    18   7     0.02   0.00   0.01    -0.01  -0.02  -0.07     0.00   0.01   0.03
    19   6    -0.02  -0.04  -0.02     0.01   0.01  -0.01     0.01   0.03   0.04
    20   6    -0.01  -0.05  -0.01     0.00   0.00  -0.02     0.01   0.04   0.08
    21   6     0.01  -0.04   0.00    -0.01  -0.01  -0.06     0.02   0.05   0.09
    22   6     0.02  -0.03   0.01    -0.01  -0.02  -0.08     0.01   0.05   0.09
    23   7     0.04   0.05  -0.03     0.02   0.01  -0.04     0.01   0.02  -0.09
    24   7    -0.03   0.06   0.02    -0.04   0.02   0.09    -0.05   0.02   0.08
    25   7     0.02  -0.04   0.02    -0.01  -0.00  -0.05     0.02   0.04   0.09
    26   6     0.01   0.04   0.01    -0.04   0.00   0.04    -0.05  -0.00   0.04
    27   6     0.03  -0.01  -0.00    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01
    28   6     0.01  -0.02  -0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.02   0.02   0.00    -0.00   0.02   0.06    -0.02   0.01   0.05
    30   6     0.01   0.04  -0.02     0.00  -0.00  -0.02     0.02  -0.01  -0.05
    31   6    -0.02  -0.01   0.01    -0.01  -0.02   0.00     0.00  -0.02  -0.00
    32   6    -0.00  -0.03   0.01    -0.00  -0.01  -0.01    -0.01   0.00  -0.01
    33   6     0.04   0.01  -0.02     0.01   0.01  -0.03    -0.01   0.02  -0.06
    34   6    -0.01  -0.02   0.01    -0.01  -0.01  -0.02     0.04   0.04   0.04
    35   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.02   0.01   0.00
    36   6    -0.01   0.01  -0.01     0.02   0.01  -0.01    -0.02  -0.00   0.02
    37   6     0.02  -0.02   0.01     0.01   0.01  -0.04    -0.02   0.01   0.07
    38   6     0.01  -0.06  -0.03     0.05  -0.00  -0.03     0.03  -0.01  -0.03
    39   6    -0.01  -0.06  -0.03     0.07   0.01  -0.01     0.04   0.00  -0.01
    40   6    -0.04  -0.02  -0.02     0.05   0.03   0.04     0.03   0.02   0.04
    41   6    -0.05   0.03  -0.00     0.02   0.04   0.08    -0.00   0.03   0.07
    42   6     0.02   0.06   0.02    -0.07  -0.01   0.05    -0.08  -0.02   0.04
    43   6     0.05   0.03   0.02    -0.06  -0.04  -0.01    -0.07  -0.04  -0.01
    44   6     0.08  -0.02  -0.00    -0.03  -0.05  -0.06    -0.04  -0.05  -0.05
    45   6     0.06  -0.04  -0.01    -0.00  -0.04  -0.06    -0.02  -0.04  -0.05
    46   6    -0.02  -0.07   0.04    -0.01  -0.02   0.00    -0.03   0.00   0.03
    47   6     0.01  -0.08   0.03     0.00  -0.01  -0.01    -0.05   0.02   0.01
    48   6     0.05  -0.04   0.00     0.02   0.01  -0.03    -0.04   0.04  -0.04
    49   6     0.06   0.01  -0.02     0.02   0.02  -0.04    -0.02   0.04  -0.07
    50   6    -0.00   0.06  -0.02     0.01  -0.01  -0.01     0.04  -0.03  -0.06
    51   6    -0.04   0.04  -0.00    -0.01  -0.03   0.01     0.04  -0.06  -0.01
    52   6    -0.07  -0.01   0.03    -0.02  -0.04   0.04     0.02  -0.07   0.04
    53   6    -0.06  -0.04   0.03    -0.02  -0.04   0.03     0.00  -0.05   0.05
    54   6    -0.01   0.04  -0.02     0.03   0.02   0.00    -0.05  -0.03  -0.01
    55   6     0.01   0.04  -0.02     0.04   0.03  -0.01    -0.09  -0.04   0.02
    56   6     0.03   0.01  -0.01     0.04   0.02  -0.04    -0.09  -0.02   0.06
    57   6     0.04  -0.02   0.01     0.02   0.01  -0.06    -0.06   0.00   0.09
    58   6    -0.02  -0.04   0.02    -0.03  -0.02  -0.02     0.08   0.06   0.04
    59   6    -0.05  -0.01   0.01    -0.03  -0.03   0.01     0.09   0.06  -0.01
    60   6    -0.06   0.02  -0.01    -0.01  -0.02   0.04     0.07   0.03  -0.06
    61   6    -0.05   0.03  -0.02     0.00  -0.01   0.03     0.04   0.01  -0.05
    62   8    -0.04   0.02  -0.01     0.00   0.00  -0.01     0.01  -0.02  -0.01
    63  15    -0.03  -0.01  -0.02     0.00   0.02   0.00    -0.00  -0.02  -0.03
    64   8    -0.02  -0.05  -0.03    -0.02   0.07   0.02     0.02  -0.06  -0.05
    65   8    -0.07  -0.02  -0.03     0.03   0.02   0.02    -0.02  -0.00  -0.07
    66   6    -0.01  -0.09  -0.01    -0.09  -0.06   0.07     0.07  -0.02  -0.06
    67   6     0.03  -0.12   0.04    -0.06  -0.09   0.23     0.12  -0.05  -0.11
    68   6    -0.00  -0.01  -0.02    -0.00   0.02   0.03     0.07   0.00  -0.10
    69   6    -0.03   0.00   0.23     0.02   0.00  -0.14     0.08  -0.04  -0.01
    70   1     0.03   0.06  -0.02     0.01   0.03   0.03    -0.01   0.02  -0.04
    71   1     0.05   0.02   0.02     0.01  -0.02  -0.09     0.00  -0.02  -0.09
    72   1     0.06   0.04  -0.00     0.01  -0.00  -0.09     0.01  -0.01  -0.14
    73   1    -0.00   0.07   0.00    -0.02   0.01   0.09    -0.03   0.01   0.06
    74   1    -0.04   0.05  -0.01    -0.05   0.00   0.10    -0.06  -0.01   0.09
    75   1    -0.02   0.03  -0.03    -0.03  -0.00   0.04    -0.04  -0.01   0.04
    76   1    -0.03  -0.04  -0.03     0.01   0.02   0.02     0.01   0.02   0.02
    77   1    -0.01  -0.06  -0.02     0.01   0.01  -0.01     0.01   0.05   0.08
    78   1     0.03  -0.02   0.02    -0.02  -0.03  -0.10     0.02   0.05   0.10
    79   1     0.04  -0.10  -0.04     0.06  -0.02  -0.07     0.04  -0.02  -0.07
    80   1    -0.00  -0.10  -0.05     0.10   0.01  -0.04     0.07  -0.00  -0.03
    81   1    -0.06  -0.02  -0.02     0.07   0.04   0.06     0.04   0.03   0.05
    82   1    -0.07   0.06   0.01     0.00   0.05   0.12    -0.01   0.04   0.11
    83   1     0.00   0.10   0.03    -0.09  -0.00   0.08    -0.10  -0.01   0.07
    84   1     0.07   0.04   0.02    -0.08  -0.05  -0.01    -0.09  -0.05  -0.01
    85   1     0.10  -0.05  -0.01    -0.03  -0.07  -0.10    -0.04  -0.07  -0.09
    86   1     0.08  -0.08  -0.02     0.02  -0.05  -0.10     0.00  -0.05  -0.09
    87   1    -0.05  -0.11   0.06    -0.02  -0.03   0.02    -0.04  -0.01   0.07
    88   1    -0.00  -0.12   0.05     0.00  -0.02  -0.00    -0.06   0.02   0.04
    89   1     0.07  -0.04  -0.00     0.02   0.01  -0.04    -0.05   0.05  -0.05
    90   1     0.09   0.05  -0.05     0.03   0.03  -0.05    -0.02   0.05  -0.11
    91   1     0.02   0.10  -0.04     0.02   0.01  -0.03     0.05  -0.02  -0.10
    92   1    -0.05   0.06  -0.01    -0.01  -0.03   0.01     0.05  -0.07  -0.01
    93   1    -0.10  -0.03   0.04    -0.03  -0.06   0.06     0.02  -0.09   0.08
    94   1    -0.08  -0.08   0.05    -0.03  -0.05   0.05    -0.01  -0.05   0.09
    95   1    -0.03   0.06  -0.03     0.04   0.02   0.02    -0.05  -0.04  -0.05
    96   1     0.01   0.06  -0.04     0.06   0.03  -0.00    -0.12  -0.06  -0.01
    97   1     0.05   0.01  -0.01     0.05   0.03  -0.05    -0.12  -0.03   0.08
    98   1     0.06  -0.04   0.02     0.02   0.01  -0.08    -0.06   0.02   0.13
    99   1    -0.01  -0.06   0.03    -0.04  -0.03  -0.04     0.09   0.08   0.07
   100   1    -0.06  -0.02   0.01    -0.04  -0.04   0.02     0.12   0.08  -0.02
   101   1    -0.08   0.03  -0.02    -0.01  -0.02   0.06     0.09   0.03  -0.09
   102   1    -0.06   0.05  -0.03     0.01  -0.00   0.05     0.02  -0.01  -0.08
   103   1    -0.00  -0.07  -0.00    -0.09  -0.04   0.02     0.08   0.02  -0.04
   104   1    -0.03  -0.13  -0.03    -0.16  -0.13   0.02     0.05  -0.02  -0.05
   105   1     0.04  -0.15   0.05    -0.12  -0.18   0.26     0.16  -0.02  -0.12
   106   1     0.02  -0.14   0.04    -0.05  -0.11   0.29     0.11  -0.09  -0.13
   107   1     0.05  -0.09   0.06     0.01  -0.03   0.27     0.13  -0.05  -0.12
   108   1    -0.11  -0.04  -0.15     0.08   0.04   0.12     0.03   0.03  -0.18
   109   1     0.18   0.03  -0.09    -0.13   0.01   0.07     0.15   0.00  -0.13
   110   1     0.03   0.02   0.24    -0.01  -0.00  -0.13     0.15  -0.04  -0.03
   111   1     0.07   0.04   0.35    -0.05  -0.02  -0.22     0.12  -0.07   0.07
   112   1    -0.21  -0.04   0.29     0.15   0.02  -0.18    -0.00  -0.04   0.02
   113  17     0.02   0.01  -0.00     0.06   0.05  -0.00     0.01   0.01   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --     49.4679                57.4335                60.0056
 Red. masses --      3.7505                 5.3131                 2.5563
 Frc consts  --      0.0054                 0.0103                 0.0054
 IR Inten    --      0.7387                 1.5964                 0.2651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.00   0.03  -0.09    -0.00  -0.00   0.03
     2   6     0.02   0.03   0.01    -0.01   0.03  -0.07    -0.00  -0.01   0.02
     3   6     0.01   0.02   0.01    -0.01   0.03  -0.01    -0.00  -0.00  -0.00
     4   6     0.02   0.01   0.01    -0.01   0.02   0.03    -0.00  -0.00  -0.01
     5   6     0.03   0.01   0.03     0.00   0.02   0.00    -0.01  -0.00   0.00
     6   6     0.04   0.02   0.04     0.00   0.02  -0.06    -0.01  -0.00   0.02
     7   6    -0.00   0.02  -0.00    -0.00   0.02   0.00    -0.01  -0.00  -0.01
     8   6    -0.01   0.00  -0.01    -0.01   0.03   0.05    -0.01  -0.00  -0.01
     9   6    -0.00  -0.02  -0.02    -0.02   0.03   0.11    -0.00  -0.01  -0.03
    10   6     0.01  -0.01   0.00    -0.01   0.02   0.07    -0.00  -0.01  -0.02
    11   6    -0.02   0.03   0.01     0.02   0.02  -0.05    -0.01   0.00  -0.02
    12   6    -0.04   0.03   0.02     0.03   0.02  -0.04    -0.01   0.00  -0.03
    13   6    -0.05   0.02   0.01     0.03   0.02  -0.00    -0.01  -0.00  -0.02
    14   6    -0.03   0.00  -0.01     0.01   0.03   0.05    -0.01  -0.00  -0.02
    15   7    -0.01  -0.02  -0.02    -0.01   0.02   0.10    -0.01  -0.01  -0.02
    16   6    -0.00  -0.02  -0.00    -0.02  -0.00   0.04    -0.01  -0.01  -0.01
    17   6     0.01  -0.02   0.00    -0.02  -0.01   0.03    -0.00  -0.01  -0.01
    18   7     0.01  -0.01   0.01    -0.01   0.00   0.05    -0.00  -0.01  -0.02
    19   6    -0.01  -0.03  -0.00    -0.03  -0.02   0.01    -0.01  -0.00   0.01
    20   6    -0.00  -0.03   0.01    -0.03  -0.04  -0.03    -0.00  -0.00   0.02
    21   6     0.01  -0.03   0.01    -0.04  -0.04  -0.04     0.00  -0.00   0.02
    22   6     0.01  -0.02   0.01    -0.03  -0.03  -0.01     0.00  -0.01   0.00
    23   7     0.04   0.03   0.01     0.01   0.05  -0.10    -0.01  -0.01   0.03
    24   7    -0.05   0.04   0.03     0.04  -0.00  -0.06    -0.01   0.00  -0.02
    25   7     0.01  -0.03   0.02    -0.05  -0.03  -0.05     0.01  -0.01   0.03
    26   6    -0.03   0.03   0.02     0.05   0.01  -0.03    -0.00   0.00  -0.02
    27   6    -0.01  -0.01  -0.01     0.03   0.02   0.00    -0.01  -0.00  -0.01
    28   6    -0.01  -0.01  -0.01     0.01   0.01  -0.00    -0.01  -0.01  -0.01
    29   6    -0.04   0.02   0.02     0.02   0.00  -0.04    -0.02  -0.00  -0.02
    30   6     0.01   0.03   0.01     0.01   0.02  -0.07    -0.01  -0.00   0.02
    31   6     0.00  -0.00   0.01    -0.01   0.00  -0.00    -0.00   0.00   0.00
    32   6     0.02  -0.02   0.01    -0.03   0.02  -0.00     0.00  -0.00   0.00
    33   6     0.04   0.00   0.01    -0.02   0.04  -0.06    -0.00  -0.01   0.02
    34   6    -0.00  -0.02   0.02    -0.06  -0.04  -0.02     0.00  -0.00   0.02
    35   6    -0.01  -0.01  -0.00    -0.04  -0.02   0.01    -0.00  -0.00   0.00
    36   6    -0.01  -0.00  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
    37   6     0.01  -0.02   0.01    -0.02  -0.02  -0.03    -0.00  -0.01   0.02
    38   6     0.01  -0.04  -0.03    -0.02   0.02   0.03    -0.02  -0.01  -0.01
    39   6    -0.01  -0.04  -0.03    -0.03   0.01   0.02    -0.03  -0.02  -0.01
    40   6    -0.03  -0.00  -0.00    -0.02   0.00  -0.02    -0.03  -0.01  -0.02
    41   6    -0.05   0.03   0.02     0.00  -0.00  -0.05    -0.02  -0.01  -0.03
    42   6    -0.03   0.04   0.03     0.07   0.02  -0.03     0.00   0.01  -0.01
    43   6    -0.01   0.01   0.01     0.07   0.03  -0.00     0.01   0.01  -0.00
    44   6     0.02  -0.03  -0.02     0.05   0.03   0.03     0.00   0.01   0.01
    45   6     0.02  -0.04  -0.03     0.03   0.03   0.03    -0.01   0.00   0.00
    46   6     0.02  -0.05   0.01    -0.05   0.01   0.05     0.01   0.00  -0.01
    47   6     0.04  -0.06   0.01    -0.07   0.03   0.04     0.01  -0.01  -0.01
    48   6     0.06  -0.03   0.01    -0.06   0.05  -0.03     0.01  -0.01   0.01
    49   6     0.07  -0.00   0.01    -0.04   0.06  -0.08     0.01  -0.01   0.03
    50   6     0.00   0.05   0.00     0.03   0.01  -0.08    -0.02   0.00   0.03
    51   6    -0.02   0.04   0.00     0.03  -0.02  -0.03    -0.02   0.01   0.01
    52   6    -0.04   0.01   0.00     0.01  -0.04   0.03    -0.01   0.02  -0.01
    53   6    -0.03  -0.01   0.01    -0.01  -0.03   0.05    -0.01   0.01  -0.02
    54   6    -0.01   0.01  -0.02     0.00  -0.00   0.02    -0.02   0.00  -0.01
    55   6    -0.01   0.01  -0.02     0.02   0.00   0.01    -0.02  -0.00  -0.00
    56   6     0.01  -0.01  -0.00     0.02  -0.01  -0.02    -0.01  -0.01   0.01
    57   6     0.02  -0.02   0.01    -0.00  -0.02  -0.04    -0.00  -0.01   0.02
    58   6    -0.00  -0.03   0.02    -0.08  -0.05  -0.02     0.01  -0.00   0.02
    59   6    -0.02  -0.02   0.01    -0.09  -0.05   0.02     0.01  -0.00   0.01
    60   6    -0.03  -0.00  -0.00    -0.08  -0.03   0.04    -0.00   0.00  -0.01
    61   6    -0.03   0.01  -0.01    -0.05  -0.02   0.04    -0.01   0.00  -0.01
    62   8    -0.02  -0.04  -0.03     0.03  -0.01   0.09    -0.03   0.01  -0.02
    63  15    -0.01  -0.01  -0.00     0.02   0.00   0.06    -0.02   0.01   0.00
    64   8    -0.03   0.02   0.01     0.05  -0.04   0.03    -0.03   0.04   0.01
    65   8     0.03  -0.01   0.02    -0.01   0.02   0.02     0.01  -0.00   0.03
    66   6    -0.05   0.13  -0.03     0.10  -0.05   0.04    -0.04   0.09  -0.01
    67   6    -0.10   0.17  -0.14     0.11  -0.05   0.02     0.26  -0.10   0.03
    68   6     0.09   0.01   0.04     0.08   0.02  -0.02     0.01   0.01   0.07
    69   6     0.17  -0.09  -0.12     0.16  -0.08  -0.13     0.05  -0.03  -0.04
    70   1     0.02   0.04   0.01    -0.02   0.03  -0.10    -0.00  -0.01   0.02
    71   1     0.04  -0.00   0.04     0.01   0.01   0.03    -0.01  -0.00  -0.00
    72   1     0.06   0.02   0.05     0.01   0.02  -0.08    -0.01  -0.00   0.03
    73   1    -0.01   0.04   0.02     0.02   0.02  -0.08    -0.00   0.00  -0.02
    74   1    -0.06   0.02   0.02     0.04   0.02   0.00    -0.01   0.00  -0.03
    75   1    -0.04  -0.01  -0.01     0.01   0.03   0.09    -0.01  -0.01  -0.02
    76   1    -0.01  -0.03  -0.00    -0.02  -0.01   0.02    -0.01  -0.00   0.01
    77   1    -0.00  -0.04   0.01    -0.04  -0.05  -0.05     0.00   0.00   0.04
    78   1     0.02  -0.02   0.02    -0.04  -0.03  -0.02     0.01  -0.01  -0.00
    79   1     0.03  -0.07  -0.05    -0.03   0.03   0.05    -0.02  -0.01   0.00
    80   1     0.01  -0.06  -0.05    -0.06   0.02   0.04    -0.04  -0.02  -0.01
    81   1    -0.04   0.00   0.00    -0.04  -0.00  -0.03    -0.04  -0.01  -0.02
    82   1    -0.07   0.06   0.04     0.01  -0.01  -0.07    -0.03  -0.00  -0.03
    83   1    -0.05   0.06   0.05     0.08   0.02  -0.06     0.01   0.01  -0.02
    84   1    -0.01   0.02   0.01     0.09   0.04  -0.00     0.01   0.02  -0.00
    85   1     0.03  -0.05  -0.04     0.05   0.04   0.05     0.00   0.01   0.01
    86   1     0.04  -0.06  -0.05     0.02   0.03   0.06    -0.01  -0.00   0.01
    87   1    -0.00  -0.07   0.01    -0.06  -0.01   0.10     0.01   0.01  -0.03
    88   1     0.04  -0.08   0.02    -0.09   0.02   0.08     0.02  -0.00  -0.02
    89   1     0.08  -0.04   0.01    -0.08   0.07  -0.04     0.02  -0.02   0.01
    90   1     0.09   0.02   0.00    -0.03   0.08  -0.13     0.00  -0.02   0.04
    91   1     0.01   0.07   0.00     0.05   0.03  -0.13    -0.02   0.00   0.04
    92   1    -0.03   0.06   0.00     0.05  -0.03  -0.04    -0.02   0.02   0.01
    93   1    -0.06   0.01   0.00     0.01  -0.06   0.07    -0.01   0.03  -0.02
    94   1    -0.04  -0.03   0.01    -0.02  -0.04   0.09    -0.00   0.02  -0.03
    95   1    -0.03   0.03  -0.03     0.01   0.00   0.05    -0.02   0.00  -0.02
    96   1    -0.01   0.02  -0.03     0.04   0.01   0.03    -0.03   0.00  -0.01
    97   1     0.02  -0.01   0.00     0.04  -0.00  -0.03    -0.02  -0.01   0.02
    98   1     0.03  -0.04   0.02    -0.00  -0.02  -0.07     0.00  -0.01   0.04
    99   1     0.01  -0.05   0.03    -0.09  -0.06  -0.04     0.02  -0.01   0.03
   100   1    -0.02  -0.02   0.02    -0.11  -0.06   0.02     0.01  -0.00   0.01
   101   1    -0.04   0.01  -0.01    -0.09  -0.03   0.07    -0.01   0.01  -0.02
   102   1    -0.04   0.02  -0.02    -0.04  -0.01   0.06    -0.01   0.01  -0.02
   103   1    -0.05   0.09  -0.03     0.11  -0.05   0.09    -0.01   0.35  -0.11
   104   1    -0.01   0.20   0.02     0.13  -0.05   0.03    -0.29   0.02   0.04
   105   1    -0.11   0.25  -0.17     0.16  -0.06   0.02     0.25  -0.05   0.02
   106   1    -0.10   0.20  -0.14     0.10  -0.06  -0.03     0.24  -0.35   0.13
   107   1    -0.15   0.10  -0.19     0.09  -0.05   0.04     0.50  -0.02  -0.02
   108   1     0.19   0.08   0.13     0.16   0.12   0.02     0.08   0.04   0.15
   109   1    -0.04   0.03   0.08     0.01   0.01   0.01    -0.09   0.03   0.10
   110   1     0.21  -0.08  -0.11     0.22  -0.08  -0.16     0.05  -0.02  -0.01
   111   1     0.07  -0.16  -0.21     0.09  -0.17  -0.17    -0.02  -0.05  -0.12
   112   1     0.30  -0.10  -0.16     0.24  -0.06  -0.16     0.15  -0.05  -0.07
   113  17    -0.02  -0.01   0.01    -0.06  -0.03   0.03     0.04   0.03  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --     74.4731                83.0968                85.3933
 Red. masses --      5.4844                 5.4224                 3.8251
 Frc consts  --      0.0179                 0.0221                 0.0164
 IR Inten    --      0.6857                 6.0986                 0.5443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03    -0.04  -0.01  -0.04    -0.03  -0.00   0.01
     2   6    -0.01  -0.00   0.07    -0.01  -0.01  -0.03    -0.01  -0.01  -0.01
     3   6    -0.00   0.01   0.02     0.01   0.01   0.02     0.00   0.01  -0.03
     4   6    -0.01   0.01  -0.06     0.01   0.03   0.05     0.00   0.01  -0.03
     5   6    -0.03   0.00  -0.10    -0.02   0.03   0.04    -0.02   0.02  -0.01
     6   6    -0.04  -0.00  -0.05    -0.04   0.01  -0.01    -0.03   0.01   0.01
     7   6     0.00   0.01   0.04     0.02   0.01   0.02     0.00   0.01  -0.03
     8   6     0.01   0.02   0.02     0.03   0.02  -0.03    -0.01   0.01  -0.00
     9   6     0.00   0.04   0.01     0.02  -0.00  -0.05     0.00   0.01  -0.02
    10   6    -0.00   0.01  -0.07     0.02   0.05   0.07     0.01   0.02  -0.03
    11   6     0.01  -0.01   0.05     0.01  -0.01   0.06     0.00   0.01  -0.04
    12   6     0.04  -0.01   0.02     0.03  -0.00   0.04    -0.01   0.01  -0.01
    13   6     0.06   0.01  -0.02     0.05   0.01  -0.03    -0.02  -0.00   0.04
    14   6     0.05   0.03  -0.02     0.05   0.02  -0.07    -0.02  -0.00   0.04
    15   7    -0.01   0.04   0.04    -0.01  -0.01  -0.05    -0.01  -0.00  -0.03
    16   6    -0.00   0.01   0.04    -0.00  -0.01  -0.03    -0.01  -0.01  -0.05
    17   6    -0.01  -0.03  -0.07     0.03   0.05   0.09     0.02   0.01   0.01
    18   7    -0.01  -0.04  -0.13     0.05   0.08   0.15     0.02   0.02   0.01
    19   6     0.00   0.03   0.13    -0.04  -0.07  -0.13    -0.03  -0.05  -0.10
    20   6     0.01   0.00   0.12    -0.03  -0.08  -0.13    -0.01  -0.06  -0.05
    21   6     0.00  -0.05   0.01     0.01  -0.03  -0.01     0.03  -0.02   0.03
    22   6    -0.00  -0.07  -0.09     0.04   0.04   0.10     0.04   0.01   0.06
    23   7    -0.04  -0.02   0.06    -0.05  -0.02  -0.04    -0.04  -0.02   0.03
    24   7     0.05  -0.02   0.01     0.03   0.00   0.05    -0.01   0.01  -0.01
    25   7     0.01  -0.06   0.02     0.02  -0.04  -0.00     0.05  -0.04   0.07
    26   6     0.04  -0.01   0.01     0.03   0.00   0.04    -0.01   0.00  -0.01
    27   6     0.03   0.02   0.02     0.03   0.01   0.03    -0.01  -0.00  -0.01
    28   6     0.04   0.02   0.02     0.05   0.02   0.03    -0.01  -0.01  -0.01
    29   6     0.06  -0.00   0.02     0.05   0.01   0.04    -0.02   0.00  -0.01
    30   6    -0.04  -0.01   0.04    -0.03  -0.02  -0.03    -0.04  -0.01   0.02
    31   6    -0.02   0.01   0.00    -0.01   0.01  -0.03    -0.02   0.02  -0.01
    32   6    -0.01   0.01  -0.00    -0.03   0.02  -0.03    -0.02   0.02  -0.01
    33   6    -0.03  -0.01   0.03    -0.06   0.00  -0.03    -0.04  -0.01   0.02
    34   6    -0.01  -0.05   0.02     0.00  -0.03  -0.00     0.04  -0.03   0.04
    35   6    -0.03  -0.02  -0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.02
    36   6    -0.02  -0.01  -0.01     0.01  -0.01  -0.02    -0.00   0.00  -0.01
    37   6     0.01  -0.04   0.01     0.02  -0.03  -0.01     0.03  -0.03   0.04
    38   6     0.05   0.04   0.03     0.07   0.04   0.01    -0.02  -0.01  -0.01
    39   6     0.07   0.04   0.03     0.09   0.04   0.02    -0.03  -0.01  -0.01
    40   6     0.09   0.01   0.02     0.10   0.02   0.04    -0.04  -0.00  -0.01
    41   6     0.09  -0.01   0.02     0.08   0.01   0.05    -0.03   0.00  -0.01
    42   6     0.05  -0.02   0.00     0.03  -0.01   0.03    -0.01   0.01  -0.00
    43   6     0.04  -0.01   0.01     0.02  -0.01   0.02    -0.01   0.01  -0.00
    44   6     0.02   0.02   0.02     0.02   0.00   0.01    -0.00  -0.00  -0.01
    45   6     0.02   0.03   0.03     0.03   0.01   0.02    -0.00  -0.01  -0.01
    46   6     0.01   0.03  -0.04    -0.04   0.06  -0.01    -0.01   0.04  -0.03
    47   6     0.01   0.02  -0.03    -0.08   0.06   0.00    -0.03   0.03  -0.01
    48   6    -0.01  -0.01   0.01    -0.12   0.03   0.00    -0.05  -0.00   0.03
    49   6    -0.02  -0.02   0.05    -0.11   0.00  -0.02    -0.06  -0.02   0.04
    50   6    -0.05  -0.02   0.05    -0.02  -0.06  -0.02    -0.05  -0.03   0.04
    51   6    -0.04  -0.00   0.03    -0.00  -0.06  -0.00    -0.04  -0.01   0.03
    52   6    -0.03   0.02  -0.00     0.02  -0.03  -0.00    -0.02   0.02  -0.01
    53   6    -0.01   0.03  -0.02     0.01   0.01  -0.02    -0.01   0.03  -0.03
    54   6    -0.03   0.02  -0.04     0.02   0.01  -0.01    -0.02   0.02  -0.04
    55   6    -0.01   0.01  -0.03     0.05   0.01  -0.01    -0.00   0.00  -0.01
    56   6     0.02  -0.03   0.01     0.06  -0.02  -0.01     0.04  -0.04   0.05
    57   6     0.03  -0.05   0.03     0.05  -0.03  -0.01     0.06  -0.05   0.08
    58   6    -0.02  -0.08   0.05     0.01  -0.05   0.01     0.07  -0.05   0.07
    59   6    -0.04  -0.07   0.05    -0.01  -0.04   0.01     0.05  -0.03   0.04
    60   6    -0.06  -0.03   0.03    -0.03  -0.01  -0.02    -0.00   0.01  -0.04
    61   6    -0.06   0.00   0.00    -0.03   0.00  -0.03    -0.02   0.03  -0.06
    62   8    -0.07   0.05  -0.01    -0.07  -0.03  -0.10     0.05   0.07   0.08
    63  15    -0.06   0.00  -0.01    -0.04  -0.01  -0.05     0.02   0.04   0.00
    64   8    -0.05  -0.10   0.01    -0.09   0.03  -0.01     0.08   0.05  -0.06
    65   8    -0.09   0.04  -0.06     0.00  -0.02  -0.01    -0.04  -0.01   0.01
    66   6    -0.02  -0.02  -0.02    -0.14   0.08  -0.04     0.13  -0.10   0.01
    67   6    -0.03  -0.01  -0.11    -0.02   0.00  -0.02    -0.04  -0.00   0.06
    68   6     0.04   0.03  -0.14    -0.00  -0.01   0.03    -0.00   0.02   0.06
    69   6     0.07  -0.03  -0.04     0.01  -0.02   0.03     0.06  -0.05  -0.04
    70   1     0.00  -0.01   0.12    -0.01  -0.03  -0.05     0.00  -0.03  -0.01
    71   1    -0.04   0.01  -0.16    -0.03   0.05   0.06    -0.03   0.04  -0.01
    72   1    -0.05  -0.00  -0.07    -0.05   0.01  -0.02    -0.04   0.01   0.03
    73   1    -0.01  -0.03   0.07    -0.01  -0.03   0.09     0.01   0.02  -0.07
    74   1     0.08   0.02  -0.06     0.05   0.02  -0.06    -0.03  -0.01   0.07
    75   1     0.07   0.05  -0.06     0.07   0.04  -0.13    -0.03  -0.01   0.07
    76   1     0.01   0.07   0.23    -0.08  -0.11  -0.22    -0.07  -0.08  -0.16
    77   1     0.02   0.02   0.20    -0.06  -0.13  -0.21    -0.03  -0.09  -0.08
    78   1     0.01  -0.10  -0.16     0.07   0.08   0.18     0.07   0.03   0.10
    79   1     0.03   0.07   0.03     0.06   0.05  -0.01    -0.01  -0.02  -0.00
    80   1     0.07   0.06   0.03     0.11   0.04   0.01    -0.04  -0.01  -0.00
    81   1     0.11   0.01   0.02     0.12   0.02   0.04    -0.05   0.00  -0.01
    82   1     0.10  -0.03   0.02     0.09  -0.00   0.07    -0.04   0.01  -0.02
    83   1     0.06  -0.04  -0.01     0.03  -0.02   0.03    -0.02   0.02   0.00
    84   1     0.04  -0.02   0.00     0.02  -0.02   0.01    -0.01   0.01   0.00
    85   1     0.01   0.03   0.03     0.02   0.01   0.01     0.00  -0.00  -0.01
    86   1     0.01   0.05   0.04     0.03   0.02   0.02     0.00  -0.01  -0.02
    87   1     0.02   0.05  -0.07    -0.02   0.08  -0.00     0.01   0.07  -0.05
    88   1     0.03   0.04  -0.06    -0.09   0.08   0.02    -0.02   0.05  -0.02
    89   1    -0.01  -0.02   0.02    -0.15   0.03   0.02    -0.07  -0.01   0.04
    90   1    -0.04  -0.05   0.08    -0.14  -0.03  -0.02    -0.08  -0.05   0.06
    91   1    -0.06  -0.03   0.07    -0.04  -0.09  -0.02    -0.07  -0.05   0.07
    92   1    -0.05  -0.01   0.04     0.00  -0.09   0.01    -0.05  -0.03   0.04
    93   1    -0.02   0.03  -0.02     0.03  -0.03   0.01    -0.01   0.03  -0.03
    94   1    -0.00   0.04  -0.05     0.02   0.03  -0.01     0.01   0.05  -0.06
    95   1    -0.05   0.04  -0.06     0.00   0.03  -0.01    -0.05   0.05  -0.09
    96   1    -0.02   0.03  -0.05     0.05   0.02  -0.01    -0.01   0.02  -0.03
    97   1     0.05  -0.04   0.02     0.08  -0.02  -0.00     0.06  -0.05   0.08
    98   1     0.06  -0.08   0.06     0.07  -0.05  -0.01     0.09  -0.08   0.12
    99   1    -0.00  -0.12   0.06     0.02  -0.07   0.03     0.10  -0.08   0.13
   100   1    -0.04  -0.09   0.07    -0.01  -0.05   0.02     0.07  -0.04   0.06
   101   1    -0.08  -0.01   0.03    -0.04   0.00  -0.02    -0.02   0.03  -0.07
   102   1    -0.07   0.04  -0.02    -0.04   0.02  -0.04    -0.06   0.06  -0.11
   103   1    -0.01  -0.03   0.00    -0.14   0.20  -0.14     0.12  -0.28   0.12
   104   1     0.01   0.02   0.02    -0.28   0.07   0.01     0.30  -0.12  -0.10
   105   1     0.00   0.05  -0.13    -0.07   0.05  -0.04     0.00  -0.13   0.11
   106   1    -0.03  -0.01  -0.14    -0.02  -0.12   0.08    -0.04   0.17  -0.05
   107   1    -0.06  -0.05  -0.14     0.12   0.02  -0.09    -0.22   0.01   0.18
   108   1    -0.01   0.09  -0.25     0.01  -0.02   0.05     0.08   0.06   0.15
   109   1     0.15   0.01  -0.18    -0.02   0.03   0.03    -0.11   0.06   0.09
   110   1     0.17  -0.04  -0.11     0.01  -0.01   0.06     0.08  -0.03   0.01
   111   1     0.11  -0.10   0.06    -0.01  -0.01  -0.00    -0.02  -0.08  -0.13
   112   1    -0.04  -0.01  -0.01     0.03  -0.06   0.03     0.16  -0.09  -0.07
   113  17     0.02   0.12  -0.04     0.01  -0.01   0.07     0.05   0.04  -0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --     93.7783                96.2350               105.5676
 Red. masses --      5.0071                 5.9494                 4.8773
 Frc consts  --      0.0259                 0.0325                 0.0320
 IR Inten    --      0.0995                 4.3689                12.0849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04  -0.02     0.01  -0.00   0.00     0.00  -0.01  -0.00
     2   6     0.00  -0.03   0.06    -0.01   0.00   0.06    -0.01  -0.01  -0.02
     3   6     0.01  -0.01   0.07    -0.02  -0.01   0.06    -0.00  -0.01   0.01
     4   6     0.00  -0.01   0.01    -0.02  -0.02   0.01    -0.00  -0.01   0.05
     5   6    -0.02  -0.02  -0.07    -0.00  -0.03  -0.05     0.01  -0.01   0.07
     6   6    -0.03  -0.03  -0.09     0.01  -0.02  -0.05     0.01  -0.01   0.05
     7   6     0.01  -0.00   0.06    -0.02  -0.01   0.07    -0.01  -0.01   0.01
     8   6     0.00  -0.01   0.04    -0.01  -0.00   0.05    -0.01  -0.01   0.06
     9   6     0.01  -0.01   0.03     0.00  -0.02  -0.02     0.01  -0.02  -0.02
    10   6     0.00  -0.02   0.02    -0.02  -0.02  -0.00    -0.01  -0.01   0.03
    11   6     0.01   0.04   0.03    -0.01  -0.01   0.04    -0.00  -0.00  -0.04
    12   6    -0.01   0.05  -0.03     0.02  -0.00  -0.02    -0.02  -0.00  -0.02
    13   6    -0.02   0.03  -0.04     0.02   0.01  -0.03    -0.03  -0.01   0.06
    14   6    -0.01  -0.00  -0.00     0.01   0.00   0.00    -0.04  -0.02   0.09
    15   7     0.01  -0.01   0.02    -0.02  -0.04  -0.06    -0.00   0.01  -0.01
    16   6     0.01  -0.01   0.02    -0.03  -0.03  -0.05     0.00   0.01   0.01
    17   6    -0.00  -0.02  -0.00    -0.03  -0.00   0.01    -0.00   0.01   0.01
    18   7    -0.00  -0.02  -0.01    -0.02  -0.00   0.01    -0.00   0.01   0.04
    19   6     0.02   0.01   0.04    -0.04  -0.04  -0.09     0.00   0.02   0.02
    20   6     0.02   0.02   0.03    -0.04  -0.02  -0.06    -0.00   0.01   0.00
    21   6    -0.00   0.00  -0.00    -0.03   0.02   0.02    -0.01   0.00  -0.02
    22   6    -0.01  -0.01  -0.02    -0.03   0.02   0.04    -0.01   0.01  -0.00
    23   7    -0.03  -0.06  -0.02     0.02   0.01  -0.01     0.01  -0.00  -0.02
    24   7    -0.02   0.08  -0.03     0.04  -0.02  -0.05    -0.01  -0.01  -0.05
    25   7    -0.01   0.01  -0.02    -0.04   0.03   0.03    -0.01  -0.01  -0.03
    26   6     0.01   0.08  -0.02     0.04  -0.01  -0.03    -0.01  -0.01  -0.04
    27   6     0.05  -0.01  -0.06     0.01   0.02   0.01    -0.03   0.00  -0.01
    28   6     0.03  -0.02  -0.07     0.00   0.02   0.01    -0.04  -0.00  -0.01
    29   6    -0.03   0.06  -0.04     0.02  -0.01  -0.03    -0.03  -0.01  -0.04
    30   6    -0.01  -0.06  -0.02     0.02   0.01  -0.00     0.01  -0.01  -0.02
    31   6     0.03  -0.01  -0.05     0.00  -0.02   0.02     0.01  -0.01  -0.00
    32   6     0.01   0.01  -0.06     0.01  -0.02   0.02     0.00  -0.01  -0.00
    33   6    -0.03  -0.04  -0.02     0.02   0.00  -0.00     0.00  -0.00  -0.02
    34   6    -0.01   0.01  -0.01    -0.03   0.03   0.03    -0.02  -0.01  -0.02
    35   6     0.01  -0.00   0.01    -0.00  -0.02   0.06    -0.04   0.02  -0.05
    36   6     0.01  -0.00   0.01    -0.02  -0.03   0.07    -0.03   0.02  -0.05
    37   6    -0.01   0.01  -0.01    -0.05   0.02   0.04    -0.01  -0.01  -0.02
    38   6     0.02  -0.06  -0.07    -0.02   0.03   0.03    -0.06  -0.02   0.01
    39   6    -0.06  -0.01  -0.03    -0.00   0.00  -0.00    -0.07  -0.04  -0.02
    40   6    -0.13   0.09   0.02     0.03  -0.04  -0.05    -0.06  -0.05  -0.06
    41   6    -0.11   0.12   0.01     0.04  -0.04  -0.06    -0.04  -0.04  -0.07
    42   6    -0.00   0.17   0.04     0.08  -0.02  -0.06     0.00  -0.03  -0.05
    43   6     0.02   0.16   0.07     0.08  -0.01  -0.03    -0.00  -0.02  -0.04
    44   6     0.07   0.06   0.03     0.03   0.03   0.03    -0.02   0.00  -0.01
    45   6     0.09  -0.03  -0.04     0.00   0.04   0.05    -0.04   0.01   0.00
    46   6     0.02   0.04  -0.07     0.01  -0.03   0.02    -0.00  -0.01   0.01
    47   6    -0.03   0.00  -0.02     0.03  -0.01  -0.01    -0.01  -0.01   0.01
    48   6    -0.08  -0.06   0.04     0.05   0.01  -0.04    -0.00   0.00  -0.01
    49   6    -0.08  -0.08   0.04     0.05   0.02  -0.03     0.00   0.00  -0.02
    50   6    -0.01  -0.13   0.03     0.04   0.03  -0.03     0.02  -0.01  -0.02
    51   6     0.01  -0.13   0.05     0.03   0.02  -0.03     0.03  -0.02  -0.02
    52   6     0.05  -0.07   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.00
    53   6     0.06  -0.00  -0.04    -0.00  -0.03   0.04     0.02  -0.01   0.00
    54   6     0.01  -0.01   0.01    -0.03  -0.06   0.07    -0.02   0.02  -0.04
    55   6    -0.00   0.00  -0.00    -0.09  -0.02   0.03     0.03  -0.02   0.02
    56   6    -0.01   0.01  -0.02    -0.14   0.03  -0.02     0.06  -0.05   0.06
    57   6    -0.02   0.02  -0.02    -0.12   0.05  -0.01     0.04  -0.04   0.03
    58   6    -0.02   0.02  -0.02    -0.05   0.08  -0.03     0.02  -0.06   0.04
    59   6    -0.01   0.01  -0.02    -0.05   0.08  -0.06     0.03  -0.07   0.08
    60   6     0.00  -0.00   0.01    -0.02   0.03  -0.01    -0.00  -0.03   0.03
    61   6     0.01  -0.01   0.02     0.01  -0.02   0.05    -0.04   0.02  -0.03
    62   8     0.00  -0.02  -0.00    -0.03   0.02  -0.00     0.03  -0.05  -0.01
    63  15     0.01  -0.02   0.01    -0.03  -0.02  -0.02     0.03   0.00   0.00
    64   8     0.00  -0.03   0.03    -0.02  -0.00  -0.05     0.00   0.05   0.01
    65   8     0.03  -0.02   0.02    -0.06  -0.06   0.01     0.06   0.06  -0.04
    66   6    -0.00   0.01   0.01     0.00  -0.05  -0.03    -0.05   0.07   0.00
    67   6    -0.02   0.02  -0.02    -0.09   0.01  -0.03    -0.03   0.06   0.03
    68   6    -0.00  -0.02   0.01    -0.03  -0.02   0.09     0.05   0.01  -0.18
    69   6    -0.02   0.00   0.01     0.03  -0.10   0.00    -0.03   0.10  -0.02
    70   1     0.01  -0.03   0.12    -0.01   0.02   0.09    -0.01  -0.01  -0.05
    71   1    -0.02  -0.01  -0.12    -0.00  -0.05  -0.09     0.01  -0.01   0.11
    72   1    -0.05  -0.04  -0.15     0.01  -0.03  -0.10     0.02  -0.01   0.06
    73   1     0.02   0.05   0.05    -0.01  -0.01   0.04     0.02   0.02  -0.09
    74   1    -0.03   0.04  -0.08     0.04   0.02  -0.08    -0.03  -0.02   0.09
    75   1    -0.02  -0.02  -0.01     0.02   0.02  -0.02    -0.06  -0.04   0.12
    76   1     0.04   0.02   0.07    -0.05  -0.07  -0.15     0.01   0.02   0.03
    77   1     0.03   0.03   0.04    -0.04  -0.02  -0.09    -0.00   0.01   0.00
    78   1    -0.02  -0.02  -0.04    -0.03   0.04   0.08    -0.01   0.01  -0.00
    79   1     0.07  -0.13  -0.10    -0.04   0.05   0.06    -0.07  -0.01   0.04
    80   1    -0.07  -0.03  -0.03    -0.01   0.00   0.01    -0.09  -0.05  -0.01
    81   1    -0.19   0.14   0.06     0.04  -0.06  -0.07    -0.06  -0.07  -0.08
    82   1    -0.16   0.20   0.04     0.06  -0.07  -0.09    -0.04  -0.04  -0.11
    83   1    -0.04   0.25   0.07     0.11  -0.05  -0.10     0.01  -0.04  -0.07
    84   1     0.00   0.24   0.13     0.10  -0.02  -0.05     0.01  -0.03  -0.05
    85   1     0.10   0.05   0.05     0.03   0.04   0.05    -0.02   0.01  -0.00
    86   1     0.12  -0.10  -0.06    -0.03   0.07   0.09    -0.05   0.03   0.02
    87   1     0.05   0.08  -0.10    -0.01  -0.05   0.03    -0.01  -0.02   0.03
    88   1    -0.03   0.02  -0.02     0.03  -0.02  -0.02    -0.02  -0.01   0.02
    89   1    -0.12  -0.09   0.09     0.07   0.03  -0.06    -0.01   0.01  -0.02
    90   1    -0.11  -0.13   0.08     0.07   0.04  -0.04     0.01   0.01  -0.04
    91   1    -0.04  -0.18   0.05     0.05   0.05  -0.06     0.02  -0.02  -0.03
    92   1    -0.00  -0.19   0.09     0.05   0.04  -0.05     0.03  -0.02  -0.02
    93   1     0.07  -0.07   0.02     0.01  -0.01   0.02     0.03  -0.01  -0.00
    94   1     0.08   0.05  -0.06    -0.02  -0.05   0.06     0.01  -0.01   0.01
    95   1     0.02  -0.02   0.02     0.01  -0.10   0.09    -0.04   0.04  -0.07
    96   1     0.00  -0.00   0.00    -0.10  -0.04   0.03     0.04  -0.02   0.04
    97   1    -0.02   0.02  -0.03    -0.19   0.06  -0.06     0.11  -0.09   0.11
    98   1    -0.02   0.03  -0.03    -0.16   0.10  -0.04     0.07  -0.07   0.06
    99   1    -0.03   0.03  -0.04    -0.08   0.11  -0.06     0.04  -0.09   0.07
   100   1    -0.02   0.02  -0.03    -0.07   0.12  -0.11     0.06  -0.11   0.13
   101   1     0.01  -0.01   0.01    -0.01   0.03  -0.03     0.01  -0.04   0.06
   102   1     0.02  -0.02   0.03     0.03  -0.06   0.08    -0.05   0.04  -0.06
   103   1    -0.00  -0.00   0.01    -0.00  -0.14   0.03    -0.05   0.10  -0.05
   104   1     0.01   0.03   0.03     0.10  -0.04  -0.06    -0.09   0.07   0.02
   105   1    -0.02   0.05  -0.03    -0.08  -0.02  -0.02    -0.08   0.07   0.02
   106   1    -0.02   0.03  -0.02    -0.09   0.10  -0.08    -0.02   0.04   0.09
   107   1    -0.03  -0.00  -0.04    -0.19  -0.00   0.01     0.02   0.05  -0.00
   108   1    -0.01  -0.04   0.01     0.05   0.00   0.19    -0.09  -0.01  -0.36
   109   1     0.00  -0.03   0.01    -0.14   0.04   0.12     0.24  -0.09  -0.23
   110   1    -0.04  -0.01   0.00     0.05  -0.07   0.07    -0.03   0.05  -0.16
   111   1    -0.01   0.01   0.01    -0.05  -0.12  -0.10     0.11   0.10   0.17
   112   1    -0.02   0.01   0.01     0.14  -0.17  -0.03    -0.23   0.22   0.03
   113  17     0.06   0.00   0.04     0.20   0.10   0.05     0.12   0.10   0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    105.6839               112.9262               115.6510
 Red. masses --      5.7698                 5.0641                 5.4761
 Frc consts  --      0.0380                 0.0380                 0.0432
 IR Inten    --      8.6231                 4.1403                 3.0405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00  -0.01    -0.02  -0.04   0.03    -0.03   0.01  -0.00
     2   6     0.03  -0.01  -0.08    -0.01  -0.04   0.01    -0.01  -0.01  -0.09
     3   6     0.03  -0.00  -0.08    -0.00  -0.03  -0.02     0.00   0.00  -0.04
     4   6     0.03   0.01  -0.02    -0.01  -0.02  -0.02     0.01   0.00   0.05
     5   6     0.04   0.02   0.05    -0.02  -0.02  -0.02     0.00   0.02   0.16
     6   6     0.04   0.02   0.06    -0.03  -0.03   0.00    -0.01   0.02   0.15
     7   6     0.02   0.00  -0.08     0.01  -0.03  -0.02     0.02  -0.00  -0.04
     8   6     0.01   0.00  -0.03     0.01  -0.02  -0.02     0.01  -0.00   0.01
     9   6     0.00   0.01  -0.05     0.00  -0.00  -0.03     0.02  -0.01   0.01
    10   6     0.02   0.02   0.01     0.00   0.00   0.00     0.02  -0.01   0.01
    11   6     0.02   0.01  -0.08     0.02  -0.04  -0.02     0.02  -0.01  -0.06
    12   6    -0.01  -0.01   0.00     0.03  -0.04  -0.02     0.00  -0.02  -0.00
    13   6    -0.03  -0.02   0.08     0.03  -0.04  -0.01    -0.01  -0.02   0.06
    14   6    -0.02  -0.01   0.05     0.03  -0.02  -0.01    -0.01  -0.01   0.05
    15   7    -0.01   0.04   0.03    -0.00   0.02   0.01     0.02  -0.02   0.01
    16   6     0.01   0.02   0.04    -0.00   0.02   0.01     0.03  -0.01   0.04
    17   6     0.03   0.04   0.07     0.01   0.03   0.05     0.02  -0.04  -0.03
    18   7     0.04   0.05   0.08     0.01   0.03   0.06     0.01  -0.03  -0.04
    19   6    -0.01  -0.01  -0.00    -0.02  -0.01  -0.04     0.06   0.03   0.12
    20   6    -0.01  -0.03  -0.03    -0.02  -0.02  -0.05     0.06   0.03   0.10
    21   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.04  -0.01   0.01
    22   6     0.03   0.02   0.06     0.01   0.03   0.05     0.02  -0.05  -0.05
    23   7     0.04  -0.02   0.00    -0.02  -0.06   0.07    -0.04   0.01  -0.03
    24   7    -0.02  -0.01   0.01     0.04  -0.05  -0.04     0.00  -0.02  -0.01
    25   7     0.01  -0.01  -0.01    -0.00  -0.01  -0.01     0.05  -0.01  -0.01
    26   6    -0.02  -0.01   0.01     0.03  -0.04  -0.03    -0.01  -0.02  -0.01
    27   6    -0.02  -0.00   0.00     0.06  -0.08  -0.08     0.00  -0.03  -0.02
    28   6    -0.02  -0.00   0.01     0.06  -0.08  -0.07     0.00  -0.02  -0.02
    29   6    -0.02  -0.01   0.01     0.03  -0.04  -0.03    -0.00  -0.02  -0.01
    30   6     0.04  -0.02  -0.00    -0.01  -0.05   0.06    -0.04   0.02  -0.02
    31   6     0.07   0.01  -0.06    -0.04  -0.08   0.10    -0.05   0.01   0.00
    32   6     0.07   0.01  -0.05    -0.04  -0.08   0.10    -0.05   0.02   0.01
    33   6     0.04  -0.03  -0.00    -0.01  -0.05   0.06    -0.05   0.03  -0.02
    34   6     0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.05  -0.00  -0.01
    35   6     0.04  -0.04   0.05    -0.00  -0.00  -0.01     0.06  -0.01   0.01
    36   6     0.05  -0.03   0.05     0.00  -0.00  -0.00     0.07  -0.00   0.01
    37   6     0.02  -0.01  -0.01     0.00  -0.00  -0.01     0.06   0.00  -0.01
    38   6    -0.02  -0.01   0.01     0.04  -0.04  -0.04    -0.01  -0.02  -0.00
    39   6    -0.02  -0.02   0.00    -0.03   0.06   0.05    -0.03   0.00   0.01
    40   6    -0.01  -0.03  -0.01    -0.07   0.11   0.10    -0.04   0.01   0.02
    41   6    -0.01  -0.02  -0.01    -0.03   0.05   0.05    -0.02  -0.00   0.00
    42   6    -0.03  -0.03  -0.00    -0.05   0.05   0.05    -0.03  -0.01   0.01
    43   6    -0.04  -0.04  -0.02    -0.09   0.10   0.10    -0.05   0.01   0.01
    44   6    -0.03  -0.03  -0.03    -0.05   0.04   0.04    -0.03  -0.00  -0.01
    45   6    -0.03  -0.01  -0.02     0.03  -0.05  -0.05    -0.01  -0.02  -0.03
    46   6     0.06  -0.02  -0.04    -0.01  -0.06   0.05    -0.07   0.04   0.05
    47   6     0.03  -0.08   0.03     0.06   0.03  -0.06    -0.09   0.08   0.02
    48   6     0.01  -0.11   0.09     0.09   0.07  -0.11    -0.09   0.09  -0.03
    49   6     0.02  -0.08   0.06     0.05   0.03  -0.04    -0.08   0.06  -0.05
    50   6     0.00  -0.09   0.07     0.04   0.03  -0.04    -0.04   0.04  -0.03
    51   6     0.00  -0.10   0.08     0.08   0.09  -0.11    -0.04   0.05  -0.04
    52   6     0.04  -0.04   0.01     0.05   0.04  -0.06    -0.05   0.04  -0.03
    53   6     0.08   0.02  -0.06    -0.01  -0.05   0.05    -0.06   0.01  -0.01
    54   6     0.05  -0.02   0.05     0.01   0.00   0.00     0.06   0.03  -0.01
    55   6     0.01   0.03  -0.03     0.02   0.00   0.00     0.05   0.06  -0.06
    56   6    -0.03   0.07  -0.11     0.02   0.00  -0.01     0.05   0.06  -0.08
    57   6    -0.03   0.05  -0.09     0.01  -0.00  -0.02     0.06   0.02  -0.05
    58   6    -0.05   0.04  -0.08    -0.00  -0.01  -0.00     0.03   0.03  -0.05
    59   6    -0.07   0.05  -0.10    -0.00  -0.01  -0.00     0.02   0.04  -0.07
    60   6    -0.02   0.02  -0.03    -0.01  -0.00  -0.00     0.05   0.01  -0.03
    61   6     0.03  -0.03   0.05    -0.01  -0.00  -0.01     0.07  -0.01   0.01
    62   8    -0.05   0.08   0.04    -0.02   0.04   0.02    -0.04   0.00  -0.02
    63  15    -0.05   0.03   0.02    -0.02   0.02   0.01    -0.02  -0.04   0.01
    64   8    -0.03  -0.03   0.01    -0.01   0.00  -0.01    -0.03  -0.11   0.04
    65   8    -0.11   0.04  -0.02    -0.05   0.03  -0.02    -0.03  -0.06   0.03
    66   6    -0.01  -0.03   0.01    -0.00  -0.01   0.00    -0.02  -0.04   0.01
    67   6     0.00  -0.03  -0.00     0.00  -0.01   0.01    -0.03  -0.02  -0.08
    68   6     0.00   0.04  -0.08     0.00   0.02  -0.05    -0.03  -0.05   0.08
    69   6     0.04  -0.03  -0.04     0.02  -0.00  -0.02    -0.00  -0.08   0.02
    70   1     0.03  -0.01  -0.11    -0.00  -0.05   0.02    -0.02  -0.03  -0.18
    71   1     0.05   0.02   0.11    -0.03  -0.01  -0.03     0.00   0.05   0.26
    72   1     0.04   0.02   0.12    -0.04  -0.03   0.01     0.01   0.02   0.23
    73   1     0.03   0.02  -0.12     0.01  -0.05  -0.03     0.03  -0.00  -0.10
    74   1    -0.04  -0.03   0.14     0.04  -0.04   0.00    -0.01  -0.03   0.10
    75   1    -0.03  -0.03   0.08     0.03  -0.02  -0.00    -0.02  -0.03   0.08
    76   1    -0.03  -0.02  -0.03    -0.03  -0.03  -0.07     0.08   0.06   0.19
    77   1    -0.02  -0.06  -0.08    -0.03  -0.05  -0.09     0.07   0.06   0.17
    78   1     0.04   0.03   0.08     0.02   0.04   0.08     0.00  -0.07  -0.10
    79   1    -0.03  -0.00   0.02     0.06  -0.07  -0.07    -0.00  -0.02  -0.00
    80   1    -0.02  -0.02  -0.00    -0.07   0.10   0.09    -0.04   0.01   0.03
    81   1    -0.00  -0.04  -0.02    -0.13   0.19   0.18    -0.05   0.03   0.03
    82   1    -0.01  -0.03  -0.02    -0.06   0.09   0.09    -0.03   0.01   0.00
    83   1    -0.04  -0.04   0.01    -0.08   0.09   0.09    -0.05  -0.00   0.03
    84   1    -0.04  -0.05  -0.03    -0.16   0.18   0.17    -0.07   0.02   0.03
    85   1    -0.03  -0.03  -0.04    -0.08   0.08   0.07    -0.04   0.00  -0.01
    86   1    -0.03   0.00  -0.02     0.06  -0.08  -0.09    -0.00  -0.02  -0.04
    87   1     0.07   0.01  -0.08    -0.03  -0.08   0.07    -0.06   0.04   0.09
    88   1     0.02  -0.10   0.05     0.09   0.06  -0.12    -0.10   0.09   0.04
    89   1    -0.02  -0.16   0.15     0.15   0.15  -0.21    -0.10   0.12  -0.05
    90   1     0.00  -0.11   0.10     0.09   0.07  -0.08    -0.09   0.07  -0.10
    91   1    -0.03  -0.14   0.12     0.07   0.07  -0.08    -0.04   0.06  -0.02
    92   1    -0.03  -0.15   0.14     0.14   0.16  -0.21    -0.04   0.06  -0.06
    93   1     0.05  -0.04   0.01     0.08   0.08  -0.11    -0.05   0.04  -0.04
    94   1     0.10   0.06  -0.10    -0.03  -0.07   0.09    -0.06  -0.00  -0.01
    95   1     0.08  -0.04   0.10     0.01   0.00   0.01     0.06   0.04   0.01
    96   1     0.01   0.05  -0.04     0.02   0.00   0.01     0.04   0.09  -0.08
    97   1    -0.07   0.12  -0.18     0.02   0.00  -0.01     0.04   0.08  -0.11
    98   1    -0.06   0.08  -0.15     0.01  -0.01  -0.03     0.06   0.02  -0.07
    99   1    -0.08   0.07  -0.12     0.00  -0.01   0.00     0.01   0.05  -0.08
   100   1    -0.12   0.10  -0.16    -0.00  -0.01   0.00    -0.00   0.06  -0.10
   101   1    -0.04   0.03  -0.04    -0.01  -0.00  -0.00     0.04   0.02  -0.04
   102   1     0.06  -0.06   0.09    -0.01   0.00  -0.01     0.08  -0.03   0.02
   103   1    -0.00  -0.02   0.03    -0.00  -0.00   0.01    -0.02  -0.04   0.01
   104   1     0.00  -0.03   0.00    -0.01  -0.02  -0.01    -0.00   0.00   0.04
   105   1     0.03  -0.04   0.00     0.01  -0.02   0.02    -0.02   0.04  -0.10
   106   1    -0.00  -0.03  -0.03    -0.00  -0.01   0.00    -0.03  -0.03  -0.08
   107   1    -0.01  -0.03   0.01    -0.00  -0.00   0.02    -0.05  -0.07  -0.12
   108   1    -0.01   0.10  -0.15    -0.01   0.05  -0.09     0.02  -0.04   0.15
   109   1     0.06   0.02  -0.10     0.04   0.01  -0.06    -0.11  -0.01   0.10
   110   1     0.13  -0.03  -0.09     0.06  -0.01  -0.05    -0.00  -0.06   0.07
   111   1     0.06  -0.10   0.03     0.03  -0.04   0.03    -0.06  -0.08  -0.05
   112   1    -0.02  -0.00  -0.02    -0.02   0.01  -0.01     0.07  -0.13   0.00
   113  17    -0.07   0.13   0.03    -0.04   0.07   0.02     0.11   0.03   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    117.1759               120.5655               133.5411
 Red. masses --      5.2869                 5.0934                 5.4243
 Frc consts  --      0.0428                 0.0436                 0.0570
 IR Inten    --      5.2710                 1.8516                 1.0200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01     0.04   0.02  -0.02    -0.02  -0.05   0.02
     2   6    -0.00  -0.01   0.07     0.00   0.02  -0.09     0.01  -0.05  -0.07
     3   6    -0.01  -0.01   0.06    -0.01   0.00  -0.05     0.03  -0.00  -0.05
     4   6    -0.01  -0.01   0.01    -0.00   0.00   0.02     0.02   0.02   0.03
     5   6    -0.01  -0.02  -0.06     0.04   0.01   0.13     0.00   0.04   0.14
     6   6    -0.01  -0.02  -0.07     0.05   0.02   0.11    -0.02   0.00   0.13
     7   6    -0.01  -0.00   0.05    -0.00  -0.00  -0.05     0.04   0.01  -0.07
     8   6    -0.01  -0.00   0.02     0.00   0.00  -0.03     0.02  -0.00  -0.05
     9   6    -0.01   0.00   0.02    -0.01  -0.00  -0.03     0.01  -0.00  -0.05
    10   6    -0.01   0.00   0.03    -0.02  -0.00  -0.01     0.01   0.01  -0.01
    11   6    -0.02   0.01   0.05     0.01  -0.03  -0.03     0.03   0.04  -0.05
    12   6    -0.03   0.02   0.00     0.03  -0.04  -0.01    -0.01   0.04   0.01
    13   6    -0.02   0.02  -0.04     0.04  -0.02  -0.00    -0.04   0.01   0.02
    14   6    -0.01   0.00  -0.03     0.03  -0.00  -0.01    -0.01  -0.01  -0.01
    15   7     0.00   0.02   0.04    -0.01  -0.00  -0.03     0.01   0.01  -0.03
    16   6     0.01   0.03   0.05    -0.02   0.01  -0.03     0.01   0.01  -0.01
    17   6     0.00   0.03   0.05    -0.04   0.00  -0.05    -0.01   0.00  -0.04
    18   7    -0.00   0.02   0.06    -0.03  -0.00  -0.04     0.00   0.01  -0.03
    19   6     0.02   0.04   0.02    -0.01   0.03  -0.01     0.01   0.03   0.05
    20   6     0.01   0.05  -0.03    -0.01   0.05  -0.00     0.01   0.03   0.05
    21   6    -0.00   0.05  -0.04    -0.04   0.04  -0.03    -0.01   0.01  -0.00
    22   6    -0.01   0.04   0.02    -0.05   0.02  -0.05    -0.01  -0.01  -0.05
    23   7     0.00  -0.02   0.01     0.06   0.04  -0.06    -0.04  -0.10   0.03
    24   7    -0.04   0.02   0.01     0.05  -0.06  -0.01    -0.05   0.10   0.07
    25   7    -0.02   0.06  -0.10    -0.07   0.06  -0.05    -0.03   0.01  -0.01
    26   6    -0.03   0.02   0.00     0.04  -0.05  -0.01    -0.03   0.10   0.06
    27   6    -0.05   0.03   0.02     0.05  -0.06  -0.04    -0.02   0.08   0.06
    28   6    -0.05   0.03   0.02     0.06  -0.05  -0.04    -0.03   0.09   0.06
    29   6    -0.04   0.02   0.00     0.05  -0.04  -0.01    -0.03   0.09   0.06
    30   6     0.01  -0.02   0.01     0.05   0.03  -0.05    -0.02  -0.11   0.03
    31   6     0.01  -0.02   0.01     0.06   0.04  -0.06    -0.02  -0.09   0.05
    32   6     0.01  -0.02   0.01     0.06   0.04  -0.06    -0.04  -0.09   0.05
    33   6     0.01  -0.02   0.01     0.06   0.03  -0.05    -0.04  -0.08   0.02
    34   6    -0.00   0.06  -0.09    -0.06   0.05  -0.04    -0.03   0.00  -0.01
    35   6    -0.01   0.07  -0.10    -0.07   0.05  -0.06    -0.03   0.00  -0.00
    36   6    -0.01   0.07  -0.10    -0.08   0.05  -0.06    -0.03   0.00  -0.00
    37   6     0.00   0.06  -0.09    -0.07   0.04  -0.03    -0.03   0.00  -0.00
    38   6    -0.04  -0.01   0.00     0.05  -0.00  -0.01     0.01   0.05   0.01
    39   6    -0.02  -0.05  -0.04     0.02   0.07   0.06     0.06  -0.02  -0.05
    40   6    -0.01  -0.06  -0.06     0.01   0.08   0.09     0.07  -0.02  -0.05
    41   6    -0.03  -0.02  -0.03     0.03   0.01   0.05     0.01   0.04   0.01
    42   6    -0.00  -0.02  -0.03    -0.01   0.00   0.04     0.02   0.08   0.03
    43   6     0.02  -0.04  -0.05    -0.05   0.05   0.07     0.09  -0.00  -0.03
    44   6    -0.01  -0.02  -0.02    -0.03   0.02   0.04     0.11  -0.04  -0.04
    45   6    -0.04   0.02   0.01     0.03  -0.03  -0.02     0.04   0.01   0.02
    46   6     0.02  -0.02  -0.01     0.02  -0.02   0.00    -0.03  -0.06   0.03
    47   6     0.04  -0.02  -0.02    -0.01  -0.07   0.07     0.00   0.01  -0.05
    48   6     0.04  -0.02  -0.02    -0.00  -0.06   0.06     0.01   0.03  -0.09
    49   6     0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.01  -0.02  -0.05
    50   6     0.03  -0.02  -0.01     0.01  -0.02   0.02     0.02  -0.11  -0.01
    51   6     0.04  -0.01  -0.01    -0.01  -0.05   0.06     0.11  -0.05  -0.08
    52   6     0.04  -0.02   0.00     0.00  -0.03   0.03     0.13  -0.00  -0.09
    53   6     0.02  -0.02   0.02     0.04   0.02  -0.03     0.06  -0.03  -0.01
    54   6     0.04   0.06  -0.05    -0.06  -0.01  -0.02    -0.04  -0.03   0.00
    55   6     0.12   0.01   0.03    -0.03  -0.07   0.08    -0.05  -0.04   0.02
    56   6     0.14  -0.02   0.05    -0.02  -0.07   0.12    -0.05  -0.03   0.03
    57   6     0.08   0.01  -0.02    -0.05  -0.01   0.05    -0.05  -0.01   0.02
    58   6     0.07   0.02  -0.01    -0.01   0.00   0.03    -0.05  -0.02   0.01
    59   6     0.13  -0.03   0.05     0.03  -0.04   0.10    -0.05  -0.02   0.03
    60   6     0.11  -0.03   0.03     0.02  -0.03   0.07    -0.04  -0.01   0.05
    61   6     0.04   0.02  -0.06    -0.04   0.02  -0.01    -0.04   0.00   0.03
    62   8    -0.08   0.07   0.00    -0.02   0.03  -0.02     0.00   0.03  -0.01
    63  15    -0.06  -0.01   0.02    -0.02   0.00  -0.03    -0.00   0.02  -0.02
    64   8    -0.04  -0.11   0.03    -0.01  -0.01  -0.04     0.01   0.02  -0.04
    65   8    -0.10  -0.04   0.03    -0.04  -0.02  -0.00    -0.01   0.00  -0.01
    66   6     0.01  -0.07   0.02     0.01  -0.03  -0.03     0.04  -0.03  -0.02
    67   6    -0.00  -0.05  -0.06    -0.01  -0.02  -0.02     0.01  -0.01  -0.00
    68   6    -0.05  -0.00   0.11    -0.03   0.00   0.07    -0.01   0.02   0.04
    69   6     0.03  -0.10   0.02     0.01  -0.04   0.01     0.00   0.00   0.01
    70   1     0.00   0.00   0.11    -0.02   0.03  -0.17     0.01  -0.07  -0.12
    71   1    -0.01  -0.03  -0.11     0.05  -0.01   0.21     0.00   0.07   0.21
    72   1    -0.02  -0.03  -0.12     0.08   0.03   0.19    -0.04   0.02   0.21
    73   1    -0.02   0.02   0.07    -0.00  -0.05  -0.04     0.04   0.05  -0.06
    74   1    -0.01   0.03  -0.08     0.05  -0.03   0.01    -0.07   0.00   0.07
    75   1    -0.01   0.00  -0.05     0.04   0.01  -0.01    -0.03  -0.04   0.00
    76   1     0.04   0.04   0.03     0.01   0.04   0.01     0.02   0.05   0.09
    77   1     0.01   0.04  -0.05    -0.00   0.08   0.02     0.03   0.06   0.09
    78   1    -0.04   0.04   0.02    -0.07   0.01  -0.07    -0.01  -0.02  -0.09
    79   1    -0.04  -0.01   0.02     0.05  -0.00  -0.03     0.01   0.04   0.00
    80   1    -0.00  -0.08  -0.06    -0.00   0.12   0.09     0.10  -0.06  -0.09
    81   1     0.01  -0.09  -0.09    -0.02   0.13   0.14     0.11  -0.07  -0.09
    82   1    -0.02  -0.02  -0.05     0.03   0.02   0.07     0.02   0.03   0.01
    83   1     0.02  -0.04  -0.05    -0.03   0.02   0.06     0.01   0.10   0.03
    84   1     0.05  -0.08  -0.09    -0.10   0.10   0.12     0.14  -0.04  -0.07
    85   1     0.01  -0.03  -0.03    -0.06   0.06   0.06     0.17  -0.11  -0.09
    86   1    -0.05   0.04   0.03     0.04  -0.04  -0.04     0.05  -0.02   0.01
    87   1     0.01  -0.02  -0.02     0.02  -0.03   0.01    -0.03  -0.07   0.06
    88   1     0.05  -0.01  -0.04    -0.04  -0.12   0.13     0.02   0.05  -0.07
    89   1     0.05  -0.01  -0.03    -0.03  -0.10   0.11     0.03   0.09  -0.16
    90   1     0.04  -0.02   0.02     0.04   0.00  -0.01    -0.01  -0.00  -0.09
    91   1     0.03  -0.02  -0.03    -0.01  -0.04   0.05     0.01  -0.14  -0.01
    92   1     0.05  -0.01  -0.03    -0.05  -0.10   0.12     0.15  -0.02  -0.13
    93   1     0.04  -0.01   0.00    -0.01  -0.05   0.06     0.19   0.06  -0.15
    94   1     0.02  -0.02   0.03     0.05   0.03  -0.05     0.08   0.01  -0.00
    95   1     0.02   0.09  -0.04    -0.06  -0.02  -0.04    -0.03  -0.04  -0.01
    96   1     0.16  -0.01   0.09    -0.00  -0.11   0.13    -0.05  -0.06   0.03
    97   1     0.21  -0.07   0.12     0.01  -0.12   0.19    -0.06  -0.04   0.05
    98   1     0.11  -0.03  -0.01    -0.04  -0.00   0.09    -0.06   0.01   0.04
    99   1     0.08   0.02   0.01     0.00  -0.02   0.05    -0.05  -0.03  -0.01
   100   1     0.18  -0.08   0.13     0.08  -0.08   0.17    -0.05  -0.03   0.05
   101   1     0.16  -0.07   0.08     0.05  -0.06   0.12    -0.04  -0.02   0.07
   102   1     0.03   0.02  -0.07    -0.05   0.03  -0.02    -0.03   0.02   0.04
   103   1     0.01  -0.08   0.06     0.01  -0.05   0.00     0.04  -0.06   0.02
   104   1     0.06  -0.04   0.02     0.04  -0.04  -0.05     0.08  -0.04  -0.05
   105   1     0.06  -0.02  -0.07     0.01  -0.04  -0.01     0.05  -0.06   0.02
   106   1    -0.02  -0.04  -0.13    -0.01  -0.00  -0.06     0.00   0.03  -0.06
   107   1    -0.06  -0.07  -0.06    -0.04  -0.02   0.00    -0.05   0.01   0.05
   108   1     0.04   0.04   0.22     0.03   0.01   0.15     0.02   0.01   0.09
   109   1    -0.17   0.07   0.15    -0.11   0.06   0.09    -0.06   0.06   0.05
   110   1     0.06  -0.06   0.11     0.01  -0.02   0.09    -0.01   0.02   0.06
   111   1    -0.07  -0.13  -0.10    -0.05  -0.04  -0.07    -0.03   0.02  -0.05
   112   1     0.15  -0.19  -0.01     0.09  -0.11  -0.01     0.06  -0.05  -0.01
   113  17    -0.05   0.04   0.04     0.02   0.02  -0.01    -0.01   0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    143.1274               149.9698               151.8473
 Red. masses --      4.2043                 5.4696                 3.9598
 Frc consts  --      0.0507                 0.0725                 0.0538
 IR Inten    --      1.7428                 1.3200                 6.9414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.01  -0.01   0.02     0.00   0.00  -0.01
     2   6     0.01  -0.00  -0.04    -0.03  -0.00   0.04     0.01   0.00  -0.01
     3   6     0.01   0.00  -0.07    -0.03  -0.01   0.06     0.01  -0.00  -0.02
     4   6     0.01  -0.00  -0.07    -0.03  -0.01   0.05     0.01  -0.00  -0.02
     5   6    -0.00  -0.00  -0.08    -0.01  -0.02   0.08     0.00  -0.00  -0.03
     6   6    -0.00  -0.00  -0.05    -0.00  -0.01   0.06     0.00  -0.00  -0.03
     7   6     0.02   0.01  -0.06    -0.04  -0.00   0.06     0.01  -0.00  -0.03
     8   6    -0.01  -0.00   0.04    -0.04  -0.00   0.06     0.01  -0.01  -0.02
     9   6    -0.01  -0.00   0.04    -0.04  -0.00   0.03     0.01  -0.01  -0.06
    10   6    -0.00  -0.01  -0.02    -0.04  -0.03  -0.00     0.01   0.00   0.00
    11   6     0.03   0.02  -0.10    -0.03  -0.00   0.05     0.01   0.00  -0.03
    12   6     0.00   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6    -0.05  -0.03   0.18    -0.01   0.00   0.02    -0.01  -0.01   0.02
    14   6    -0.05  -0.03   0.17    -0.03  -0.00   0.05    -0.00  -0.01   0.00
    15   7    -0.00  -0.03   0.02    -0.04  -0.01  -0.01    -0.00   0.00  -0.03
    16   6    -0.00  -0.03  -0.00    -0.05  -0.05  -0.09     0.01   0.02   0.01
    17   6    -0.00  -0.02   0.02    -0.05  -0.06  -0.12     0.01   0.02   0.02
    18   7     0.00  -0.02  -0.00    -0.06  -0.06  -0.10     0.01   0.02   0.03
    19   6    -0.01  -0.03  -0.06    -0.05  -0.05  -0.10     0.01   0.02   0.04
    20   6    -0.01  -0.02  -0.07    -0.04  -0.03  -0.06     0.01   0.02   0.04
    21   6    -0.01   0.01  -0.01    -0.01  -0.01  -0.02     0.00   0.00   0.01
    22   6    -0.01   0.01   0.04    -0.04  -0.04  -0.09     0.01   0.01   0.01
    23   7    -0.01  -0.01   0.04     0.00   0.00  -0.03     0.01   0.00   0.01
    24   7     0.02   0.02  -0.01     0.01  -0.00  -0.02     0.00  -0.00  -0.00
    25   7    -0.03   0.04  -0.02     0.04  -0.00   0.06    -0.01  -0.01  -0.01
    26   6     0.01   0.04   0.01     0.02   0.01  -0.01    -0.01   0.01   0.01
    27   6     0.03   0.02   0.00     0.02   0.00  -0.01     0.00  -0.01  -0.00
    28   6     0.01   0.03   0.01     0.01   0.00  -0.01     0.00   0.00   0.00
    29   6     0.03   0.00  -0.02     0.02  -0.01  -0.02     0.01  -0.02  -0.01
    30   6    -0.01   0.00   0.03     0.00  -0.02  -0.01     0.02   0.03  -0.02
    31   6    -0.01   0.00   0.02     0.01  -0.00  -0.02    -0.00   0.00   0.01
    32   6    -0.01  -0.00   0.02    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    33   6    -0.01  -0.01   0.04     0.01   0.01  -0.04    -0.01  -0.02   0.03
    34   6    -0.02   0.04  -0.02     0.03   0.03   0.02    -0.04   0.02  -0.05
    35   6    -0.02   0.03  -0.03     0.05  -0.00   0.03    -0.01  -0.01   0.01
    36   6    -0.02   0.03  -0.02     0.03   0.01   0.03    -0.01  -0.00  -0.01
    37   6    -0.03   0.04  -0.03     0.06  -0.02   0.08     0.02  -0.04   0.03
    38   6    -0.02   0.08   0.05    -0.00   0.04   0.01    -0.02   0.04   0.03
    39   6    -0.01   0.07   0.04     0.01   0.04   0.01    -0.02   0.03   0.03
    40   6     0.05  -0.00  -0.03     0.03   0.01  -0.01     0.02  -0.01  -0.01
    41   6     0.07  -0.04  -0.06     0.04  -0.01  -0.03     0.03  -0.04  -0.03
    42   6     0.01   0.09   0.04     0.03   0.04   0.00    -0.02   0.03   0.03
    43   6     0.06   0.05   0.03     0.05   0.03   0.02    -0.01   0.02   0.02
    44   6     0.10  -0.03  -0.02     0.06   0.01   0.02     0.02  -0.03  -0.02
    45   6     0.08  -0.04  -0.02     0.04  -0.01   0.01     0.03  -0.03  -0.03
    46   6     0.01   0.01  -0.01    -0.03  -0.06   0.04     0.04   0.06  -0.06
    47   6     0.02   0.02  -0.01    -0.02  -0.06   0.04     0.03   0.05  -0.05
    48   6     0.01   0.00   0.01     0.02   0.00  -0.04    -0.02  -0.02   0.04
    49   6    -0.01  -0.01   0.04     0.04   0.04  -0.07    -0.04  -0.05   0.08
    50   6    -0.02   0.02   0.03     0.00  -0.07   0.02     0.03   0.07  -0.05
    51   6    -0.03   0.03   0.01     0.03  -0.05   0.01    -0.00   0.04  -0.02
    52   6    -0.03   0.03  -0.01     0.07  -0.00  -0.03    -0.05  -0.03   0.06
    53   6    -0.02   0.01  -0.00     0.05   0.02  -0.03    -0.05  -0.04   0.06
    54   6     0.00  -0.00   0.02    -0.03   0.09  -0.07    -0.08   0.06  -0.10
    55   6     0.02  -0.02   0.05    -0.02   0.10  -0.09    -0.06   0.05  -0.09
    56   6    -0.00  -0.00   0.03     0.06   0.02   0.03     0.03  -0.04   0.04
    57   6    -0.03   0.03  -0.01     0.10  -0.04   0.11     0.07  -0.08   0.10
    58   6     0.02   0.03   0.01     0.04   0.10  -0.04    -0.10   0.05  -0.12
    59   6     0.04   0.01   0.02     0.09   0.08  -0.07    -0.06   0.01  -0.04
    60   6     0.03   0.01   0.00     0.13   0.00  -0.02     0.04  -0.07   0.11
    61   6    -0.00   0.02  -0.02     0.10  -0.04   0.02     0.05  -0.07   0.12
    62   8     0.01  -0.05   0.02    -0.03   0.04   0.07     0.02  -0.04  -0.03
    63  15     0.01  -0.05   0.01    -0.04   0.02   0.02     0.01  -0.01  -0.03
    64   8    -0.01  -0.07   0.04    -0.03   0.05  -0.01     0.01   0.03  -0.05
    65   8     0.00  -0.05   0.01    -0.09   0.02  -0.00     0.03  -0.01  -0.02
    66   6    -0.10   0.03  -0.01    -0.04   0.04  -0.00     0.03  -0.02  -0.03
    67   6    -0.03  -0.02  -0.02    -0.00   0.02   0.03     0.01  -0.01  -0.00
    68   6    -0.00  -0.07  -0.02    -0.01   0.01  -0.08    -0.01   0.01   0.05
    69   6    -0.01  -0.06   0.00     0.01  -0.04  -0.02    -0.01   0.01   0.02
    70   1     0.01  -0.01  -0.02    -0.04   0.01   0.02     0.01  -0.00   0.01
    71   1    -0.00   0.00  -0.10    -0.01  -0.03   0.09     0.00  -0.00  -0.04
    72   1    -0.00   0.00  -0.04     0.00  -0.01   0.06     0.00  -0.00  -0.05
    73   1     0.06   0.04  -0.21    -0.04  -0.01   0.04     0.01   0.00  -0.04
    74   1    -0.08  -0.05   0.29    -0.01   0.01   0.00    -0.02  -0.02   0.04
    75   1    -0.08  -0.06   0.25    -0.02   0.01   0.05    -0.01  -0.02   0.00
    76   1    -0.00  -0.05  -0.10    -0.05  -0.05  -0.11     0.01   0.03   0.05
    77   1    -0.01  -0.03  -0.11    -0.04  -0.03  -0.03     0.01   0.02   0.06
    78   1    -0.02   0.02   0.06    -0.04  -0.04  -0.08     0.01   0.00  -0.01
    79   1    -0.06   0.13   0.09    -0.02   0.07   0.02    -0.05   0.07   0.06
    80   1    -0.04   0.11   0.08    -0.01   0.07   0.03    -0.04   0.06   0.06
    81   1     0.06  -0.03  -0.05     0.04   0.01  -0.01     0.03  -0.03  -0.02
    82   1     0.10  -0.08  -0.09     0.05  -0.04  -0.03     0.05  -0.07  -0.06
    83   1    -0.02   0.14   0.07     0.03   0.07  -0.01    -0.04   0.06   0.06
    84   1     0.06   0.07   0.04     0.06   0.05   0.03    -0.02   0.03   0.03
    85   1     0.14  -0.07  -0.05     0.07   0.00   0.03     0.04  -0.05  -0.05
    86   1     0.10  -0.09  -0.05     0.04  -0.04   0.02     0.05  -0.06  -0.05
    87   1     0.02   0.03  -0.03    -0.06  -0.10   0.09     0.07   0.10  -0.12
    88   1     0.03   0.03  -0.04    -0.05  -0.09   0.08     0.06   0.09  -0.10
    89   1     0.01   0.00   0.01     0.03   0.01  -0.05    -0.03  -0.04   0.07
    90   1    -0.01  -0.02   0.05     0.06   0.07  -0.11    -0.07  -0.09   0.12
    91   1    -0.02   0.03   0.04    -0.02  -0.11   0.03     0.06   0.11  -0.09
    92   1    -0.04   0.05   0.00     0.03  -0.08   0.02     0.00   0.06  -0.04
    93   1    -0.03   0.04  -0.03     0.10   0.02  -0.05    -0.09  -0.07   0.10
    94   1    -0.02   0.01  -0.02     0.07   0.06  -0.05    -0.08  -0.09   0.10
    95   1     0.02  -0.02   0.03    -0.09   0.15  -0.14    -0.14   0.11  -0.19
    96   1     0.04  -0.05   0.09    -0.08   0.16  -0.17    -0.12   0.10  -0.17
    97   1     0.00  -0.01   0.05     0.07   0.01   0.04     0.05  -0.07   0.08
    98   1    -0.04   0.05  -0.03     0.15  -0.10   0.16     0.12  -0.13   0.18
    99   1     0.02   0.03   0.02     0.02   0.17  -0.07    -0.16   0.10  -0.20
   100   1     0.07  -0.01   0.05     0.09   0.12  -0.11    -0.10   0.03  -0.08
   101   1     0.05  -0.01   0.02     0.17  -0.03  -0.01     0.09  -0.12   0.20
   102   1    -0.01   0.01  -0.04     0.12  -0.11   0.04     0.12  -0.12   0.21
   103   1    -0.11   0.11  -0.12    -0.04   0.08  -0.03     0.03  -0.05   0.00
   104   1    -0.23   0.05   0.08    -0.08   0.03  -0.00     0.07  -0.04  -0.07
   105   1    -0.16   0.09  -0.07    -0.03   0.01   0.03     0.05  -0.07   0.02
   106   1    -0.01  -0.11   0.16     0.00  -0.01   0.07    -0.00   0.03  -0.07
   107   1     0.12  -0.06  -0.15     0.05   0.03   0.02    -0.05   0.02   0.06
   108   1    -0.03  -0.07  -0.06    -0.04   0.06  -0.16     0.02  -0.02   0.11
   109   1     0.03  -0.09  -0.03     0.06  -0.03  -0.10    -0.07   0.05   0.06
   110   1     0.00  -0.07  -0.04     0.09  -0.05  -0.11    -0.04   0.03   0.10
   111   1     0.01  -0.07   0.05     0.05  -0.11   0.08    -0.04   0.05  -0.06
   112   1    -0.06  -0.02   0.01    -0.08   0.02   0.00     0.06  -0.06   0.00
   113  17    -0.01   0.00  -0.06    -0.06  -0.03   0.03    -0.03   0.02   0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    154.1427               155.0849               157.9071
 Red. masses --      4.1529                 3.8289                 6.9532
 Frc consts  --      0.0581                 0.0543                 0.1021
 IR Inten    --      0.1112                 2.0244                31.4198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.00  -0.01   0.00    -0.00  -0.00  -0.01
     2   6     0.01   0.01  -0.02     0.01  -0.01  -0.03    -0.01  -0.00  -0.00
     3   6     0.01   0.01  -0.04     0.01  -0.00  -0.03    -0.01  -0.01  -0.01
     4   6     0.01   0.01  -0.05     0.01  -0.00  -0.00    -0.01  -0.02  -0.03
     5   6    -0.00   0.01  -0.09     0.01   0.00   0.05    -0.00  -0.03  -0.07
     6   6    -0.01   0.01  -0.07     0.01   0.00   0.05     0.00  -0.02  -0.05
     7   6     0.01   0.01  -0.02     0.01  -0.00  -0.03    -0.01  -0.01  -0.01
     8   6     0.01   0.00  -0.00     0.00  -0.01   0.01    -0.01  -0.02   0.01
     9   6     0.01   0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.05  -0.11
    10   6     0.01   0.01  -0.00     0.00  -0.01  -0.01    -0.02  -0.03  -0.02
    11   6     0.01   0.01  -0.02     0.01   0.01  -0.03     0.00  -0.00  -0.03
    12   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.01  -0.00   0.01
    13   6     0.00  -0.00   0.02    -0.01  -0.01   0.05    -0.04  -0.04   0.11
    14   6     0.00   0.00   0.02    -0.01  -0.01   0.05    -0.04  -0.04   0.09
    15   7     0.01  -0.00   0.01    -0.00  -0.01   0.01    -0.02   0.00  -0.05
    16   6     0.01   0.01   0.03    -0.01  -0.03  -0.02    -0.01   0.00  -0.02
    17   6     0.02   0.02   0.06    -0.01  -0.02  -0.02    -0.02  -0.02  -0.07
    18   7     0.02   0.02   0.05    -0.00  -0.02  -0.02    -0.02  -0.03  -0.06
    19   6     0.01  -0.00   0.01    -0.01  -0.03  -0.05     0.01   0.03   0.05
    20   6     0.01  -0.00  -0.01    -0.01  -0.02  -0.04     0.01   0.03   0.06
    21   6     0.00   0.00   0.01    -0.01  -0.00  -0.01     0.00   0.00  -0.01
    22   6     0.01   0.02   0.06    -0.01  -0.01  -0.01    -0.01  -0.02  -0.08
    23   7    -0.01   0.00   0.03     0.00  -0.01   0.00     0.00   0.02   0.01
    24   7     0.00   0.00   0.00     0.00   0.02   0.01     0.02   0.00  -0.02
    25   7    -0.02   0.00  -0.02    -0.01   0.02   0.00     0.02  -0.02   0.02
    26   6     0.02  -0.02  -0.02     0.04  -0.02  -0.03     0.04  -0.01  -0.04
    27   6     0.00   0.01   0.00     0.00   0.02   0.01     0.02   0.01  -0.01
    28   6     0.01  -0.00  -0.00     0.01   0.01  -0.00     0.02   0.01  -0.01
    29   6    -0.01   0.02   0.02    -0.02   0.05   0.04     0.01   0.02  -0.00
    30   6    -0.03  -0.02   0.06     0.02   0.01  -0.02    -0.01   0.01   0.02
    31   6    -0.01   0.02   0.00    -0.00  -0.02   0.01    -0.00   0.02  -0.00
    32   6    -0.01   0.00   0.02     0.00  -0.01  -0.00     0.00   0.02   0.00
    33   6     0.01   0.03  -0.02    -0.02  -0.03   0.03     0.01   0.03  -0.01
    34   6    -0.04   0.02  -0.05    -0.01   0.03  -0.01     0.04  -0.03   0.04
    35   6    -0.02  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.01   0.01
    36   6    -0.02   0.00  -0.02    -0.01   0.02  -0.01     0.03  -0.01   0.02
    37   6    -0.00  -0.01   0.01    -0.01   0.01   0.01     0.01  -0.00  -0.01
    38   6     0.04  -0.05  -0.04     0.08  -0.08  -0.09     0.04  -0.01  -0.04
    39   6     0.03  -0.05  -0.04     0.08  -0.07  -0.08     0.04   0.00  -0.03
    40   6    -0.02   0.02   0.02    -0.02   0.05   0.04     0.01   0.04   0.01
    41   6    -0.04   0.06   0.05    -0.07   0.12   0.10    -0.00   0.05   0.02
    42   6     0.04  -0.06  -0.05     0.09  -0.08  -0.09     0.09  -0.01  -0.05
    43   6     0.01  -0.03  -0.02     0.06  -0.03  -0.04     0.08   0.02  -0.00
    44   6    -0.04   0.04   0.03    -0.03   0.08   0.08     0.03   0.06   0.06
    45   6    -0.04   0.05   0.04    -0.05   0.10   0.09     0.01   0.05   0.06
    46   6    -0.05  -0.07   0.09     0.04   0.06  -0.06    -0.01  -0.01   0.03
    47   6    -0.04  -0.06   0.08     0.03   0.06  -0.06    -0.02  -0.01   0.04
    48   6     0.03   0.04  -0.04    -0.03  -0.02   0.03     0.01   0.02   0.00
    49   6     0.06   0.08  -0.08    -0.05  -0.06   0.07     0.02   0.04  -0.02
    50   6    -0.08  -0.07   0.13     0.04   0.05  -0.07    -0.03   0.01   0.04
    51   6    -0.05  -0.01   0.06     0.02   0.02  -0.04    -0.05   0.02   0.03
    52   6     0.03   0.09  -0.09    -0.03  -0.05   0.05    -0.03   0.04  -0.02
    53   6     0.04   0.09  -0.10    -0.04  -0.06   0.06    -0.01   0.03  -0.03
    54   6    -0.05   0.03  -0.06    -0.02   0.01  -0.01     0.05  -0.03   0.05
    55   6    -0.04   0.02  -0.04    -0.02   0.00   0.00     0.04  -0.01   0.02
    56   6     0.01  -0.03   0.03    -0.01  -0.01   0.03    -0.00   0.03  -0.04
    57   6     0.03  -0.05   0.06    -0.00   0.00   0.03    -0.01   0.03  -0.05
    58   6    -0.08   0.04  -0.08    -0.00   0.04  -0.02     0.06  -0.05   0.07
    59   6    -0.05   0.00  -0.02     0.02   0.02  -0.00     0.03  -0.01   0.01
    60   6     0.02  -0.05   0.08     0.04  -0.00   0.02    -0.03   0.04  -0.07
    61   6     0.03  -0.05   0.08     0.02  -0.01   0.01    -0.03   0.03  -0.06
    62   8     0.02  -0.04  -0.02     0.00   0.01   0.04     0.05  -0.13  -0.04
    63  15     0.03  -0.02  -0.00    -0.00  -0.01   0.02     0.02  -0.04  -0.06
    64   8     0.02  -0.04   0.02     0.00  -0.02   0.02     0.03   0.07  -0.12
    65   8     0.05  -0.02   0.01    -0.03  -0.01   0.01     0.04  -0.05  -0.05
    66   6    -0.01  -0.01  -0.00    -0.04   0.02   0.00     0.03  -0.03  -0.08
    67   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.03  -0.00
    68   6     0.01  -0.02   0.02    -0.00  -0.03  -0.04    -0.03  -0.02   0.09
    69   6    -0.01   0.00   0.01     0.00  -0.03  -0.01    -0.02  -0.03   0.04
    70   1     0.01   0.00  -0.01     0.01  -0.02  -0.05    -0.01   0.00   0.02
    71   1    -0.01   0.01  -0.11     0.01   0.01   0.08    -0.01  -0.03  -0.10
    72   1    -0.01   0.01  -0.07     0.02   0.00   0.08     0.01  -0.02  -0.07
    73   1     0.02   0.01  -0.03     0.02   0.01  -0.04     0.01   0.01  -0.07
    74   1     0.00  -0.00   0.04    -0.02  -0.02   0.08    -0.06  -0.04   0.15
    75   1    -0.00  -0.00   0.03    -0.02  -0.03   0.08    -0.06  -0.06   0.11
    76   1     0.01  -0.01  -0.02    -0.01  -0.04  -0.06     0.02   0.05   0.09
    77   1     0.00  -0.01  -0.03    -0.01  -0.02  -0.05     0.02   0.05   0.11
    78   1     0.01   0.02   0.07    -0.02  -0.01  -0.00    -0.01  -0.04  -0.11
    79   1     0.07  -0.10  -0.08     0.15  -0.16  -0.16     0.06  -0.03  -0.07
    80   1     0.06  -0.09  -0.07     0.13  -0.15  -0.15     0.05  -0.01  -0.04
    81   1    -0.04   0.04   0.04    -0.04   0.09   0.07     0.00   0.06   0.03
    82   1    -0.07   0.10   0.08    -0.12   0.19   0.16    -0.01   0.06   0.04
    83   1     0.06  -0.10  -0.07     0.14  -0.14  -0.15     0.11  -0.02  -0.09
    84   1     0.02  -0.05  -0.04     0.09  -0.07  -0.07     0.10   0.02  -0.01
    85   1    -0.07   0.08   0.07    -0.08   0.15   0.14     0.01   0.10   0.11
    86   1    -0.07   0.10   0.08    -0.11   0.17   0.17    -0.03   0.07   0.12
    87   1    -0.10  -0.13   0.16     0.08   0.11  -0.12    -0.03  -0.02   0.05
    88   1    -0.07  -0.12   0.14     0.06   0.11  -0.12    -0.03  -0.03   0.06
    89   1     0.06   0.07  -0.07    -0.05  -0.03   0.05     0.01   0.02  -0.00
    90   1     0.10   0.14  -0.14    -0.09  -0.11   0.11     0.03   0.05  -0.04
    91   1    -0.12  -0.12   0.20     0.07   0.10  -0.12    -0.04   0.01   0.07
    92   1    -0.08  -0.03   0.09     0.04   0.05  -0.07    -0.06   0.01   0.05
    93   1     0.07   0.15  -0.17    -0.06  -0.08   0.09    -0.03   0.05  -0.03
    94   1     0.08   0.16  -0.19    -0.07  -0.11   0.12    -0.00   0.04  -0.07
    95   1    -0.09   0.06  -0.12    -0.03   0.02  -0.03     0.07  -0.05   0.09
    96   1    -0.06   0.04  -0.08    -0.02   0.00  -0.00     0.05  -0.02   0.04
    97   1     0.04  -0.05   0.07    -0.00  -0.02   0.05    -0.02   0.05  -0.08
    98   1     0.06  -0.08   0.10     0.00  -0.00   0.05    -0.03   0.05  -0.09
    99   1    -0.12   0.07  -0.14    -0.01   0.06  -0.02     0.09  -0.08   0.11
   100   1    -0.07   0.01  -0.04     0.03   0.03  -0.00     0.03  -0.02   0.02
   101   1     0.06  -0.10   0.16     0.06  -0.02   0.04    -0.07   0.08  -0.13
   102   1     0.07  -0.08   0.15     0.03  -0.03   0.02    -0.06   0.07  -0.12
   103   1    -0.01  -0.00  -0.03    -0.04   0.05  -0.05     0.03  -0.05  -0.06
   104   1    -0.03   0.01   0.02    -0.09   0.02   0.04     0.05  -0.08  -0.14
   105   1    -0.05   0.03  -0.03    -0.08   0.04  -0.01     0.06  -0.14   0.04
   106   1    -0.00  -0.02   0.03     0.00  -0.04   0.09    -0.00   0.02  -0.08
   107   1     0.02  -0.03  -0.05     0.06  -0.01  -0.05    -0.06   0.03   0.10
   108   1     0.01  -0.05   0.04    -0.03  -0.01  -0.09     0.04  -0.07   0.22
   109   1    -0.01  -0.02   0.03     0.04  -0.06  -0.05    -0.14   0.07   0.12
   110   1    -0.04   0.00   0.03     0.03  -0.05  -0.07    -0.07   0.03   0.21
   111   1    -0.01   0.03  -0.02     0.03  -0.07   0.06    -0.09   0.06  -0.12
   112   1     0.01  -0.01   0.00    -0.06   0.01   0.00     0.12  -0.17   0.01
   113  17     0.02   0.01  -0.04    -0.02   0.02  -0.04    -0.17   0.08   0.21
                     34                     35                     36
                      A                      A                      A
 Frequencies --    168.6550               173.8899               186.5455
 Red. masses --      7.2778                 4.9511                 4.3424
 Frc consts  --      0.1220                 0.0882                 0.0890
 IR Inten    --      9.7283                10.3964                 1.4516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.02    -0.01   0.01   0.02     0.01   0.00  -0.02
     2   6    -0.00  -0.03   0.01    -0.01   0.02   0.06     0.01   0.00  -0.05
     3   6    -0.00  -0.05   0.02    -0.01   0.02   0.07     0.01   0.00  -0.05
     4   6     0.00  -0.07   0.00    -0.01   0.03   0.06     0.01   0.00  -0.03
     5   6     0.02  -0.07   0.06    -0.01   0.03   0.08     0.01   0.00  -0.03
     6   6     0.03  -0.05   0.08    -0.02   0.03   0.06     0.01   0.00  -0.02
     7   6     0.01  -0.05   0.03    -0.02   0.02   0.08     0.01   0.01  -0.05
     8   6     0.02  -0.06  -0.05    -0.01   0.04   0.08     0.01   0.01  -0.01
     9   6     0.02  -0.08  -0.06    -0.01   0.06   0.11    -0.00   0.00   0.00
    10   6     0.01  -0.08  -0.03    -0.00   0.04   0.03    -0.00  -0.01  -0.01
    11   6    -0.01  -0.05   0.08    -0.02   0.02   0.05     0.02   0.01  -0.06
    12   6     0.01  -0.02  -0.03    -0.00   0.02   0.03     0.01   0.00  -0.01
    13   6     0.03  -0.02  -0.21     0.01   0.04   0.05     0.01  -0.00  -0.00
    14   6     0.04  -0.04  -0.18    -0.00   0.04   0.07     0.00   0.00  -0.01
    15   7     0.02  -0.05   0.04     0.02   0.05   0.06    -0.00   0.01   0.04
    16   6     0.02  -0.05   0.00    -0.00   0.04  -0.02    -0.02  -0.03  -0.05
    17   6     0.01  -0.05   0.01    -0.01   0.03  -0.03    -0.02  -0.04  -0.06
    18   7     0.01  -0.05   0.00    -0.02   0.03  -0.02    -0.01  -0.03  -0.06
    19   6     0.02  -0.06  -0.05    -0.02   0.02  -0.05    -0.03  -0.05  -0.11
    20   6     0.01  -0.04  -0.06    -0.02  -0.00  -0.05    -0.03  -0.05  -0.11
    21   6     0.00  -0.01  -0.00    -0.01   0.01  -0.02    -0.01  -0.02  -0.04
    22   6     0.00  -0.02   0.03    -0.00   0.02  -0.03    -0.02  -0.03  -0.05
    23   7     0.02   0.02  -0.03    -0.01  -0.00  -0.02    -0.00  -0.01   0.01
    24   7    -0.04   0.03   0.03     0.02  -0.01  -0.02    -0.00   0.00   0.01
    25   7    -0.01   0.02  -0.00     0.02  -0.02   0.03     0.00   0.01   0.03
    26   6    -0.05   0.05   0.04     0.01  -0.02  -0.02    -0.00   0.00   0.01
    27   6    -0.04   0.03   0.03     0.01  -0.01  -0.02    -0.00   0.00   0.01
    28   6    -0.04   0.04   0.03     0.01  -0.02  -0.02    -0.00   0.01   0.01
    29   6    -0.03   0.03   0.02     0.01  -0.02  -0.03    -0.00   0.01   0.01
    30   6     0.01   0.03  -0.02     0.00  -0.01  -0.02    -0.00  -0.01   0.02
    31   6     0.01   0.02  -0.03     0.00  -0.01  -0.00    -0.00  -0.01   0.01
    32   6     0.01   0.03  -0.02    -0.01  -0.01  -0.01    -0.00  -0.01   0.01
    33   6     0.01   0.03  -0.04    -0.01  -0.01  -0.01    -0.00  -0.01   0.02
    34   6    -0.02   0.03  -0.01     0.02  -0.03   0.03     0.00   0.02   0.02
    35   6    -0.01   0.02  -0.01     0.02  -0.02   0.03     0.00   0.01   0.01
    36   6    -0.02   0.02  -0.01     0.02  -0.02   0.03    -0.00   0.01   0.02
    37   6    -0.02   0.02  -0.00     0.03  -0.03   0.04     0.00   0.01   0.03
    38   6    -0.02   0.03   0.00    -0.02  -0.02   0.02     0.01  -0.00   0.00
    39   6     0.02   0.00  -0.02    -0.05  -0.01   0.02     0.01  -0.01  -0.00
    40   6     0.03  -0.01  -0.02    -0.04  -0.02  -0.01     0.01   0.00   0.01
    41   6     0.00   0.01   0.01    -0.01  -0.03  -0.04    -0.00   0.01   0.02
    42   6    -0.04   0.07   0.05    -0.01  -0.02  -0.02    -0.01  -0.00   0.01
    43   6     0.02   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.00
    44   6     0.06  -0.05  -0.03    -0.04   0.01  -0.01    -0.01  -0.01  -0.01
    45   6     0.02  -0.03  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    46   6    -0.02   0.03   0.04    -0.00  -0.02  -0.03     0.01   0.00  -0.00
    47   6    -0.06   0.04   0.05     0.01  -0.03  -0.03     0.01   0.01  -0.01
    48   6    -0.06   0.06   0.01     0.01  -0.03  -0.02     0.00   0.00   0.01
    49   6    -0.03   0.05  -0.05     0.01  -0.02  -0.01    -0.00  -0.01   0.02
    50   6    -0.02   0.05  -0.01     0.04  -0.04  -0.04    -0.01   0.00   0.02
    51   6    -0.07   0.03   0.00     0.07  -0.04  -0.02    -0.01   0.01   0.00
    52   6    -0.08   0.01  -0.00     0.06  -0.04   0.02    -0.01   0.01  -0.01
    53   6    -0.04   0.00  -0.03     0.03  -0.02   0.03    -0.01   0.00  -0.00
    54   6    -0.02   0.00   0.00    -0.01  -0.01  -0.01    -0.02   0.01   0.00
    55   6    -0.01  -0.01   0.02    -0.03   0.01  -0.03    -0.03   0.00   0.01
    56   6    -0.02  -0.00   0.03    -0.01  -0.01   0.00    -0.02   0.00   0.03
    57   6    -0.02   0.02   0.01     0.02  -0.03   0.04    -0.01   0.01   0.04
    58   6    -0.00   0.04  -0.01     0.01  -0.03   0.03     0.02   0.03   0.02
    59   6     0.02   0.02   0.01    -0.02  -0.00  -0.00     0.03   0.03   0.00
    60   6     0.03  -0.00   0.02    -0.03   0.01  -0.02     0.03   0.02  -0.01
    61   6     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.01  -0.01
    62   8     0.06  -0.04   0.05     0.06  -0.01  -0.09    -0.10  -0.06  -0.12
    63  15     0.07  -0.06   0.05     0.08  -0.02  -0.06    -0.03   0.00   0.04
    64   8     0.07  -0.03   0.04     0.05  -0.13   0.01    -0.09  -0.12   0.13
    65   8     0.08  -0.06   0.06     0.11  -0.02  -0.04     0.13   0.07   0.05
    66   6     0.03  -0.00   0.04    -0.07  -0.04  -0.04     0.07  -0.08   0.12
    67   6     0.01   0.01   0.05    -0.04  -0.06  -0.06     0.04  -0.04  -0.07
    68   6     0.04  -0.10  -0.04     0.02   0.01   0.10     0.06   0.07   0.04
    69   6    -0.01  -0.04  -0.01    -0.01   0.06   0.02     0.01   0.16  -0.01
    70   1    -0.01  -0.02  -0.02    -0.01   0.02   0.05     0.01  -0.00  -0.06
    71   1     0.02  -0.07   0.08    -0.01   0.04   0.10     0.01   0.01  -0.02
    72   1     0.06  -0.05   0.11    -0.02   0.02   0.05     0.01   0.01  -0.00
    73   1    -0.04  -0.06   0.19    -0.01   0.02   0.04     0.02   0.01  -0.08
    74   1     0.03   0.01  -0.32     0.03   0.04   0.04     0.00  -0.01   0.02
    75   1     0.06  -0.02  -0.22    -0.00   0.04   0.07     0.00   0.00  -0.00
    76   1     0.03  -0.08  -0.09    -0.03   0.01  -0.06    -0.03  -0.06  -0.13
    77   1     0.01  -0.05  -0.11    -0.03  -0.01  -0.06    -0.04  -0.06  -0.14
    78   1    -0.01  -0.01   0.05     0.01   0.03  -0.03    -0.02  -0.02  -0.03
    79   1    -0.02   0.05  -0.01    -0.03  -0.01   0.05     0.01  -0.01  -0.01
    80   1     0.04  -0.01  -0.05    -0.08  -0.00   0.04     0.02  -0.01  -0.01
    81   1     0.06  -0.03  -0.04    -0.06  -0.02  -0.02     0.01   0.00   0.01
    82   1     0.01  -0.00   0.02    -0.01  -0.03  -0.06    -0.00   0.01   0.02
    83   1    -0.05   0.12   0.06    -0.01  -0.04  -0.01    -0.01  -0.01   0.02
    84   1     0.03   0.02   0.01    -0.05  -0.00  -0.01    -0.01  -0.01  -0.00
    85   1     0.11  -0.10  -0.08    -0.06   0.03  -0.01    -0.00  -0.01  -0.02
    86   1     0.05  -0.08  -0.04    -0.01   0.02  -0.03     0.00   0.00  -0.01
    87   1    -0.01   0.03   0.09    -0.01  -0.03  -0.04     0.01   0.01  -0.01
    88   1    -0.08   0.03   0.10     0.01  -0.03  -0.03     0.02   0.02  -0.02
    89   1    -0.08   0.06   0.01     0.02  -0.04  -0.01     0.00   0.00   0.00
    90   1    -0.05   0.05  -0.08     0.02  -0.02   0.01    -0.01  -0.01   0.02
    91   1    -0.01   0.08   0.01     0.03  -0.06  -0.07    -0.01   0.00   0.03
    92   1    -0.09   0.04   0.02     0.09  -0.06  -0.03    -0.01   0.02  -0.00
    93   1    -0.11  -0.01   0.01     0.08  -0.05   0.04    -0.01   0.02  -0.02
    94   1    -0.05  -0.03  -0.05     0.03   0.00   0.07    -0.00  -0.00  -0.02
    95   1    -0.01  -0.00  -0.00    -0.02   0.00  -0.04    -0.02   0.01  -0.01
    96   1    -0.01  -0.03   0.04    -0.06   0.03  -0.07    -0.04   0.00   0.00
    97   1    -0.01  -0.01   0.04    -0.03  -0.00  -0.01    -0.03   0.00   0.04
    98   1    -0.03   0.02   0.01     0.02  -0.03   0.06    -0.01   0.01   0.05
    99   1    -0.01   0.05  -0.01     0.01  -0.04   0.03     0.03   0.05   0.03
   100   1     0.03   0.02   0.01    -0.04   0.01  -0.02     0.05   0.04  -0.00
   101   1     0.05  -0.02   0.03    -0.06   0.04  -0.04     0.03   0.02  -0.03
   102   1     0.01  -0.01   0.01    -0.01   0.02   0.00     0.00  -0.01  -0.02
   103   1     0.03  -0.01   0.01    -0.08   0.00  -0.16     0.08  -0.13   0.28
   104   1     0.03   0.01   0.05    -0.17  -0.01   0.05     0.22  -0.03   0.09
   105   1    -0.03   0.02   0.04    -0.23   0.09  -0.12     0.36  -0.07  -0.04
   106   1     0.02   0.03   0.09    -0.00  -0.13   0.17    -0.03   0.01  -0.42
   107   1     0.02  -0.00   0.03     0.12  -0.13  -0.24    -0.21  -0.04   0.07
   108   1    -0.03  -0.11  -0.13     0.08  -0.06   0.23     0.06   0.03   0.06
   109   1     0.12  -0.19  -0.06    -0.11   0.09   0.13     0.04   0.04   0.05
   110   1    -0.02  -0.09  -0.15    -0.13   0.11   0.23    -0.10   0.14  -0.03
   111   1     0.06  -0.07   0.11    -0.08   0.20  -0.18     0.02   0.22  -0.04
   112   1    -0.12   0.09   0.01     0.17  -0.09  -0.02     0.04   0.21  -0.03
   113  17    -0.10   0.24  -0.05    -0.07   0.11  -0.09     0.01   0.01   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    191.9347               206.0692               214.2588
 Red. masses --      5.2365                 6.5074                 3.5142
 Frc consts  --      0.1137                 0.1628                 0.0951
 IR Inten    --      6.9508                 1.7712                 4.1163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.02     0.01  -0.07   0.05    -0.03  -0.02  -0.03
     2   6     0.06   0.01   0.01     0.01  -0.07   0.10    -0.05  -0.03  -0.09
     3   6     0.07   0.02   0.02     0.01  -0.08   0.08    -0.05  -0.03  -0.07
     4   6     0.07   0.04   0.02     0.00  -0.09   0.02    -0.05  -0.03  -0.03
     5   6     0.04   0.04  -0.05     0.01  -0.09   0.01    -0.04  -0.03  -0.03
     6   6     0.02   0.02  -0.08     0.02  -0.09   0.03    -0.03  -0.02  -0.02
     7   6     0.07   0.02  -0.01     0.02  -0.09   0.07    -0.01  -0.03  -0.07
     8   6     0.07   0.02  -0.01     0.02  -0.10   0.02    -0.01  -0.02  -0.02
     9   6     0.06   0.02   0.01     0.03  -0.06  -0.05    -0.02  -0.01   0.02
    10   6     0.06   0.03   0.03     0.01  -0.06  -0.02    -0.04  -0.01   0.01
    11   6     0.08   0.02  -0.03     0.01  -0.06   0.06     0.00  -0.04  -0.08
    12   6     0.05   0.02  -0.01    -0.02  -0.05   0.04     0.00  -0.04  -0.06
    13   6     0.07   0.02  -0.02    -0.05  -0.09   0.11     0.02  -0.03  -0.09
    14   6     0.07   0.03  -0.03    -0.03  -0.11   0.09     0.01  -0.02  -0.06
    15   7     0.06   0.03   0.02     0.06   0.01  -0.04    -0.00   0.03   0.03
    16   6     0.04  -0.02  -0.06     0.06   0.01  -0.02    -0.02   0.04   0.01
    17   6     0.03  -0.04  -0.11     0.05   0.03   0.02    -0.04   0.04  -0.00
    18   7     0.04  -0.02  -0.06     0.02  -0.01   0.03    -0.05   0.01  -0.00
    19   6     0.04  -0.03  -0.08     0.05   0.00  -0.03    -0.03   0.04  -0.00
    20   6     0.04  -0.02  -0.06     0.05   0.01  -0.03    -0.04   0.03  -0.02
    21   6     0.02  -0.01  -0.06     0.04   0.02  -0.00    -0.04   0.03  -0.02
    22   6     0.02  -0.04  -0.13     0.05   0.04   0.03    -0.04   0.04  -0.02
    23   7    -0.00  -0.02   0.01     0.04  -0.01  -0.02    -0.00   0.01   0.02
    24   7     0.03   0.01   0.02    -0.01   0.00  -0.03    -0.03  -0.01   0.01
    25   7     0.02   0.03   0.01     0.03   0.01  -0.01    -0.01  -0.01   0.01
    26   6     0.01   0.01   0.02    -0.01   0.02  -0.03    -0.04   0.02   0.02
    27   6     0.02   0.01   0.01    -0.02   0.01  -0.01    -0.05   0.01   0.03
    28   6     0.02   0.00   0.02    -0.02   0.02  -0.02    -0.04   0.02   0.02
    29   6     0.01   0.01   0.01    -0.01   0.02  -0.02    -0.04   0.02   0.03
    30   6    -0.01  -0.02   0.02     0.04   0.01  -0.03     0.01   0.02   0.01
    31   6    -0.01  -0.02   0.01     0.05   0.01  -0.05     0.01   0.03   0.00
    32   6    -0.01  -0.02   0.02     0.05   0.02  -0.03     0.01   0.02  -0.00
    33   6    -0.01  -0.02   0.01     0.04   0.02  -0.05     0.01   0.02   0.01
    34   6     0.01   0.03   0.01     0.02  -0.00  -0.01     0.01  -0.03   0.03
    35   6     0.01   0.03   0.00     0.02   0.01  -0.00     0.01  -0.03   0.03
    36   6     0.01   0.02  -0.00     0.03  -0.00  -0.01     0.01  -0.03   0.03
    37   6     0.01   0.03   0.02     0.02   0.00  -0.00     0.01  -0.03   0.02
    38   6    -0.02  -0.05   0.05    -0.01   0.02  -0.03     0.01   0.02  -0.03
    39   6    -0.06  -0.07   0.02    -0.00   0.01  -0.04     0.06   0.01  -0.04
    40   6    -0.07  -0.06  -0.01    -0.01   0.02  -0.03     0.04   0.03   0.01
    41   6    -0.04  -0.01  -0.02    -0.01   0.02  -0.02    -0.01   0.03   0.06
    42   6    -0.06  -0.03   0.02     0.04   0.05  -0.03    -0.02   0.04   0.03
    43   6    -0.11  -0.03  -0.03     0.07   0.04   0.00     0.03   0.00   0.02
    44   6    -0.09  -0.01  -0.08     0.07   0.02   0.03     0.05  -0.04   0.01
    45   6    -0.03   0.02  -0.07     0.02   0.00   0.03     0.00  -0.03   0.03
    46   6    -0.01   0.02   0.02     0.01   0.04   0.06     0.01  -0.01  -0.01
    47   6    -0.02   0.04   0.00    -0.05   0.05   0.08     0.03  -0.04   0.00
    48   6    -0.03   0.03  -0.00    -0.05   0.07   0.01     0.04  -0.03   0.02
    49   6    -0.03   0.00   0.00    -0.01   0.05  -0.07     0.04   0.01   0.02
    50   6    -0.03  -0.01   0.03    -0.00   0.06  -0.01     0.01   0.03   0.00
    51   6    -0.04   0.01  -0.00    -0.08   0.04  -0.00     0.00   0.02   0.02
    52   6    -0.02   0.02  -0.04    -0.10  -0.01  -0.00    -0.00   0.01   0.03
    53   6    -0.02   0.00  -0.03    -0.04  -0.03  -0.05     0.00   0.02   0.02
    54   6    -0.03  -0.04  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
    55   6    -0.08  -0.06   0.02    -0.04  -0.05  -0.02     0.00   0.04  -0.03
    56   6    -0.09  -0.03   0.05    -0.04  -0.04   0.01     0.03   0.01  -0.01
    57   6    -0.05   0.02   0.06    -0.01  -0.01   0.02     0.03  -0.03   0.01
    58   6    -0.01   0.01   0.01    -0.03  -0.03  -0.01     0.02  -0.02   0.03
    59   6    -0.03   0.02   0.04    -0.07  -0.02   0.02     0.01  -0.01  -0.01
    60   6    -0.02   0.03   0.04    -0.06   0.01   0.04    -0.01   0.00  -0.04
    61   6    -0.01   0.04   0.03    -0.01   0.03   0.04    -0.00  -0.02  -0.02
    62   8     0.02   0.11   0.04    -0.06   0.24  -0.08     0.05   0.06   0.06
    63  15     0.03   0.01   0.01    -0.00   0.08  -0.03     0.04   0.01   0.01
    64   8     0.05  -0.04   0.01    -0.02  -0.07   0.02     0.07  -0.09   0.02
    65   8    -0.08  -0.03  -0.00    -0.03   0.08  -0.03    -0.01   0.02  -0.02
    66   6    -0.06   0.02  -0.02    -0.03  -0.03   0.01    -0.03  -0.02  -0.01
    67   6    -0.03  -0.00   0.01    -0.01  -0.04  -0.04    -0.04  -0.02  -0.02
    68   6    -0.03  -0.03  -0.02     0.01   0.12   0.00    -0.00   0.03   0.01
    69   6     0.00  -0.09   0.00     0.03   0.11  -0.02     0.01   0.03   0.00
    70   1     0.07  -0.00   0.03     0.01  -0.06   0.12    -0.06  -0.02  -0.12
    71   1     0.03   0.05  -0.08     0.01  -0.10  -0.01    -0.03  -0.04  -0.02
    72   1     0.00   0.02  -0.12     0.02  -0.09   0.01    -0.02  -0.02   0.01
    73   1     0.08   0.03  -0.03     0.02  -0.04   0.06    -0.00  -0.05  -0.07
    74   1     0.07   0.02  -0.01    -0.08  -0.10   0.15     0.03  -0.03  -0.10
    75   1     0.07   0.02  -0.04    -0.06  -0.15   0.11     0.01  -0.01  -0.03
    76   1     0.03  -0.03  -0.06     0.04  -0.01  -0.04    -0.03   0.04  -0.00
    77   1     0.05   0.00  -0.05     0.05   0.01  -0.05    -0.04   0.03  -0.03
    78   1     0.02  -0.05  -0.14     0.05   0.05   0.05    -0.04   0.04  -0.02
    79   1    -0.00  -0.08   0.10    -0.01   0.03  -0.03     0.01   0.02  -0.08
    80   1    -0.08  -0.10   0.03     0.00   0.01  -0.04     0.10  -0.01  -0.08
    81   1    -0.10  -0.07  -0.03    -0.00   0.02  -0.03     0.07   0.03   0.02
    82   1    -0.05   0.02  -0.07    -0.01   0.02  -0.01    -0.00   0.02   0.09
    83   1    -0.08  -0.08   0.07     0.04   0.09  -0.05    -0.02   0.07   0.02
    84   1    -0.14  -0.05  -0.03     0.10   0.05  -0.00     0.05   0.01   0.02
    85   1    -0.10  -0.01  -0.12     0.09   0.01   0.04     0.08  -0.07  -0.01
    86   1    -0.00   0.06  -0.12     0.00  -0.03   0.07     0.01  -0.07   0.03
    87   1     0.01   0.03   0.04     0.03   0.04   0.14    -0.01  -0.02  -0.04
    88   1    -0.01   0.07  -0.01    -0.09   0.04   0.15     0.03  -0.06   0.00
    89   1    -0.04   0.05  -0.01    -0.09   0.09   0.01     0.05  -0.04   0.03
    90   1    -0.05  -0.01  -0.01    -0.04   0.04  -0.12     0.06   0.02   0.03
    91   1    -0.03  -0.00   0.05     0.02   0.12   0.01     0.01   0.03  -0.00
    92   1    -0.04   0.02  -0.00    -0.11   0.05   0.02     0.00   0.02   0.02
    93   1    -0.02   0.04  -0.07    -0.15  -0.04   0.02    -0.01  -0.00   0.04
    94   1    -0.01  -0.00  -0.06    -0.06  -0.08  -0.08     0.00   0.01   0.02
    95   1    -0.01  -0.08  -0.07     0.01  -0.07  -0.07    -0.02   0.04   0.01
    96   1    -0.10  -0.09   0.01    -0.05  -0.06  -0.03    -0.01   0.07  -0.06
    97   1    -0.12  -0.04   0.08    -0.06  -0.04   0.02     0.03   0.02  -0.03
    98   1    -0.07   0.06   0.10    -0.03   0.02   0.05     0.05  -0.05   0.01
    99   1    -0.02  -0.01  -0.00    -0.03  -0.07  -0.03     0.03  -0.02   0.05
   100   1    -0.04   0.01   0.04    -0.09  -0.03   0.03     0.01   0.00  -0.02
   101   1    -0.03   0.03   0.06    -0.08   0.02   0.06    -0.03   0.02  -0.08
   102   1    -0.00   0.07   0.04    -0.00   0.07   0.07    -0.01  -0.02  -0.03
   103   1    -0.07   0.08  -0.14    -0.03  -0.01  -0.01    -0.04   0.00  -0.11
   104   1    -0.16   0.03   0.05    -0.04  -0.01   0.03    -0.10   0.01   0.06
   105   1    -0.27   0.12  -0.05    -0.04   0.03  -0.07    -0.40   0.21  -0.13
   106   1     0.02  -0.06   0.28    -0.01  -0.07   0.00     0.04  -0.08   0.39
   107   1     0.15  -0.06  -0.17     0.02  -0.07  -0.10     0.21  -0.16  -0.32
   108   1    -0.03  -0.00  -0.04     0.04   0.12   0.04     0.02   0.03   0.05
   109   1    -0.01  -0.03  -0.03    -0.02   0.15   0.01    -0.03   0.06   0.02
   110   1     0.07  -0.08  -0.01    -0.02   0.14   0.08    -0.03   0.06   0.11
   111   1    -0.00  -0.14   0.03    -0.01   0.17  -0.11    -0.03   0.09  -0.09
   112   1    -0.03  -0.09   0.01     0.10   0.03  -0.04     0.08  -0.07  -0.01
   113  17    -0.04  -0.04   0.13    -0.03  -0.05  -0.02     0.05  -0.02   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    227.3656               234.4108               245.2598
 Red. masses --      3.1538                 4.7683                 4.6911
 Frc consts  --      0.0961                 0.1544                 0.1663
 IR Inten    --      9.1008                 1.8026                 5.8107
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01  -0.03     0.05   0.05  -0.08    -0.05   0.02   0.07
     2   6     0.04   0.01  -0.05     0.03   0.06  -0.15    -0.00   0.02   0.15
     3   6     0.02   0.00  -0.02     0.00   0.03  -0.06     0.01   0.03   0.05
     4   6     0.03  -0.01  -0.01     0.02   0.01  -0.03     0.02   0.03   0.03
     5   6     0.05  -0.01  -0.00     0.05   0.01  -0.00    -0.03   0.03   0.01
     6   6     0.05   0.01   0.01     0.07   0.05  -0.01    -0.06   0.01  -0.00
     7   6    -0.01   0.01   0.03    -0.06   0.03   0.05     0.01   0.03  -0.06
     8   6    -0.01   0.01   0.03    -0.05   0.03   0.01     0.00   0.01  -0.07
     9   6    -0.01   0.01   0.04    -0.01  -0.01  -0.02     0.01  -0.03  -0.08
    10   6     0.01  -0.02   0.00     0.01   0.00   0.00     0.03   0.00  -0.01
    11   6    -0.02   0.00   0.05    -0.12   0.03   0.16     0.00   0.05  -0.11
    12   6    -0.00   0.01   0.01    -0.11   0.04   0.05    -0.04   0.03  -0.03
    13   6     0.01   0.02  -0.04    -0.08   0.06  -0.05    -0.06   0.02   0.01
    14   6     0.00   0.01  -0.01    -0.08   0.04  -0.02    -0.04   0.00  -0.04
    15   7    -0.03  -0.00   0.02     0.01  -0.00  -0.02     0.01  -0.04  -0.04
    16   6    -0.01  -0.05   0.02     0.01   0.01  -0.02     0.03  -0.08  -0.03
    17   6     0.00  -0.06   0.02     0.02   0.01  -0.01     0.04  -0.08  -0.01
    18   7     0.01  -0.06  -0.01     0.02   0.00   0.01     0.06  -0.03   0.01
    19   6    -0.01  -0.06   0.03     0.02   0.01  -0.01     0.04  -0.08   0.01
    20   6    -0.00  -0.07   0.03     0.02   0.02  -0.01     0.06  -0.08   0.06
    21   6     0.00  -0.06   0.04     0.02   0.02  -0.01     0.06  -0.07   0.05
    22   6     0.00  -0.07   0.04     0.02   0.01  -0.01     0.05  -0.09   0.02
    23   7     0.03  -0.02  -0.01     0.02   0.00  -0.01    -0.06   0.03   0.01
    24   7     0.00   0.00   0.00    -0.07  -0.01  -0.01    -0.04  -0.00   0.01
    25   7    -0.03  -0.01   0.02     0.03   0.01  -0.01     0.02  -0.01   0.03
    26   6     0.00  -0.00  -0.00    -0.03  -0.05  -0.06    -0.01  -0.04  -0.01
    27   6     0.01  -0.00  -0.00    -0.03  -0.09  -0.06    -0.02  -0.05  -0.02
    28   6     0.01  -0.01  -0.00    -0.03  -0.07  -0.08    -0.02  -0.04  -0.03
    29   6     0.00  -0.01  -0.00    -0.03  -0.07  -0.05    -0.02  -0.04  -0.00
    30   6     0.01  -0.03   0.02    -0.01  -0.04   0.04    -0.06   0.04  -0.03
    31   6     0.01  -0.05   0.02    -0.02  -0.06   0.05    -0.06   0.07  -0.02
    32   6     0.02  -0.04   0.03    -0.01  -0.06   0.05    -0.07   0.06  -0.04
    33   6     0.01  -0.04   0.01    -0.01  -0.05   0.04    -0.05   0.06  -0.02
    34   6    -0.05   0.02  -0.01     0.03   0.00  -0.01    -0.02   0.03  -0.02
    35   6    -0.06   0.01  -0.02     0.04   0.01  -0.01    -0.03   0.04  -0.04
    36   6    -0.06   0.02  -0.01     0.04   0.00  -0.01    -0.03   0.04  -0.05
    37   6    -0.05   0.01  -0.01     0.03   0.01  -0.01    -0.02   0.03  -0.03
    38   6    -0.00  -0.00   0.01    -0.03   0.05  -0.07    -0.00   0.02  -0.04
    39   6    -0.01  -0.00   0.01     0.01   0.11   0.00     0.03   0.06   0.01
    40   6    -0.00  -0.01  -0.00     0.06   0.03  -0.00     0.05   0.03   0.02
    41   6     0.00  -0.01  -0.01     0.05  -0.07  -0.02     0.03  -0.04   0.02
    42   6    -0.00  -0.01  -0.00     0.04  -0.02  -0.06     0.01  -0.03  -0.02
    43   6    -0.01  -0.00  -0.00     0.06   0.00   0.03     0.02  -0.02   0.02
    44   6    -0.01   0.00  -0.00     0.02   0.01   0.11    -0.01  -0.01   0.06
    45   6    -0.00   0.00  -0.01    -0.02  -0.06   0.06    -0.01  -0.04   0.04
    46   6     0.02   0.02   0.03     0.02   0.01   0.00    -0.07  -0.03  -0.06
    47   6    -0.00   0.06   0.00     0.02   0.05  -0.04    -0.03  -0.08  -0.04
    48   6    -0.03   0.03   0.01    -0.01   0.00   0.01     0.02  -0.04  -0.03
    49   6    -0.03  -0.03   0.01    -0.04  -0.05   0.05     0.01   0.04  -0.01
    50   6    -0.02  -0.01   0.03    -0.03  -0.04   0.06    -0.00  -0.01  -0.06
    51   6    -0.04   0.01  -0.01    -0.01  -0.00  -0.00     0.07  -0.03   0.00
    52   6    -0.03   0.01  -0.05     0.01   0.03  -0.06     0.07  -0.01   0.07
    53   6    -0.01  -0.03  -0.04    -0.00  -0.01  -0.02     0.02   0.06   0.07
    54   6    -0.01   0.04   0.04     0.01  -0.03  -0.03    -0.00  -0.00   0.00
    55   6     0.04   0.03   0.05    -0.02  -0.04  -0.02     0.02  -0.03   0.05
    56   6     0.02   0.03  -0.00    -0.03  -0.03   0.00    -0.02   0.01   0.00
    57   6    -0.02   0.02  -0.04    -0.00   0.01   0.01    -0.04   0.04  -0.04
    58   6    -0.01   0.05  -0.02    -0.00  -0.02  -0.00    -0.03   0.04  -0.04
    59   6     0.05   0.02  -0.02    -0.03  -0.00   0.02     0.01   0.02  -0.00
    60   6     0.07  -0.03  -0.01    -0.03   0.02   0.03     0.04  -0.02   0.05
    61   6     0.00  -0.04  -0.03     0.00   0.04   0.02     0.00   0.01   0.00
    62   8     0.03  -0.04   0.06     0.00   0.08  -0.02     0.01   0.07   0.02
    63  15    -0.01   0.02  -0.01     0.03   0.00   0.01     0.01   0.01   0.01
    64   8     0.02   0.01  -0.05     0.03  -0.04   0.03     0.03  -0.04   0.01
    65   8    -0.03   0.07  -0.08     0.03  -0.02   0.04     0.02   0.02   0.01
    66   6    -0.02  -0.01  -0.05     0.02  -0.01   0.02     0.02  -0.03   0.00
    67   6    -0.02  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    68   6     0.01   0.12  -0.00     0.01  -0.04   0.01     0.03   0.03   0.01
    69   6     0.02   0.11   0.00    -0.00  -0.02  -0.01     0.01   0.07  -0.01
    70   1     0.03   0.02  -0.06     0.01   0.08  -0.18     0.02  -0.01   0.21
    71   1     0.05  -0.02   0.02     0.06  -0.01   0.04    -0.05   0.07  -0.03
    72   1     0.07   0.01   0.04     0.10   0.05   0.06    -0.07   0.01  -0.08
    73   1    -0.02  -0.00   0.07    -0.13   0.03   0.23     0.03   0.08  -0.14
    74   1     0.02   0.03  -0.09    -0.07   0.09  -0.14    -0.09   0.00   0.07
    75   1     0.01   0.02  -0.03    -0.08   0.03  -0.05    -0.05  -0.02  -0.02
    76   1    -0.01  -0.06   0.02     0.03   0.01  -0.01     0.03  -0.08   0.01
    77   1    -0.01  -0.08   0.03     0.02   0.03   0.00     0.06  -0.08   0.08
    78   1     0.01  -0.07   0.04     0.01   0.02  -0.01     0.07  -0.09   0.02
    79   1    -0.01  -0.00   0.01    -0.07   0.11  -0.11    -0.02   0.05  -0.08
    80   1    -0.02   0.00   0.01    -0.01   0.20   0.04     0.03   0.11   0.02
    81   1    -0.01  -0.01  -0.00     0.10   0.05   0.02     0.08   0.04   0.04
    82   1     0.00  -0.01  -0.01     0.08  -0.13   0.02     0.05  -0.08   0.05
    83   1     0.00  -0.01  -0.00     0.07   0.01  -0.13     0.02  -0.02  -0.04
    84   1    -0.01  -0.00  -0.00     0.10   0.04   0.04     0.03  -0.01   0.03
    85   1    -0.01   0.01   0.00     0.01   0.05   0.19    -0.02   0.01   0.09
    86   1     0.00   0.00  -0.01    -0.04  -0.10   0.13    -0.03  -0.05   0.07
    87   1     0.06   0.04   0.05     0.04   0.03  -0.01    -0.12  -0.07  -0.10
    88   1     0.01   0.11  -0.01     0.05   0.11  -0.10    -0.03  -0.14  -0.03
    89   1    -0.06   0.05  -0.01    -0.02   0.01   0.00     0.06  -0.07  -0.02
    90   1    -0.07  -0.05  -0.01    -0.06  -0.08   0.05     0.06   0.07   0.02
    91   1    -0.01   0.00   0.07    -0.04  -0.05   0.08    -0.01  -0.06  -0.12
    92   1    -0.05   0.03  -0.01    -0.02   0.01  -0.01     0.11  -0.07  -0.01
    93   1    -0.03   0.03  -0.09     0.04   0.08  -0.12     0.10  -0.03   0.12
    94   1    -0.01  -0.05  -0.08     0.00  -0.01  -0.05     0.03   0.11   0.14
    95   1    -0.01   0.05   0.08     0.02  -0.05  -0.06     0.02  -0.02   0.01
    96   1     0.08   0.02   0.10    -0.04  -0.05  -0.03     0.05  -0.07   0.10
    97   1     0.05   0.03  -0.01    -0.05  -0.03   0.02    -0.02   0.00   0.01
    98   1    -0.02   0.01  -0.08    -0.01   0.03   0.04    -0.06   0.06  -0.05
    99   1    -0.01   0.11  -0.01    -0.01  -0.05  -0.02    -0.04   0.06  -0.06
   100   1     0.08   0.03  -0.02    -0.06  -0.02   0.02     0.01   0.01   0.00
   101   1     0.11  -0.07   0.01    -0.05   0.03   0.04     0.08  -0.05   0.10
   102   1     0.00  -0.09  -0.04     0.01   0.07   0.04     0.02  -0.01   0.02
   103   1    -0.02  -0.00  -0.08     0.02  -0.02   0.01     0.02  -0.05  -0.00
   104   1    -0.05  -0.01  -0.04     0.02   0.00   0.04     0.03  -0.02   0.01
   105   1    -0.19   0.07  -0.06    -0.11   0.08  -0.03    -0.24   0.14  -0.09
   106   1     0.02  -0.04   0.18     0.03  -0.01   0.13     0.04  -0.03   0.24
   107   1     0.10  -0.06  -0.14     0.06  -0.06  -0.10     0.12  -0.12  -0.21
   108   1     0.05   0.10   0.07    -0.01  -0.04  -0.01     0.03   0.02   0.01
   109   1    -0.05   0.20   0.01     0.02  -0.08   0.01     0.02   0.02   0.01
   110   1    -0.09   0.22   0.35     0.03  -0.08  -0.19    -0.04   0.05  -0.03
   111   1    -0.08   0.32  -0.28     0.04  -0.12   0.13     0.02   0.09  -0.02
   112   1     0.22  -0.19  -0.03    -0.09   0.14   0.01     0.02   0.10  -0.02
   113  17     0.01   0.00   0.00    -0.01  -0.01   0.04    -0.01   0.01   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --    251.8662               256.8815               264.2431
 Red. masses --      3.1059                 5.3897                 2.0514
 Frc consts  --      0.1161                 0.2095                 0.0844
 IR Inten    --      3.5017                 1.0233                 6.6119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00  -0.01     0.06  -0.01   0.07    -0.01   0.00  -0.03
     2   6     0.01   0.00   0.01     0.06   0.02   0.23    -0.00   0.00  -0.04
     3   6     0.01   0.00   0.01     0.04   0.02   0.11    -0.00  -0.00   0.00
     4   6     0.00   0.01   0.02     0.03   0.03   0.08     0.00   0.00   0.04
     5   6     0.01   0.00  -0.00     0.05   0.02   0.00    -0.00  -0.00   0.00
     6   6     0.02   0.00  -0.02     0.04   0.00  -0.06    -0.00  -0.00  -0.04
     7   6     0.01   0.01  -0.01     0.02   0.03  -0.08     0.00  -0.01   0.00
     8   6     0.00   0.00  -0.01    -0.00   0.01  -0.04    -0.00  -0.00   0.04
     9   6    -0.00  -0.01  -0.01    -0.01   0.01   0.02     0.00   0.00   0.07
    10   6    -0.01   0.00   0.01     0.01   0.03   0.04     0.01  -0.00   0.05
    11   6     0.01   0.01  -0.02     0.03   0.08  -0.23     0.01  -0.01  -0.04
    12   6     0.01   0.01   0.01    -0.04   0.05  -0.10    -0.00  -0.01  -0.03
    13   6    -0.00   0.00   0.02    -0.06   0.04  -0.02     0.00   0.00  -0.02
    14   6     0.00  -0.00   0.00    -0.04   0.02  -0.04    -0.00   0.00   0.01
    15   7     0.00  -0.01  -0.04    -0.01   0.01   0.03     0.03   0.00   0.03
    16   6    -0.01   0.01  -0.02    -0.03   0.03   0.01     0.02  -0.01   0.00
    17   6    -0.02   0.01  -0.01    -0.02   0.03  -0.01     0.00  -0.02  -0.00
    18   7    -0.02   0.01   0.01    -0.01   0.04   0.03    -0.00  -0.02   0.03
    19   6    -0.03  -0.00   0.03    -0.02   0.05   0.00     0.01  -0.02   0.00
    20   6    -0.02  -0.00   0.05    -0.04   0.05  -0.03     0.01  -0.02   0.01
    21   6    -0.04  -0.02   0.03    -0.04   0.03  -0.05    -0.00  -0.02  -0.00
    22   6    -0.03  -0.00   0.01    -0.04   0.03  -0.06    -0.00  -0.03  -0.02
    23   7     0.02  -0.01  -0.01     0.05  -0.04  -0.01    -0.01   0.01  -0.00
    24   7     0.01   0.01   0.01    -0.05  -0.01   0.01    -0.01  -0.01  -0.01
    25   7    -0.06  -0.03   0.03    -0.02   0.01  -0.02    -0.01  -0.01   0.01
    26   6     0.02   0.00   0.00    -0.03  -0.04   0.00    -0.02  -0.00   0.00
    27   6     0.02   0.01   0.00    -0.03  -0.06  -0.00    -0.03  -0.01   0.01
    28   6     0.02   0.00   0.01    -0.04  -0.05  -0.02    -0.03  -0.01  -0.00
    29   6     0.02   0.01   0.00    -0.04  -0.05   0.01    -0.02  -0.01   0.00
    30   6     0.01  -0.01   0.00     0.05  -0.05  -0.01    -0.01   0.00   0.01
    31   6     0.01  -0.02   0.00     0.05  -0.07  -0.03    -0.01   0.01   0.01
    32   6     0.01  -0.02   0.01     0.07  -0.06  -0.00    -0.01   0.01   0.01
    33   6     0.01  -0.02   0.00     0.05  -0.06  -0.02    -0.01   0.01   0.01
    34   6    -0.07  -0.02   0.02     0.01  -0.01   0.02    -0.01  -0.00   0.01
    35   6    -0.08  -0.04   0.01     0.01  -0.02   0.03    -0.02  -0.00   0.00
    36   6    -0.08  -0.02   0.03     0.01  -0.02   0.03    -0.02   0.00   0.01
    37   6    -0.07  -0.03   0.01     0.00  -0.01   0.02    -0.01  -0.00   0.00
    38   6     0.01  -0.01   0.02     0.00   0.02  -0.05    -0.01   0.01  -0.03
    39   6    -0.01  -0.01   0.01     0.05   0.07   0.00     0.02   0.02  -0.02
    40   6    -0.01  -0.01   0.00     0.07   0.04   0.04     0.02   0.02   0.01
    41   6     0.00   0.00  -0.01     0.03  -0.04   0.05    -0.00  -0.00   0.02
    42   6     0.00  -0.01   0.00    -0.01  -0.04  -0.00    -0.01   0.00   0.00
    43   6    -0.01  -0.00  -0.01     0.00  -0.04   0.03     0.01  -0.01   0.01
    44   6    -0.01   0.01  -0.01    -0.01  -0.04   0.07     0.01  -0.02   0.02
    45   6     0.01   0.02  -0.01    -0.02  -0.06   0.05    -0.01  -0.02   0.02
    46   6     0.01   0.01   0.02     0.04   0.03   0.08    -0.01  -0.00  -0.01
    47   6     0.00   0.02   0.01    -0.02   0.09   0.05     0.01  -0.01  -0.01
    48   6    -0.01   0.01   0.00    -0.06   0.07  -0.00     0.01  -0.01   0.00
    49   6    -0.01  -0.01  -0.00    -0.03  -0.02  -0.04     0.00   0.00   0.02
    50   6    -0.00  -0.00   0.01     0.01  -0.01   0.00    -0.01   0.00   0.01
    51   6    -0.02   0.00  -0.00    -0.05  -0.02  -0.03     0.00   0.01   0.01
    52   6    -0.02  -0.00  -0.02    -0.06  -0.04  -0.07     0.01   0.02   0.00
    53   6    -0.00  -0.02  -0.02    -0.01  -0.07  -0.08     0.00   0.02   0.01
    54   6    -0.03   0.06   0.07    -0.00   0.01   0.01    -0.01   0.01   0.01
    55   6     0.04   0.08   0.04    -0.02   0.02  -0.02     0.00   0.01   0.01
    56   6     0.05   0.05  -0.01     0.01   0.00   0.00     0.00   0.01   0.00
    57   6    -0.00  -0.02  -0.03     0.02  -0.02   0.03    -0.01   0.00  -0.00
    58   6    -0.01   0.02   0.01     0.02  -0.02   0.03    -0.00   0.01   0.00
    59   6     0.05  -0.01  -0.03     0.01  -0.00   0.00     0.01   0.00  -0.01
    60   6     0.05  -0.06  -0.06    -0.01   0.01  -0.03     0.01  -0.01  -0.01
    61   6    -0.02  -0.08  -0.05    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    62   8    -0.02   0.16  -0.11     0.01  -0.07   0.03    -0.00   0.13  -0.07
    63  15     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.04   0.01  -0.02
    64   8     0.03  -0.01  -0.02    -0.00   0.00   0.01     0.02   0.01   0.01
    65   8     0.07  -0.04   0.05    -0.01   0.00  -0.01     0.01  -0.03  -0.02
    66   6     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.04   0.06  -0.01
    67   6    -0.00  -0.01  -0.00     0.00   0.01   0.01     0.00   0.03   0.03
    68   6     0.02  -0.05   0.05    -0.01  -0.00  -0.01     0.01  -0.05  -0.07
    69   6    -0.00  -0.00  -0.01    -0.00  -0.02   0.01    -0.01  -0.05   0.00
    70   1     0.01   0.01   0.02     0.07   0.03   0.32    -0.01  -0.00  -0.05
    71   1     0.02  -0.01  -0.01     0.05   0.00  -0.05    -0.00  -0.00   0.01
    72   1     0.01   0.00  -0.04     0.00  -0.01  -0.20    -0.00  -0.01  -0.06
    73   1     0.01   0.02  -0.03     0.08   0.14  -0.30     0.02   0.00  -0.05
    74   1    -0.01  -0.00   0.04    -0.09   0.02   0.07     0.02   0.00  -0.02
    75   1    -0.00  -0.00   0.01    -0.06  -0.02   0.00    -0.01  -0.01   0.03
    76   1    -0.04   0.00   0.03    -0.01   0.05   0.02     0.02  -0.02   0.01
    77   1    -0.01   0.01   0.07    -0.03   0.06  -0.02     0.02  -0.01   0.02
    78   1    -0.00  -0.01  -0.00    -0.06   0.02  -0.07    -0.00  -0.04  -0.03
    79   1     0.01  -0.02   0.03    -0.02   0.06  -0.12    -0.01   0.02  -0.05
    80   1    -0.02  -0.02   0.02     0.06   0.12   0.00     0.03   0.02  -0.03
    81   1    -0.02  -0.01  -0.00     0.11   0.06   0.07     0.03   0.02   0.02
    82   1    -0.00   0.01  -0.02     0.06  -0.10   0.09     0.00  -0.02   0.04
    83   1     0.00  -0.02   0.01     0.00  -0.03  -0.02    -0.01   0.02  -0.01
    84   1    -0.02  -0.01  -0.01     0.03  -0.03   0.03     0.02  -0.00   0.01
    85   1    -0.02   0.02  -0.02    -0.02  -0.02   0.09     0.02  -0.03   0.02
    86   1     0.01   0.03  -0.02    -0.03  -0.07   0.07    -0.01  -0.04   0.03
    87   1     0.03   0.02   0.03     0.10   0.05   0.15    -0.02  -0.01  -0.03
    88   1     0.00   0.04   0.01    -0.04   0.13   0.08     0.02  -0.01  -0.03
    89   1    -0.02   0.02   0.00    -0.11   0.11  -0.02     0.02  -0.02   0.01
    90   1    -0.02  -0.02  -0.01    -0.09  -0.06  -0.09     0.01   0.01   0.03
    91   1     0.00   0.01   0.02     0.03   0.02   0.03    -0.01  -0.01   0.01
    92   1    -0.03   0.01   0.00    -0.09   0.01  -0.01     0.01   0.00   0.01
    93   1    -0.02   0.01  -0.04    -0.09  -0.04  -0.08     0.02   0.02  -0.00
    94   1    -0.01  -0.03  -0.04    -0.02  -0.11  -0.13     0.00   0.02   0.01
    95   1    -0.05   0.11   0.13    -0.01   0.02   0.00    -0.01   0.02   0.02
    96   1     0.07   0.11   0.05    -0.04   0.05  -0.05     0.01   0.01   0.02
    97   1     0.09   0.06  -0.04     0.01   0.00   0.00     0.01   0.01   0.00
    98   1     0.02  -0.07  -0.08     0.03  -0.03   0.03    -0.01  -0.00  -0.01
    99   1    -0.00   0.09   0.04     0.03  -0.02   0.04    -0.00   0.03   0.01
   100   1     0.10   0.02  -0.04     0.01   0.00   0.00     0.02   0.01  -0.01
   101   1     0.08  -0.08  -0.08    -0.03   0.03  -0.07     0.02  -0.01  -0.01
   102   1    -0.03  -0.15  -0.08    -0.01  -0.01  -0.02    -0.01  -0.03  -0.02
   103   1     0.02  -0.04  -0.02     0.00   0.01   0.02    -0.05   0.09  -0.07
   104   1     0.04  -0.02  -0.02     0.01   0.01   0.01    -0.11   0.06   0.02
   105   1    -0.11   0.03  -0.02     0.01   0.00   0.01     0.33  -0.21   0.14
   106   1     0.02   0.00   0.10     0.00   0.01  -0.00    -0.07   0.05  -0.32
   107   1     0.04  -0.04  -0.07    -0.00   0.01   0.01    -0.17   0.19   0.32
   108   1     0.02  -0.06   0.05    -0.01  -0.00  -0.01    -0.03  -0.05  -0.12
   109   1     0.01  -0.07   0.06    -0.01  -0.00  -0.01     0.06  -0.08  -0.08
   110   1     0.07  -0.15  -0.46    -0.00   0.01   0.08    -0.09   0.07   0.35
   111   1     0.10  -0.23   0.30    -0.02   0.01  -0.04    -0.07   0.16  -0.23
   112   1    -0.20   0.41   0.01     0.03  -0.10   0.00     0.12  -0.36  -0.01
   113  17    -0.01  -0.00   0.01     0.02   0.02  -0.03    -0.00   0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    273.9981               283.9860               285.2701
 Red. masses --      2.3555                 3.7669                 3.4561
 Frc consts  --      0.1042                 0.1790                 0.1657
 IR Inten    --      9.2436                 3.5221                22.2705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.02    -0.01  -0.00  -0.08     0.00   0.01  -0.03
     2   6    -0.01  -0.01  -0.03    -0.00  -0.00  -0.06     0.01   0.01  -0.01
     3   6    -0.01  -0.01   0.01     0.00  -0.01   0.03     0.02   0.00   0.01
     4   6    -0.00  -0.00   0.03     0.01   0.01   0.13     0.02   0.01   0.05
     5   6    -0.00  -0.01   0.01     0.00  -0.00   0.03     0.01   0.01   0.01
     6   6    -0.01  -0.01  -0.03    -0.01  -0.01  -0.12     0.00   0.01  -0.05
     7   6    -0.01  -0.01   0.01     0.01  -0.02   0.01     0.02  -0.00  -0.01
     8   6    -0.01   0.00   0.07     0.00  -0.03  -0.01     0.02  -0.03  -0.08
     9   6    -0.02   0.03   0.11    -0.00  -0.04   0.00     0.02  -0.05  -0.11
    10   6     0.00   0.00   0.06     0.01   0.01   0.13     0.01   0.01   0.03
    11   6     0.01  -0.02  -0.06     0.02  -0.03   0.00    -0.00  -0.00   0.06
    12   6     0.02  -0.02  -0.05     0.01  -0.03   0.01    -0.01   0.00   0.04
    13   6     0.03   0.00  -0.04    -0.00  -0.05   0.03    -0.03  -0.03   0.02
    14   6     0.01   0.01   0.03     0.00  -0.04   0.01    -0.00  -0.04  -0.04
    15   7    -0.01   0.02   0.05    -0.01  -0.04  -0.02     0.00  -0.04  -0.05
    16   6     0.01  -0.02   0.02     0.00  -0.06  -0.02     0.00  -0.02  -0.04
    17   6     0.01  -0.04   0.01    -0.01  -0.05  -0.01    -0.01  -0.01  -0.02
    18   7    -0.00  -0.04   0.02     0.02   0.03   0.18     0.03   0.05   0.10
    19   6     0.01  -0.03   0.00     0.03  -0.02   0.01     0.02   0.01   0.00
    20   6     0.02  -0.03   0.00     0.02   0.02   0.02     0.01   0.04   0.01
    21   6     0.03  -0.02   0.00    -0.02  -0.02  -0.08    -0.03   0.01  -0.05
    22   6     0.01  -0.04  -0.01    -0.05  -0.08  -0.13    -0.04  -0.02  -0.09
    23   7     0.00   0.00  -0.00     0.00   0.02  -0.02    -0.00   0.01  -0.01
    24   7     0.00  -0.03  -0.03     0.01  -0.01  -0.01    -0.01   0.02   0.02
    25   7     0.03   0.00   0.00    -0.02   0.02  -0.03    -0.04   0.02  -0.03
    26   6    -0.03   0.00   0.01     0.00   0.00  -0.00     0.02  -0.01  -0.02
    27   6    -0.04   0.01   0.02    -0.00   0.01   0.00     0.03  -0.01  -0.02
    28   6    -0.04   0.01   0.01     0.00   0.01   0.01     0.02  -0.00  -0.01
    29   6    -0.02  -0.01   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    30   6     0.00  -0.00   0.01    -0.01   0.00   0.02    -0.02   0.00   0.01
    31   6     0.00  -0.00   0.01    -0.02   0.00   0.04    -0.02   0.01   0.02
    32   6     0.00  -0.00   0.01    -0.02   0.01   0.02    -0.02   0.01   0.01
    33   6     0.00  -0.00   0.01    -0.01   0.02   0.01    -0.01   0.02   0.00
    34   6     0.02   0.01  -0.01     0.01   0.00   0.02    -0.02  -0.00   0.01
    35   6     0.02   0.03  -0.01     0.03  -0.00   0.03    -0.01  -0.02   0.03
    36   6     0.02   0.02  -0.03     0.03  -0.00   0.02    -0.00  -0.02   0.04
    37   6     0.02   0.02  -0.01     0.01   0.01   0.01    -0.01  -0.01   0.02
    38   6    -0.00   0.01  -0.03     0.00  -0.00   0.00    -0.00   0.00   0.02
    39   6     0.03   0.00  -0.03    -0.00  -0.01  -0.01    -0.02   0.00   0.01
    40   6     0.01   0.02   0.01    -0.01  -0.00  -0.00    -0.00  -0.02  -0.02
    41   6    -0.01   0.01   0.03    -0.01   0.01  -0.00     0.01  -0.00  -0.02
    42   6    -0.03   0.02   0.02     0.00   0.01   0.00     0.02  -0.01  -0.02
    43   6     0.00  -0.01   0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    44   6     0.02  -0.04   0.00     0.01   0.00  -0.01    -0.01   0.03   0.01
    45   6    -0.01  -0.02   0.02     0.00   0.01  -0.00     0.01   0.00  -0.01
    46   6     0.01   0.00   0.00    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
    47   6     0.01   0.00  -0.00     0.02  -0.01  -0.02     0.00  -0.01  -0.01
    48   6     0.01  -0.00   0.01     0.02  -0.02   0.02     0.01  -0.01   0.00
    49   6     0.00  -0.00   0.01     0.01  -0.00   0.03     0.00   0.00   0.01
    50   6    -0.00   0.00   0.01    -0.02   0.00   0.03    -0.01  -0.00   0.01
    51   6    -0.01   0.01   0.01    -0.01   0.02   0.02     0.00   0.01   0.01
    52   6    -0.00   0.01  -0.00     0.00   0.04  -0.00     0.01   0.02   0.01
    53   6    -0.00   0.00  -0.00    -0.00   0.02   0.02    -0.00   0.02   0.02
    54   6     0.01  -0.02  -0.03     0.00  -0.00  -0.01    -0.01   0.01   0.03
    55   6    -0.00  -0.04  -0.00    -0.03   0.01  -0.02    -0.02   0.04  -0.01
    56   6    -0.02  -0.01   0.01    -0.01  -0.00   0.02     0.00   0.01   0.01
    57   6    -0.01   0.02  -0.00     0.01   0.00   0.03     0.01  -0.02   0.03
    58   6     0.00   0.01  -0.01     0.03  -0.00   0.03     0.01  -0.00   0.03
    59   6    -0.01   0.01   0.01     0.02   0.01   0.01     0.02  -0.01   0.00
    60   6    -0.00   0.02   0.03    -0.00   0.03  -0.02     0.00  -0.00  -0.04
    61   6     0.01   0.03   0.02     0.01   0.01   0.00    -0.01  -0.02  -0.02
    62   8     0.02  -0.02   0.00    -0.07  -0.02  -0.06     0.09   0.01   0.18
    63  15    -0.01   0.01  -0.04    -0.05  -0.00  -0.01     0.01  -0.01   0.03
    64   8     0.01   0.03  -0.07    -0.04   0.07  -0.03     0.02  -0.07   0.02
    65   8    -0.01   0.01  -0.03    -0.00   0.01   0.01    -0.01   0.02  -0.00
    66   6    -0.05  -0.00  -0.08     0.11  -0.03   0.02    -0.14  -0.01  -0.03
    67   6    -0.02  -0.03  -0.03     0.03   0.03   0.03    -0.04  -0.07  -0.08
    68   6    -0.01   0.06   0.09     0.01   0.01  -0.02     0.02   0.05   0.04
    69   6     0.01   0.05   0.00     0.00   0.02  -0.00     0.01   0.08  -0.01
    70   1    -0.01  -0.01  -0.04    -0.01  -0.00  -0.09     0.01   0.00  -0.02
    71   1    -0.00  -0.01   0.01     0.00  -0.01   0.04     0.01   0.02   0.01
    72   1    -0.00  -0.01  -0.04    -0.01  -0.02  -0.20    -0.00   0.00  -0.09
    73   1     0.02  -0.02  -0.09     0.01  -0.03   0.00    -0.01  -0.01   0.10
    74   1     0.07   0.00  -0.05    -0.01  -0.05   0.05    -0.06  -0.03   0.03
    75   1     0.01   0.02   0.04     0.00  -0.04   0.00    -0.00  -0.05  -0.04
    76   1     0.02  -0.03   0.01     0.07   0.01   0.07     0.04   0.03   0.04
    77   1     0.01  -0.04   0.01     0.05   0.08   0.10     0.03   0.09   0.07
    78   1     0.00  -0.05  -0.01    -0.09  -0.09  -0.15    -0.05  -0.02  -0.09
    79   1    -0.00   0.01  -0.06     0.00  -0.01   0.01    -0.01   0.01   0.04
    80   1     0.05  -0.01  -0.06     0.00  -0.02  -0.01    -0.03   0.01   0.03
    81   1     0.02   0.03   0.03    -0.01  -0.00  -0.01    -0.00  -0.03  -0.03
    82   1    -0.01   0.00   0.06    -0.01   0.02  -0.01     0.01  -0.00  -0.03
    83   1    -0.03   0.04   0.01    -0.00   0.01   0.01     0.02  -0.02  -0.02
    84   1     0.02  -0.00   0.01     0.00   0.01  -0.00    -0.01   0.02   0.00
    85   1     0.05  -0.07  -0.02     0.01  -0.01  -0.02    -0.03   0.05   0.03
    86   1    -0.01  -0.04   0.02     0.00   0.01  -0.00     0.01   0.01  -0.01
    87   1     0.01   0.00  -0.00    -0.01   0.00  -0.04    -0.02  -0.00  -0.03
    88   1     0.01   0.00  -0.01     0.04  -0.00  -0.05     0.01  -0.01  -0.03
    89   1     0.01  -0.00   0.01     0.03  -0.03   0.03     0.01  -0.02   0.01
    90   1     0.01  -0.00   0.01     0.02   0.01   0.05     0.01   0.01   0.03
    91   1     0.00   0.01   0.01    -0.02   0.00   0.03    -0.01  -0.01   0.00
    92   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.01   0.00   0.00
    93   1    -0.01   0.01  -0.01     0.02   0.06  -0.03     0.02   0.03  -0.00
    94   1     0.00  -0.00  -0.01     0.00   0.03   0.00     0.00   0.03   0.02
    95   1     0.03  -0.04  -0.05     0.00  -0.01  -0.02    -0.02   0.03   0.04
    96   1    -0.00  -0.06   0.01    -0.05   0.01  -0.04    -0.03   0.06  -0.04
    97   1    -0.03  -0.02   0.02    -0.02  -0.01   0.03     0.01   0.02  -0.01
    98   1    -0.02   0.05   0.01     0.01   0.01   0.06     0.02  -0.04   0.03
    99   1    -0.00  -0.01  -0.03     0.03  -0.00   0.03     0.02   0.01   0.05
   100   1    -0.03   0.00   0.01     0.02   0.01   0.01     0.05  -0.00   0.01
   101   1    -0.00   0.02   0.05    -0.02   0.05  -0.05    -0.01   0.01  -0.07
   102   1     0.02   0.05   0.03     0.00   0.02  -0.01    -0.02  -0.03  -0.04
   103   1    -0.06   0.02  -0.12     0.12  -0.10   0.15    -0.15   0.08  -0.17
   104   1    -0.11  -0.02  -0.07     0.24  -0.04  -0.07    -0.27   0.00   0.05
   105   1     0.11  -0.14   0.02    -0.35   0.22  -0.07     0.34  -0.22   0.01
   106   1    -0.05  -0.04  -0.17     0.11   0.06   0.42    -0.13  -0.13  -0.46
   107   1    -0.07   0.05   0.09     0.20  -0.12  -0.24    -0.21   0.05   0.16
   108   1     0.05   0.04   0.18    -0.00   0.01  -0.04     0.05   0.05   0.07
   109   1    -0.11   0.13   0.11     0.03  -0.01  -0.02    -0.02   0.07   0.05
   110   1     0.12  -0.10  -0.45    -0.03   0.04   0.07    -0.01   0.03  -0.12
   111   1     0.09  -0.22   0.30    -0.01   0.07  -0.06     0.04   0.04   0.04
   112   1    -0.16   0.46   0.02     0.03  -0.04  -0.01    -0.00   0.20  -0.02
   113  17     0.00   0.01  -0.01    -0.00   0.04  -0.07     0.01   0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --    294.4701               294.9728               295.1844
 Red. masses --      4.9989                 4.7722                 4.7513
 Frc consts  --      0.2554                 0.2446                 0.2439
 IR Inten    --      6.4547                 4.4969                 0.0304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.01    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     2   6    -0.01   0.03   0.02    -0.01  -0.01  -0.02     0.00  -0.00  -0.00
     3   6    -0.03   0.01   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.00
     4   6    -0.02  -0.02   0.01     0.00   0.01   0.00     0.00   0.01  -0.00
     5   6     0.01  -0.03   0.01    -0.02   0.01   0.00    -0.00   0.01  -0.00
     6   6     0.03  -0.01  -0.01    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.03   0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.04  -0.00   0.02     0.01   0.00  -0.01     0.01  -0.00  -0.02
     9   6    -0.03  -0.03   0.01     0.00   0.01  -0.01     0.01  -0.00  -0.02
    10   6    -0.03  -0.04   0.00     0.01   0.02   0.01     0.00   0.01  -0.00
    11   6    -0.01   0.03  -0.07    -0.00  -0.01   0.02     0.00  -0.00   0.02
    12   6    -0.00   0.03  -0.04    -0.00  -0.00   0.01     0.00  -0.00   0.01
    13   6    -0.01   0.01  -0.04     0.00  -0.00   0.01    -0.00  -0.01   0.01
    14   6    -0.03   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    15   7    -0.03  -0.04  -0.03     0.00   0.00   0.00     0.00   0.00  -0.01
    16   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.02  -0.02   0.02     0.00  -0.00  -0.01    -0.00   0.01  -0.00
    18   7    -0.04  -0.05  -0.00     0.01   0.02   0.02     0.01   0.01   0.00
    19   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.03   0.02     0.00  -0.01   0.01    -0.00  -0.00   0.00
    21   6     0.00   0.03   0.03     0.00  -0.02  -0.01    -0.01  -0.00  -0.00
    22   6    -0.01   0.02   0.07     0.00  -0.02  -0.03    -0.00  -0.00  -0.01
    23   7     0.02   0.03  -0.03    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    24   7     0.02   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   7     0.01   0.01  -0.02     0.00  -0.01   0.01    -0.01  -0.00  -0.00
    26   6     0.11  -0.09  -0.08    -0.00  -0.00  -0.01    -0.05   0.07   0.06
    27   6     0.10  -0.06  -0.06    -0.00  -0.00  -0.01    -0.04   0.05   0.05
    28   6    -0.02   0.08   0.10    -0.01   0.00  -0.00     0.04  -0.05  -0.06
    29   6    -0.06   0.11   0.11    -0.00   0.00  -0.00     0.05  -0.07  -0.07
    30   6    -0.01  -0.00   0.00     0.09   0.12  -0.15    -0.01  -0.01   0.01
    31   6    -0.02  -0.02   0.02     0.07   0.09  -0.12    -0.00  -0.01   0.01
    32   6    -0.01  -0.02   0.02    -0.05  -0.08   0.11     0.01   0.01  -0.01
    33   6    -0.00  -0.00   0.00    -0.08  -0.11   0.16     0.01   0.01  -0.02
    34   6     0.08  -0.05   0.06     0.01  -0.01   0.02     0.08  -0.08   0.14
    35   6     0.07  -0.03   0.05     0.00  -0.01   0.01     0.06  -0.07   0.10
    36   6    -0.01   0.03  -0.07    -0.01   0.01  -0.01    -0.08   0.06  -0.09
    37   6    -0.03   0.05  -0.09    -0.01   0.01  -0.02    -0.10   0.08  -0.13
    38   6    -0.05   0.08   0.13    -0.01   0.01  -0.00     0.05  -0.06  -0.06
    39   6     0.05  -0.06  -0.01    -0.00   0.00  -0.01    -0.03   0.03   0.03
    40   6     0.07  -0.09  -0.05    -0.00  -0.00  -0.01    -0.05   0.06   0.05
    41   6    -0.03   0.07   0.08    -0.00   0.00  -0.00     0.03  -0.04  -0.05
    42   6     0.06  -0.08  -0.04     0.00   0.00  -0.01    -0.03   0.04   0.04
    43   6    -0.08   0.08   0.07     0.00   0.00   0.00     0.05  -0.06  -0.05
    44   6    -0.05   0.05   0.01     0.00   0.00   0.01     0.02  -0.03  -0.02
    45   6     0.09  -0.07  -0.11     0.00  -0.01   0.00    -0.05   0.07   0.06
    46   6    -0.00  -0.00  -0.00    -0.07  -0.11   0.14     0.01   0.01  -0.01
    47   6     0.01   0.02  -0.02     0.04   0.04  -0.05    -0.00  -0.01   0.01
    48   6    -0.01  -0.00   0.00     0.08   0.10  -0.12    -0.01  -0.01   0.01
    49   6    -0.01  -0.02   0.02    -0.04  -0.07   0.10     0.01   0.01  -0.01
    50   6    -0.01  -0.02   0.02     0.06   0.08  -0.11    -0.00  -0.00   0.01
    51   6    -0.00  -0.01   0.00    -0.07  -0.10   0.12     0.01   0.01  -0.01
    52   6     0.01   0.01  -0.02    -0.04  -0.06   0.07     0.00   0.00  -0.00
    53   6    -0.00  -0.00   0.00     0.08   0.11  -0.14    -0.01  -0.01   0.01
    54   6    -0.03   0.02  -0.10    -0.01   0.01  -0.01    -0.09   0.09  -0.12
    55   6     0.03  -0.04   0.00     0.00  -0.00   0.01     0.04  -0.03   0.06
    56   6     0.05  -0.06   0.05     0.01  -0.01   0.02     0.08  -0.07   0.11
    57   6    -0.02   0.03  -0.06    -0.01   0.01  -0.01    -0.06   0.05  -0.09
    58   6     0.04  -0.05   0.04     0.01   0.00   0.01     0.06  -0.05   0.09
    59   6    -0.06   0.04  -0.05    -0.00   0.01  -0.01    -0.07   0.07  -0.11
    60   6    -0.04   0.04  -0.02     0.00   0.00  -0.01    -0.03   0.03  -0.06
    61   6     0.06  -0.02   0.09     0.01  -0.01   0.01     0.08  -0.09   0.12
    62   8    -0.01   0.07   0.01     0.00  -0.01   0.00     0.01  -0.00   0.01
    63  15    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    64   8     0.00   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    65   8     0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   6    -0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
    67   6    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01  -0.01
    68   6     0.03  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    69   6     0.00   0.03  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    70   1    -0.02   0.05   0.02    -0.00  -0.03  -0.02     0.00  -0.01  -0.00
    71   1     0.02  -0.06   0.01    -0.02   0.02   0.00    -0.00   0.01  -0.00
    72   1     0.05  -0.01  -0.02    -0.03  -0.00  -0.01    -0.01   0.00   0.00
    73   1    -0.00   0.03  -0.09    -0.01  -0.01   0.03    -0.00  -0.01   0.02
    74   1    -0.03   0.02  -0.05     0.00  -0.00   0.01    -0.01  -0.01   0.02
    75   1    -0.03   0.01   0.01     0.00   0.00  -0.01     0.01  -0.00  -0.01
    76   1     0.01  -0.01  -0.02    -0.01  -0.00   0.01    -0.01   0.00   0.01
    77   1    -0.00   0.03   0.02     0.00  -0.01   0.02    -0.00   0.00  -0.00
    78   1    -0.03   0.03   0.09     0.01  -0.02  -0.03     0.01   0.00  -0.01
    79   1    -0.06   0.09   0.16    -0.01   0.01  -0.00     0.06  -0.08  -0.08
    80   1     0.10  -0.15  -0.08    -0.00   0.00  -0.01    -0.07   0.09   0.08
    81   1     0.15  -0.22  -0.17     0.00  -0.00  -0.01    -0.11   0.14   0.12
    82   1    -0.03   0.07   0.06    -0.00   0.00  -0.00     0.03  -0.04  -0.05
    83   1     0.05  -0.10  -0.02     0.00   0.01  -0.01    -0.03   0.04   0.04
    84   1    -0.20   0.19   0.18     0.00   0.01   0.01     0.11  -0.14  -0.13
    85   1    -0.12   0.13   0.07     0.00   0.01   0.01     0.06  -0.07  -0.07
    86   1     0.12  -0.07  -0.17    -0.00  -0.01   0.00    -0.07   0.09   0.09
    87   1     0.00   0.00  -0.00    -0.10  -0.15   0.19     0.01   0.01  -0.02
    88   1     0.02   0.03  -0.04     0.10   0.12  -0.16    -0.01  -0.02   0.02
    89   1    -0.01  -0.01   0.01     0.18   0.23  -0.30    -0.02  -0.02   0.03
    90   1    -0.02  -0.02   0.02    -0.03  -0.06   0.09     0.01   0.01  -0.01
    91   1    -0.02  -0.03   0.02     0.06   0.08  -0.11    -0.00  -0.00   0.01
    92   1    -0.00  -0.01   0.00    -0.17  -0.24   0.29     0.02   0.02  -0.03
    93   1     0.03   0.03  -0.05    -0.11  -0.15   0.20     0.01   0.01  -0.01
    94   1     0.00   0.00  -0.00     0.10   0.14  -0.19    -0.01  -0.02   0.02
    95   1    -0.04   0.03  -0.13    -0.02   0.02  -0.02    -0.12   0.12  -0.15
    96   1     0.06  -0.08   0.06     0.01  -0.01   0.03     0.11  -0.09   0.16
    97   1     0.10  -0.12   0.14     0.02  -0.02   0.04     0.19  -0.17   0.26
    98   1    -0.01   0.03  -0.04    -0.01   0.01  -0.01    -0.05   0.04  -0.09
    99   1     0.04  -0.08   0.03     0.00   0.01   0.01     0.06  -0.04   0.09
   100   1    -0.14   0.08  -0.14    -0.01   0.03  -0.04    -0.17   0.18  -0.27
   101   1    -0.10   0.08  -0.07    -0.00   0.01  -0.02    -0.10   0.09  -0.17
   102   1     0.08  -0.01   0.13     0.01  -0.02   0.02     0.11  -0.12   0.16
   103   1    -0.01  -0.00  -0.02    -0.00   0.00   0.00    -0.01   0.00  -0.01
   104   1    -0.02  -0.01  -0.01    -0.00   0.00   0.00    -0.02   0.00   0.01
   105   1     0.01  -0.02  -0.00     0.00   0.00   0.00     0.02  -0.01  -0.00
   106   1    -0.01  -0.01  -0.02    -0.00   0.00  -0.00    -0.01  -0.01  -0.03
   107   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
   108   1     0.02  -0.01  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
   109   1     0.05  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   110   1    -0.06   0.04   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.01   0.10  -0.06    -0.00  -0.01   0.00     0.00   0.00   0.00
   112   1     0.03   0.01  -0.02    -0.00  -0.01   0.00     0.00   0.00  -0.00
   113  17    -0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --    296.5787               308.7152               313.1858
 Red. masses --      5.4249                 5.9472                 5.7348
 Frc consts  --      0.2811                 0.3339                 0.3314
 IR Inten    --      2.7259                 9.4299                 2.9276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05  -0.02    -0.09  -0.12   0.00     0.00   0.01  -0.03
     2   6    -0.01   0.06   0.04    -0.09  -0.11  -0.12    -0.02   0.02   0.01
     3   6    -0.04   0.02   0.04    -0.03  -0.02  -0.06    -0.03   0.01   0.04
     4   6    -0.03  -0.04   0.03    -0.04   0.01   0.01    -0.03   0.06   0.08
     5   6     0.03  -0.05   0.03    -0.09   0.01  -0.03    -0.02   0.06   0.03
     6   6     0.07  -0.00  -0.02    -0.13  -0.06  -0.01    -0.03   0.04  -0.07
     7   6    -0.05   0.02  -0.01    -0.03   0.03  -0.03    -0.04   0.00   0.01
     8   6    -0.07  -0.01   0.02    -0.04   0.03   0.01    -0.01   0.04  -0.03
     9   6    -0.05  -0.06  -0.01    -0.05   0.01   0.06    -0.01   0.04  -0.07
    10   6    -0.06  -0.08  -0.00    -0.02   0.03   0.07     0.00   0.09   0.02
    11   6    -0.01   0.04  -0.11    -0.05   0.09  -0.02    -0.02  -0.07   0.03
    12   6     0.02   0.03  -0.06    -0.06   0.10   0.02     0.04  -0.08  -0.00
    13   6    -0.01   0.01  -0.05    -0.06   0.10  -0.05     0.07  -0.05   0.06
    14   6    -0.04  -0.00  -0.00    -0.05   0.05  -0.04     0.04   0.03   0.03
    15   7    -0.05  -0.09  -0.07    -0.04  -0.02  -0.00    -0.05  -0.01  -0.10
    16   6    -0.04  -0.06  -0.03    -0.04  -0.04  -0.03    -0.09   0.02  -0.15
    17   6    -0.04  -0.03   0.03    -0.03  -0.03  -0.00    -0.03   0.05  -0.09
    18   7    -0.06  -0.08  -0.01    -0.01   0.01   0.09    -0.00   0.13   0.02
    19   6    -0.00  -0.00  -0.01    -0.03  -0.03  -0.00    -0.11   0.01  -0.06
    20   6    -0.00   0.07   0.04    -0.00  -0.01   0.07    -0.03   0.02   0.15
    21   6     0.00   0.07   0.05     0.01  -0.03   0.01     0.04  -0.01   0.10
    22   6    -0.02   0.06   0.12    -0.02  -0.07  -0.04     0.04   0.00  -0.03
    23   7     0.04   0.07  -0.08    -0.05  -0.13   0.13     0.03   0.00  -0.02
    24   7     0.04   0.01   0.00    -0.04   0.10   0.09     0.06  -0.10  -0.09
    25   7     0.01   0.03  -0.03     0.04  -0.01   0.03     0.10  -0.08   0.13
    26   6     0.01   0.08   0.10     0.04   0.02   0.03    -0.02  -0.01  -0.02
    27   6     0.03   0.08   0.08     0.08  -0.01  -0.02    -0.06   0.03   0.03
    28   6     0.09  -0.03  -0.00     0.09  -0.04  -0.02    -0.06   0.05   0.03
    29   6     0.09  -0.04  -0.04     0.04   0.01   0.00    -0.02  -0.00  -0.00
    30   6    -0.01   0.02  -0.02     0.06  -0.04   0.02     0.03  -0.03   0.01
    31   6    -0.03  -0.02   0.03     0.10  -0.00  -0.06     0.03  -0.04   0.01
    32   6    -0.05  -0.05   0.06     0.11   0.03  -0.06     0.04  -0.03   0.01
    33   6    -0.02  -0.02   0.03     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    34   6     0.03   0.02  -0.06     0.03   0.01  -0.02     0.02  -0.00  -0.02
    35   6     0.04   0.02  -0.04     0.03   0.04  -0.03    -0.02   0.05  -0.08
    36   6     0.07  -0.03   0.01     0.04   0.02  -0.03    -0.02   0.04  -0.09
    37   6     0.05  -0.02   0.01     0.04   0.02  -0.01     0.02   0.00  -0.01
    38   6     0.09  -0.09   0.00     0.04  -0.04   0.04    -0.02   0.02  -0.02
    39   6    -0.00  -0.02   0.07    -0.03   0.01   0.09     0.03  -0.03  -0.07
    40   6    -0.04   0.03   0.08     0.00  -0.02   0.02    -0.01   0.02  -0.01
    41   6     0.06  -0.02  -0.03     0.06  -0.03  -0.04    -0.05   0.04   0.03
    42   6    -0.02   0.02   0.08     0.04  -0.04  -0.00    -0.04   0.05   0.02
    43   6     0.00  -0.06  -0.06    -0.01  -0.02  -0.03     0.00   0.02   0.02
    44   6    -0.00  -0.01  -0.08    -0.05   0.06  -0.00     0.04  -0.05  -0.02
    45   6    -0.02   0.11   0.02     0.02   0.05  -0.03    -0.01  -0.02   0.02
    46   6    -0.03  -0.02   0.02     0.08   0.03   0.03     0.05   0.02   0.03
    47   6     0.02   0.04  -0.06     0.01  -0.02   0.12     0.03   0.03   0.03
    48   6    -0.00   0.00  -0.01     0.03   0.02   0.02     0.01   0.01   0.02
    49   6    -0.04  -0.04   0.05     0.07   0.03  -0.06     0.02  -0.02   0.00
    50   6    -0.02  -0.03   0.02     0.06   0.05  -0.02     0.01  -0.01   0.03
    51   6    -0.01  -0.03   0.03    -0.02   0.04  -0.03    -0.02   0.00  -0.01
    52   6     0.03   0.03  -0.03    -0.08  -0.06   0.02    -0.02  -0.01  -0.04
    53   6     0.01   0.02  -0.01     0.00  -0.06  -0.05    -0.00  -0.04  -0.03
    54   6     0.06  -0.06  -0.01     0.03  -0.03  -0.03     0.02  -0.01  -0.03
    55   6     0.00  -0.02  -0.06     0.01  -0.04  -0.01     0.06  -0.06   0.04
    56   6    -0.00  -0.01  -0.05    -0.02  -0.01  -0.01    -0.00   0.01  -0.04
    57   6     0.05  -0.02   0.01     0.01   0.03  -0.01    -0.02   0.04  -0.07
    58   6    -0.00  -0.03  -0.04     0.01   0.01  -0.03    -0.03   0.02  -0.07
    59   6    -0.02  -0.03   0.04    -0.01   0.01   0.01    -0.03   0.00  -0.01
    60   6    -0.03   0.01   0.03     0.01   0.02   0.04     0.03  -0.03   0.08
    61   6    -0.01   0.06  -0.01     0.01   0.05   0.01     0.00   0.02  -0.00
    62   8    -0.01   0.11   0.05     0.00   0.06   0.01     0.03  -0.01   0.08
    63  15    -0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01   0.02
    64   8    -0.00   0.00  -0.02     0.02  -0.00  -0.02    -0.02  -0.03   0.05
    65   8     0.04  -0.01   0.04     0.04  -0.02   0.03     0.05  -0.02   0.06
    66   6    -0.02  -0.02  -0.02    -0.01  -0.00  -0.02    -0.02  -0.03   0.04
    67   6    -0.01  -0.03  -0.03    -0.01  -0.01  -0.00    -0.01  -0.04  -0.04
    68   6     0.06  -0.02  -0.01     0.04  -0.03  -0.00     0.04  -0.06  -0.02
    69   6     0.01   0.07  -0.02     0.00   0.02  -0.01    -0.00  -0.01  -0.01
    70   1    -0.03   0.10   0.05    -0.07  -0.15  -0.15    -0.03   0.03   0.00
    71   1     0.05  -0.10   0.03    -0.11   0.06  -0.03    -0.02   0.04   0.03
    72   1     0.12  -0.01  -0.05    -0.20  -0.05   0.02    -0.06   0.03  -0.13
    73   1    -0.01   0.03  -0.15    -0.03   0.10  -0.04    -0.05  -0.12   0.04
    74   1    -0.04   0.01  -0.05    -0.10   0.11  -0.09     0.12  -0.06   0.09
    75   1    -0.03   0.01   0.02    -0.06   0.03  -0.05     0.07   0.07   0.03
    76   1     0.03  -0.01  -0.04    -0.03  -0.02   0.01    -0.18  -0.00  -0.09
    77   1     0.01   0.08   0.04    -0.00  -0.00   0.14    -0.04   0.02   0.29
    78   1    -0.07   0.08   0.17    -0.02  -0.07  -0.06     0.10   0.00  -0.04
    79   1     0.12  -0.14   0.01     0.05  -0.05   0.07    -0.02   0.03  -0.03
    80   1    -0.05   0.01   0.12    -0.08   0.06   0.15     0.07  -0.08  -0.13
    81   1    -0.13   0.10   0.13    -0.02  -0.03   0.00    -0.00   0.03   0.01
    82   1     0.05  -0.00  -0.05     0.06  -0.04  -0.07    -0.06   0.06   0.06
    83   1    -0.03  -0.02   0.12     0.05  -0.10   0.00    -0.05   0.09   0.02
    84   1     0.02  -0.16  -0.14    -0.02  -0.06  -0.06     0.01   0.05   0.04
    85   1     0.01  -0.06  -0.16    -0.10   0.11   0.02     0.10  -0.11  -0.06
    86   1    -0.02   0.18  -0.01     0.02   0.10  -0.05    -0.01  -0.05   0.03
    87   1    -0.03  -0.02   0.01     0.10   0.04   0.05     0.07   0.03   0.04
    88   1     0.06   0.09  -0.14    -0.04  -0.08   0.22     0.03   0.05   0.03
    89   1     0.01   0.02  -0.03    -0.00   0.04   0.01    -0.02   0.01   0.03
    90   1    -0.05  -0.06   0.07     0.07   0.05  -0.11    -0.00  -0.03  -0.01
    91   1    -0.04  -0.06   0.02     0.10   0.13  -0.01     0.02   0.02   0.05
    92   1    -0.02  -0.07   0.06    -0.04   0.09  -0.05    -0.04   0.03  -0.01
    93   1     0.06   0.05  -0.06    -0.15  -0.12   0.07    -0.03   0.01  -0.07
    94   1     0.02   0.05  -0.02    -0.02  -0.12  -0.08    -0.01  -0.07  -0.06
    95   1     0.07  -0.08  -0.01     0.05  -0.06  -0.05     0.03  -0.03  -0.01
    96   1    -0.03  -0.01  -0.10     0.01  -0.07   0.00     0.11  -0.11   0.12
    97   1    -0.05   0.01  -0.08    -0.05  -0.01  -0.01    -0.02   0.01  -0.05
    98   1     0.05  -0.02   0.03    -0.01   0.05   0.01    -0.04   0.06  -0.08
    99   1     0.00  -0.08  -0.05    -0.01  -0.01  -0.05    -0.06   0.01  -0.11
   100   1    -0.02  -0.08   0.09    -0.02  -0.01   0.02    -0.06   0.00  -0.02
   101   1    -0.05   0.02   0.07     0.01   0.01   0.08     0.07  -0.08   0.17
   102   1    -0.00   0.11   0.01     0.02   0.08   0.02     0.01   0.04   0.03
   103   1    -0.02  -0.02  -0.03    -0.01   0.00  -0.05    -0.02  -0.03   0.05
   104   1    -0.03  -0.03  -0.02    -0.03  -0.00  -0.01    -0.01  -0.02   0.05
   105   1     0.01  -0.02  -0.03     0.02  -0.04   0.01     0.03   0.05  -0.07
   106   1    -0.02  -0.04  -0.04    -0.01  -0.00  -0.04    -0.02  -0.07  -0.07
   107   1    -0.02  -0.03  -0.03    -0.02   0.02   0.03    -0.02  -0.09  -0.09
   108   1     0.03  -0.02  -0.06     0.02  -0.03  -0.03    -0.01  -0.05  -0.10
   109   1     0.10  -0.07  -0.02     0.06  -0.06  -0.01     0.10  -0.13  -0.04
   110   1    -0.13   0.08   0.08    -0.07   0.02   0.04    -0.09   0.02   0.12
   111   1     0.01   0.20  -0.12     0.01   0.10  -0.05    -0.01   0.11  -0.10
   112   1     0.07   0.02  -0.04     0.03   0.01  -0.02     0.04  -0.10  -0.01
   113  17    -0.01   0.01   0.00     0.01   0.01   0.00    -0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --    333.9361               350.3611               356.2836
 Red. masses --      5.2919                 6.5529                 5.8625
 Frc consts  --      0.3477                 0.4739                 0.4385
 IR Inten    --      1.8274                 4.7057                10.6745
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08     0.04   0.06   0.12    -0.01  -0.02  -0.04
     2   6     0.04   0.02   0.02    -0.02   0.07   0.10    -0.03  -0.02   0.03
     3   6     0.03   0.03  -0.05    -0.08   0.01  -0.05    -0.02  -0.03   0.03
     4   6     0.03   0.04  -0.11    -0.06  -0.04  -0.15    -0.03  -0.02   0.03
     5   6     0.01   0.06  -0.08    -0.00  -0.04  -0.10    -0.01  -0.03   0.06
     6   6     0.00   0.06   0.09     0.06   0.03   0.13    -0.00  -0.04  -0.04
     7   6    -0.01   0.03   0.02    -0.11   0.02  -0.04     0.03  -0.03  -0.04
     8   6     0.00   0.06   0.04    -0.09   0.02  -0.06     0.04  -0.03  -0.08
     9   6     0.01   0.04   0.02    -0.07  -0.02  -0.09    -0.00   0.01   0.02
    10   6     0.02   0.03  -0.02    -0.03  -0.01  -0.04    -0.01   0.00  -0.02
    11   6    -0.01  -0.02   0.05    -0.12  -0.01   0.01     0.03  -0.03  -0.01
    12   6     0.02  -0.02   0.00    -0.02  -0.02  -0.02    -0.01  -0.03   0.06
    13   6     0.06   0.03   0.01    -0.03  -0.01  -0.00    -0.02  -0.06   0.06
    14   6     0.03   0.06   0.05    -0.06   0.01   0.00     0.03  -0.03  -0.08
    15   7    -0.03  -0.04  -0.03    -0.04   0.02   0.01     0.00   0.07   0.10
    16   6     0.01  -0.05   0.04    -0.03   0.03   0.08    -0.01   0.14   0.18
    17   6     0.01  -0.04   0.05     0.00   0.02   0.08    -0.00   0.07   0.03
    18   7     0.05  -0.01   0.02     0.03   0.08   0.20    -0.04   0.02  -0.08
    19   6     0.05  -0.01   0.04    -0.05  -0.01   0.09    -0.06   0.07   0.12
    20   6     0.02   0.01  -0.03    -0.05  -0.10  -0.02    -0.10  -0.13  -0.14
    21   6    -0.02  -0.00  -0.06    -0.02  -0.14  -0.12    -0.01  -0.09  -0.08
    22   6    -0.02  -0.03   0.00    -0.02  -0.15  -0.17     0.02  -0.03  -0.04
    23   7    -0.04  -0.06   0.09     0.03   0.04  -0.03     0.04   0.07  -0.10
    24   7     0.05  -0.08  -0.07     0.07  -0.08  -0.08    -0.06   0.07   0.09
    25   7    -0.07   0.06  -0.11     0.02  -0.03   0.01     0.07  -0.07   0.09
    26   6    -0.02  -0.02  -0.02     0.04  -0.00   0.00    -0.02   0.01   0.00
    27   6    -0.06   0.01   0.02     0.02   0.06   0.04     0.02  -0.02  -0.04
    28   6    -0.06   0.02   0.02     0.02   0.04   0.05     0.03  -0.02  -0.04
    29   6    -0.02  -0.02  -0.01     0.04   0.00  -0.00    -0.00   0.02   0.01
    30   6    -0.01  -0.01  -0.00    -0.01   0.01  -0.02     0.01   0.01  -0.01
    31   6     0.02   0.02  -0.05    -0.02  -0.02  -0.01    -0.02  -0.02   0.04
    32   6     0.03   0.01  -0.05     0.00  -0.03  -0.00    -0.02  -0.01   0.04
    33   6     0.00  -0.02  -0.00     0.02  -0.02  -0.02     0.00   0.02  -0.01
    34   6    -0.01   0.01  -0.00     0.00   0.01   0.02     0.01  -0.01   0.02
    35   6     0.02  -0.03   0.05     0.01   0.04   0.01    -0.01   0.04  -0.02
    36   6     0.03  -0.02   0.05     0.04   0.04  -0.01     0.01   0.04  -0.03
    37   6    -0.01   0.01  -0.01     0.05   0.03   0.00     0.04   0.01   0.02
    38   6    -0.03   0.03  -0.02     0.02  -0.02   0.05     0.00  -0.00  -0.01
    39   6     0.02  -0.01  -0.06     0.03  -0.06   0.01    -0.04   0.03   0.02
    40   6    -0.01   0.02  -0.00    -0.01  -0.00   0.03    -0.01  -0.01  -0.03
    41   6    -0.04   0.02   0.02     0.01   0.04   0.02     0.01  -0.01  -0.03
    42   6    -0.03   0.02   0.01     0.00   0.03   0.04     0.02  -0.01  -0.03
    43   6    -0.01   0.00   0.02    -0.01   0.02  -0.01     0.03   0.00  -0.02
    44   6     0.02  -0.05  -0.00     0.02  -0.00  -0.07    -0.01   0.04   0.03
    45   6    -0.02  -0.03   0.02     0.01   0.05  -0.02     0.01   0.00  -0.01
    46   6     0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00  -0.01   0.01
    47   6    -0.03  -0.01   0.03    -0.02   0.03  -0.01     0.03   0.02  -0.03
    48   6    -0.01   0.02  -0.02    -0.03   0.01  -0.01     0.01  -0.01   0.02
    49   6     0.00   0.01  -0.04    -0.03  -0.02  -0.01    -0.00  -0.01   0.03
    50   6     0.02   0.00  -0.04    -0.00  -0.04  -0.01    -0.02  -0.01   0.03
    51   6     0.02  -0.01  -0.03     0.02  -0.03  -0.02    -0.01   0.00   0.02
    52   6    -0.01  -0.05   0.02     0.02  -0.02  -0.03     0.01   0.04  -0.02
    53   6     0.00  -0.01  -0.01    -0.01  -0.03  -0.00    -0.00   0.00   0.01
    54   6    -0.00   0.00   0.02     0.01  -0.01  -0.02     0.00  -0.00  -0.03
    55   6    -0.04   0.03  -0.03    -0.02  -0.03   0.01     0.01  -0.04   0.03
    56   6    -0.00  -0.01   0.03    -0.04  -0.01   0.02    -0.03  -0.00   0.00
    57   6     0.01  -0.02   0.04    -0.01   0.04   0.02    -0.01   0.04  -0.01
    58   6     0.02  -0.01   0.04     0.02   0.04  -0.00    -0.00   0.04  -0.02
    59   6     0.02  -0.00   0.01     0.03   0.04   0.01     0.01   0.04  -0.00
    60   6    -0.02   0.03  -0.05     0.04   0.05   0.02     0.04   0.02   0.05
    61   6     0.01  -0.01   0.01     0.01   0.05   0.01    -0.00   0.04  -0.00
    62   8    -0.05   0.10   0.09     0.02   0.03  -0.07    -0.03   0.06   0.05
    63  15    -0.06  -0.03   0.00     0.05   0.01  -0.01    -0.04  -0.01   0.01
    64   8    -0.04   0.10  -0.10     0.06  -0.09   0.03    -0.00   0.10  -0.11
    65   8     0.10  -0.05   0.13    -0.00   0.00  -0.04     0.08  -0.04   0.11
    66   6    -0.03  -0.06  -0.07     0.02   0.04  -0.00    -0.03  -0.05  -0.08
    67   6    -0.03  -0.08  -0.07     0.01   0.05   0.06    -0.03  -0.07  -0.06
    68   6     0.12  -0.10  -0.01    -0.03   0.01   0.01     0.08  -0.09  -0.00
    69   6     0.01   0.06  -0.03    -0.00  -0.02   0.01     0.00   0.03  -0.02
    70   1     0.05   0.00   0.03    -0.04   0.12   0.12    -0.03  -0.01   0.04
    71   1    -0.01   0.08  -0.11     0.01  -0.10  -0.16     0.00  -0.04   0.09
    72   1    -0.01   0.07   0.16     0.11   0.03   0.21    -0.00  -0.04  -0.08
    73   1    -0.02  -0.03   0.05    -0.15  -0.05   0.03     0.04  -0.03  -0.01
    74   1     0.12   0.03  -0.02    -0.03  -0.01  -0.00    -0.04  -0.07   0.13
    75   1     0.05   0.09   0.03    -0.05   0.04   0.04     0.04  -0.03  -0.12
    76   1     0.09   0.00   0.07    -0.05   0.02   0.14    -0.10   0.09   0.16
    77   1     0.03   0.02  -0.04    -0.07  -0.13   0.04    -0.16  -0.24  -0.25
    78   1    -0.07  -0.03   0.00    -0.00  -0.18  -0.23     0.07  -0.03  -0.07
    79   1    -0.03   0.04  -0.04     0.04  -0.04   0.07     0.01  -0.01   0.00
    80   1     0.06  -0.04  -0.10     0.05  -0.11  -0.02    -0.07   0.06   0.05
    81   1     0.01   0.03   0.01    -0.04   0.01   0.03    -0.00  -0.03  -0.04
    82   1    -0.04   0.02   0.05    -0.01   0.06   0.02     0.01  -0.02  -0.06
    83   1    -0.04   0.05   0.00    -0.02   0.03   0.07     0.03  -0.00  -0.04
    84   1     0.00   0.03   0.04    -0.05   0.02   0.00     0.04  -0.01  -0.03
    85   1     0.06  -0.09  -0.02     0.05  -0.04  -0.12    -0.03   0.08   0.06
    86   1    -0.02  -0.06   0.04     0.01   0.08  -0.04     0.00  -0.00   0.00
    87   1     0.02   0.01   0.02     0.02   0.00   0.04    -0.01  -0.01   0.00
    88   1    -0.06  -0.04   0.08    -0.01   0.05  -0.02     0.05   0.05  -0.07
    89   1    -0.02   0.03  -0.03    -0.05   0.01  -0.00     0.00  -0.03   0.03
    90   1    -0.01   0.01  -0.07    -0.06  -0.05  -0.02    -0.01  -0.02   0.06
    91   1     0.02   0.00  -0.05    -0.02  -0.07   0.00    -0.02  -0.01   0.04
    92   1     0.03   0.00  -0.04     0.01  -0.04  -0.01    -0.02  -0.01   0.04
    93   1    -0.03  -0.08   0.06     0.04  -0.01  -0.04     0.03   0.07  -0.06
    94   1    -0.00  -0.02   0.00    -0.01  -0.02   0.02    -0.00   0.00   0.01
    95   1    -0.00   0.00   0.01     0.03  -0.04  -0.07     0.01  -0.02  -0.06
    96   1    -0.08   0.06  -0.08    -0.03  -0.06   0.01     0.02  -0.08   0.06
    97   1     0.01  -0.02   0.04    -0.06  -0.01   0.03    -0.06   0.01  -0.01
    98   1     0.03  -0.03   0.06    -0.03   0.08   0.05    -0.05   0.08  -0.02
    99   1     0.04  -0.01   0.06     0.01   0.07  -0.01    -0.02   0.07  -0.04
   100   1     0.04  -0.01   0.03     0.02   0.04   0.01    -0.00   0.04  -0.01
   101   1    -0.05   0.06  -0.10     0.05   0.05   0.03     0.07  -0.01   0.08
   102   1     0.00  -0.01  -0.00    -0.00   0.05  -0.01    -0.01   0.04  -0.01
   103   1    -0.02  -0.08  -0.02     0.01   0.06  -0.08    -0.03  -0.06  -0.07
   104   1     0.01  -0.10  -0.13    -0.04   0.07   0.05    -0.02  -0.09  -0.13
   105   1    -0.07   0.00  -0.11     0.03  -0.07   0.10    -0.04  -0.03  -0.08
   106   1    -0.02  -0.10  -0.02     0.01   0.09   0.02    -0.03  -0.09  -0.05
   107   1     0.01  -0.12  -0.15    -0.02   0.12   0.15    -0.01  -0.08  -0.10
   108   1     0.03  -0.09  -0.14    -0.00  -0.01   0.05     0.02  -0.07  -0.10
   109   1     0.21  -0.22  -0.03    -0.06   0.05   0.01     0.15  -0.19  -0.02
   110   1    -0.23   0.06   0.10     0.05  -0.03  -0.03    -0.16   0.02   0.06
   111   1     0.03   0.28  -0.16    -0.01  -0.08   0.04     0.02   0.17  -0.09
   112   1     0.09   0.02  -0.05    -0.03  -0.01   0.01     0.05   0.01  -0.03
   113  17    -0.01  -0.01   0.02     0.02  -0.02   0.01     0.03  -0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --    371.1051               378.4369               391.8915
 Red. masses --      5.4027                 4.7745                 5.3778
 Frc consts  --      0.4384                 0.4029                 0.4866
 IR Inten    --      2.7315                 2.3810                 6.5383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.02  -0.06    -0.06  -0.05  -0.05    -0.02  -0.01   0.09
     2   6    -0.09   0.00   0.03    -0.09  -0.04  -0.02    -0.09  -0.01   0.04
     3   6    -0.07   0.03   0.02    -0.06  -0.01   0.03    -0.08  -0.01  -0.02
     4   6    -0.05   0.05   0.08    -0.04  -0.04   0.03    -0.07  -0.05  -0.11
     5   6    -0.07   0.05   0.10    -0.05  -0.05   0.06    -0.04  -0.07  -0.11
     6   6    -0.10   0.00  -0.09    -0.06  -0.08  -0.02    -0.01  -0.04   0.14
     7   6    -0.04   0.04  -0.06    -0.07   0.02   0.03     0.00   0.00  -0.02
     8   6     0.02   0.10  -0.15    -0.04   0.05   0.03     0.04   0.07  -0.02
     9   6     0.00   0.03  -0.06     0.03   0.00  -0.07     0.01   0.06   0.09
    10   6    -0.02   0.03  -0.02     0.02  -0.01  -0.04    -0.02   0.01   0.02
    11   6    -0.05  -0.02   0.02    -0.07   0.07  -0.04     0.05  -0.04  -0.05
    12   6    -0.01  -0.04   0.10    -0.03   0.07  -0.07     0.03  -0.05   0.09
    13   6     0.01  -0.00   0.16    -0.04   0.10  -0.03     0.08  -0.01   0.10
    14   6     0.06   0.10  -0.10    -0.05   0.06   0.04     0.11   0.09  -0.09
    15   7    -0.01  -0.03  -0.01     0.05   0.02  -0.06     0.01   0.02   0.04
    16   6     0.02  -0.05   0.06     0.10   0.03   0.01    -0.00  -0.08  -0.08
    17   6    -0.02  -0.07   0.02     0.06   0.02  -0.00    -0.01  -0.03   0.02
    18   7    -0.02  -0.07  -0.12     0.03   0.00  -0.02     0.01   0.01   0.09
    19   6     0.05  -0.04   0.07     0.10   0.01   0.03     0.00  -0.08  -0.11
    20   6     0.03  -0.07  -0.04     0.09  -0.06  -0.07     0.06   0.05   0.13
    21   6     0.01  -0.04   0.02     0.04  -0.05  -0.04     0.01   0.02   0.06
    22   6     0.01  -0.04   0.14     0.07  -0.01  -0.01    -0.03  -0.05  -0.03
    23   7     0.01   0.02  -0.05     0.02   0.03  -0.07     0.07   0.10  -0.12
    24   7     0.04  -0.06  -0.03     0.04  -0.05  -0.07    -0.07   0.08   0.12
    25   7    -0.08   0.07  -0.12    -0.01   0.01  -0.03    -0.04   0.04  -0.05
    26   6    -0.01  -0.02  -0.03     0.03  -0.01   0.00    -0.05   0.02   0.01
    27   6    -0.03   0.01  -0.00     0.01   0.02   0.04    -0.01  -0.03  -0.05
    28   6    -0.01   0.03   0.00    -0.01   0.01   0.04     0.01  -0.01  -0.05
    29   6     0.02  -0.00  -0.01     0.01  -0.02  -0.01    -0.01   0.04   0.02
    30   6     0.04  -0.02   0.00     0.03  -0.00  -0.01     0.02   0.03  -0.04
    31   6     0.04  -0.04   0.02     0.02  -0.03   0.03    -0.01  -0.03   0.03
    32   6     0.04  -0.02   0.03     0.01  -0.01   0.03    -0.00  -0.04   0.03
    33   6     0.02  -0.00  -0.00     0.01   0.01  -0.00     0.03   0.01  -0.03
    34   6    -0.01   0.02  -0.03    -0.03  -0.00   0.01     0.00   0.01  -0.02
    35   6     0.03  -0.01   0.04    -0.03  -0.02   0.02     0.02  -0.01   0.01
    36   6     0.04  -0.02   0.03    -0.02  -0.00   0.03     0.01  -0.01   0.01
    37   6    -0.01   0.02  -0.02    -0.01  -0.00   0.00    -0.02   0.01  -0.02
    38   6    -0.01   0.02  -0.01     0.01  -0.01   0.03    -0.00   0.01  -0.04
    39   6    -0.01  -0.01  -0.04     0.04  -0.03   0.01    -0.06   0.05  -0.02
    40   6    -0.02   0.01  -0.02     0.01   0.01   0.04    -0.02  -0.00  -0.05
    41   6    -0.02   0.02  -0.01     0.01   0.01   0.03    -0.02  -0.01  -0.05
    42   6    -0.01   0.02  -0.00    -0.01   0.00   0.03     0.01  -0.01  -0.03
    43   6     0.02   0.01   0.01    -0.03   0.00   0.00     0.03  -0.01  -0.00
    44   6     0.03  -0.01  -0.01    -0.00  -0.02  -0.03    -0.01   0.03   0.05
    45   6    -0.01   0.00   0.01     0.00   0.02  -0.00     0.00  -0.03   0.00
    46   6     0.05   0.02   0.04     0.02   0.01   0.02     0.00  -0.01   0.03
    47   6     0.06   0.03   0.03     0.04   0.02   0.00     0.03   0.04  -0.03
    48   6     0.03   0.00   0.04     0.02  -0.01   0.03    -0.01  -0.01   0.02
    49   6     0.04  -0.02   0.01     0.02  -0.01   0.02    -0.01  -0.03   0.02
    50   6     0.02  -0.01   0.02     0.01  -0.00   0.02    -0.01  -0.03   0.02
    51   6    -0.02  -0.01  -0.01    -0.02   0.00   0.01    -0.01  -0.02   0.00
    52   6    -0.02  -0.01  -0.05    -0.01   0.02  -0.03     0.02   0.02  -0.05
    53   6    -0.00  -0.04  -0.03    -0.00  -0.02  -0.01    -0.01  -0.03   0.02
    54   6     0.01  -0.02   0.00    -0.02   0.03   0.03     0.01  -0.01   0.01
    55   6    -0.03   0.01  -0.04    -0.03   0.03   0.03    -0.00   0.01  -0.02
    56   6     0.01  -0.02   0.01    -0.02   0.01   0.03     0.01  -0.00  -0.00
    57   6     0.02  -0.01   0.03    -0.02  -0.00   0.02     0.01  -0.01   0.01
    58   6     0.03  -0.00   0.02    -0.01   0.00   0.02     0.01  -0.02   0.00
    59   6     0.02   0.01   0.02     0.01  -0.01  -0.01    -0.00  -0.01   0.00
    60   6    -0.02   0.05  -0.03     0.00  -0.02  -0.03    -0.02   0.01  -0.01
    61   6     0.01   0.01   0.02    -0.01  -0.04  -0.01     0.01  -0.00   0.01
    62   8    -0.01   0.02  -0.01     0.07  -0.03   0.02     0.02  -0.01  -0.02
    63  15     0.01  -0.03  -0.00     0.03   0.06   0.00     0.02   0.03  -0.00
    64   8     0.05  -0.11   0.01    -0.05   0.13   0.04    -0.01   0.07   0.01
    65   8    -0.02  -0.01  -0.04     0.03   0.04   0.02     0.02   0.02   0.01
    66   6     0.04   0.06  -0.04    -0.06  -0.07   0.11    -0.03  -0.03   0.03
    67   6     0.02   0.07   0.08    -0.02  -0.10  -0.12    -0.01  -0.04  -0.05
    68   6     0.01   0.02   0.02    -0.06  -0.00  -0.03    -0.03   0.00  -0.02
    69   6     0.01   0.03  -0.00    -0.02  -0.09   0.01    -0.01  -0.05   0.01
    70   1    -0.08  -0.00   0.05    -0.08  -0.05  -0.03    -0.09  -0.01   0.01
    71   1    -0.07   0.08   0.16    -0.06  -0.03   0.09    -0.05  -0.09  -0.19
    72   1    -0.15  -0.00  -0.18    -0.07  -0.08  -0.03     0.01  -0.04   0.21
    73   1    -0.07  -0.05   0.01    -0.05   0.08  -0.06     0.05  -0.06  -0.12
    74   1     0.03  -0.03   0.27    -0.04   0.10  -0.06     0.13  -0.04   0.20
    75   1     0.10   0.15  -0.18    -0.07   0.04   0.08     0.16   0.15  -0.17
    76   1     0.07  -0.03   0.09     0.09   0.02   0.07    -0.00  -0.12  -0.19
    77   1     0.01  -0.12  -0.14     0.09  -0.07  -0.12     0.09   0.11   0.24
    78   1     0.00  -0.02   0.18     0.12  -0.01  -0.01    -0.05  -0.09  -0.10
    79   1    -0.01   0.02   0.01     0.01  -0.01   0.01     0.00   0.00  -0.04
    80   1     0.00  -0.03  -0.05     0.06  -0.05  -0.01    -0.09   0.08   0.02
    81   1    -0.03   0.02  -0.01    -0.00   0.02   0.04     0.01  -0.02  -0.07
    82   1    -0.04   0.04  -0.01     0.01   0.00   0.04    -0.01  -0.02  -0.08
    83   1    -0.02   0.06   0.00    -0.01  -0.01   0.05     0.03  -0.00  -0.07
    84   1     0.02   0.03   0.01    -0.05   0.00   0.01     0.06  -0.02  -0.02
    85   1     0.05  -0.03  -0.02     0.01  -0.04  -0.07    -0.03   0.06   0.10
    86   1    -0.02  -0.00   0.04     0.01   0.04  -0.02     0.00  -0.06   0.02
    87   1     0.06   0.03   0.04     0.02   0.01   0.01     0.01  -0.02   0.05
    88   1     0.06   0.04   0.02     0.06   0.03  -0.02     0.05   0.08  -0.07
    89   1     0.00   0.01   0.04     0.01  -0.01   0.04    -0.03  -0.02   0.04
    90   1     0.04  -0.02   0.01     0.03  -0.00   0.03    -0.03  -0.06   0.04
    91   1     0.03   0.01   0.04     0.01   0.01   0.05    -0.04  -0.07   0.06
    92   1    -0.05   0.01   0.00    -0.04   0.01   0.02    -0.02  -0.04   0.03
    93   1    -0.03   0.00  -0.07    -0.00   0.04  -0.06     0.05   0.05  -0.09
    94   1    -0.01  -0.07  -0.06    -0.01  -0.04  -0.03    -0.03  -0.05   0.04
    95   1     0.02  -0.03  -0.00    -0.03   0.04   0.02     0.02  -0.01   0.03
    96   1    -0.06   0.04  -0.09    -0.03   0.04   0.02    -0.01   0.02  -0.04
    97   1     0.01  -0.03   0.04     0.01   0.01   0.03     0.02  -0.01   0.01
    98   1     0.03  -0.02   0.05    -0.03   0.00   0.01     0.03  -0.03   0.03
    99   1     0.04  -0.02   0.05    -0.01   0.02   0.04     0.01  -0.04   0.01
   100   1     0.02  -0.01   0.05     0.04   0.00  -0.01     0.00  -0.02   0.01
   101   1    -0.05   0.07  -0.07     0.00  -0.02  -0.05    -0.03   0.02  -0.03
   102   1     0.02   0.01   0.03    -0.01  -0.07  -0.02     0.01   0.00   0.01
   103   1     0.03   0.08  -0.10    -0.06  -0.10   0.17    -0.03  -0.04   0.05
   104   1    -0.02   0.09   0.03     0.01  -0.10   0.03    -0.01  -0.04   0.01
   105   1    -0.03  -0.11   0.15     0.09   0.19  -0.21     0.04   0.07  -0.09
   106   1     0.03   0.15   0.10    -0.05  -0.23  -0.18    -0.03  -0.10  -0.09
   107   1     0.01   0.18   0.21    -0.03  -0.26  -0.30    -0.01  -0.10  -0.12
   108   1     0.03   0.01   0.05    -0.07  -0.00  -0.05    -0.04  -0.00  -0.02
   109   1    -0.02   0.06   0.02    -0.04  -0.04  -0.04    -0.03  -0.02  -0.02
   110   1    -0.01   0.01  -0.04     0.12  -0.04   0.06     0.07  -0.02   0.03
   111   1     0.01   0.02   0.01    -0.05  -0.16   0.03    -0.02  -0.09   0.02
   112   1     0.00   0.08  -0.00    -0.05  -0.19   0.03    -0.03  -0.10   0.02
   113  17     0.00   0.00   0.01    -0.01  -0.01  -0.01     0.00   0.01   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --    397.9286               414.0592               428.1377
 Red. masses --      4.9219                 5.6629                 6.1406
 Frc consts  --      0.4592                 0.5720                 0.6632
 IR Inten    --      2.7006                 0.1738                 1.8997
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00    -0.07  -0.00  -0.01    -0.02   0.07   0.02
     2   6     0.06   0.06   0.03    -0.03  -0.01   0.03    -0.01   0.07   0.06
     3   6     0.03   0.03  -0.02     0.01   0.02   0.01    -0.04   0.03  -0.07
     4   6     0.01   0.08   0.04    -0.02   0.11  -0.06    -0.03   0.06  -0.02
     5   6     0.03   0.10   0.03    -0.08   0.15  -0.01    -0.04   0.09   0.02
     6   6     0.02   0.11  -0.07    -0.12   0.09   0.04    -0.04   0.10  -0.03
     7   6     0.01  -0.01  -0.05     0.07  -0.03   0.06    -0.02  -0.01  -0.09
     8   6    -0.02  -0.06  -0.06    -0.00  -0.09   0.13    -0.02  -0.03  -0.07
     9   6    -0.07  -0.01   0.02     0.00   0.00  -0.07    -0.02  -0.00   0.05
    10   6    -0.05   0.01   0.03    -0.02   0.07  -0.09    -0.03   0.00   0.03
    11   6     0.01  -0.07   0.04     0.09  -0.04   0.02    -0.05  -0.06   0.04
    12   6     0.01  -0.07   0.03     0.06  -0.02  -0.13    -0.03  -0.06   0.01
    13   6    -0.00  -0.11  -0.01     0.04  -0.06  -0.18    -0.05  -0.08  -0.03
    14   6    -0.01  -0.09  -0.02    -0.05  -0.13   0.19    -0.06  -0.06  -0.01
    15   7    -0.05   0.01   0.01    -0.02  -0.01  -0.07     0.05   0.05   0.12
    16   6    -0.06  -0.03   0.03    -0.01   0.01  -0.02     0.08  -0.04   0.03
    17   6    -0.06  -0.06   0.02    -0.00   0.02   0.00     0.03  -0.04   0.01
    18   7    -0.05  -0.07  -0.02     0.02   0.07  -0.02    -0.01  -0.07   0.02
    19   6    -0.06  -0.03   0.06    -0.02  -0.01   0.03     0.11  -0.03  -0.09
    20   6    -0.06  -0.06   0.02     0.01  -0.07   0.03     0.09   0.09  -0.03
    21   6    -0.03  -0.04   0.03     0.02  -0.08   0.00     0.03   0.09   0.02
    22   6    -0.04  -0.04   0.09     0.03  -0.05   0.03    -0.01   0.03  -0.04
    23   7    -0.04  -0.05   0.09     0.03   0.08  -0.12    -0.02   0.03   0.00
    24   7    -0.02   0.01   0.03    -0.06   0.09   0.06    -0.02  -0.02  -0.00
    25   7    -0.05   0.03  -0.05    -0.05   0.03  -0.09     0.07  -0.01   0.07
    26   6    -0.01   0.00  -0.00    -0.02   0.04   0.04    -0.00  -0.00  -0.05
    27   6     0.01  -0.00  -0.02     0.01  -0.01   0.00     0.00  -0.00  -0.04
    28   6     0.02   0.00  -0.01    -0.00  -0.03  -0.01     0.00  -0.02   0.01
    29   6     0.01   0.01   0.00    -0.04   0.01   0.02    -0.00  -0.02   0.02
    30   6    -0.02  -0.02   0.02     0.04   0.02  -0.05    -0.02   0.01  -0.04
    31   6     0.00   0.01  -0.03     0.01  -0.03   0.01    -0.01   0.01  -0.04
    32   6     0.02   0.01  -0.03     0.01  -0.01   0.04     0.01   0.02   0.00
    33   6    -0.00  -0.02   0.02     0.02   0.03  -0.02     0.01   0.02   0.03
    34   6     0.00   0.02  -0.02    -0.03   0.02  -0.02     0.04  -0.03  -0.01
    35   6     0.03   0.01   0.01     0.01   0.00   0.03     0.01  -0.02  -0.04
    36   6     0.04  -0.00  -0.00     0.02   0.00   0.02    -0.00   0.00   0.01
    37   6     0.01   0.02  -0.03    -0.01   0.02  -0.03     0.02  -0.01   0.06
    38   6     0.00  -0.00   0.01     0.01  -0.02  -0.02    -0.02  -0.05   0.05
    39   6    -0.01  -0.00   0.01    -0.01   0.03   0.03     0.02  -0.05   0.07
    40   6    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.03  -0.06   0.07
    41   6     0.00   0.00  -0.01     0.01  -0.03  -0.01     0.04  -0.02   0.06
    42   6     0.01   0.01  -0.01     0.01  -0.03  -0.01     0.02   0.09  -0.02
    43   6     0.02   0.01  -0.01    -0.01  -0.01  -0.00     0.04   0.07  -0.07
    44   6     0.01   0.02  -0.00    -0.03   0.02   0.03     0.03   0.06  -0.07
    45   6     0.00   0.01  -0.01     0.02  -0.03  -0.02    -0.04   0.06  -0.04
    46   6     0.00   0.01  -0.01     0.02   0.02   0.06     0.01   0.05   0.06
    47   6    -0.02  -0.01   0.03     0.08   0.05   0.02     0.06   0.04   0.06
    48   6    -0.00   0.02  -0.01     0.05   0.00   0.05     0.08   0.05   0.06
    49   6     0.00   0.01  -0.02     0.04  -0.02   0.04     0.07   0.00   0.06
    50   6     0.01  -0.00  -0.02    -0.00  -0.05   0.02    -0.01  -0.10  -0.03
    51   6     0.01  -0.01  -0.02    -0.02  -0.03  -0.02    -0.01  -0.08  -0.09
    52   6    -0.01  -0.04   0.02     0.00   0.00  -0.07    -0.01  -0.07  -0.08
    53   6     0.00   0.00  -0.02    -0.03  -0.05   0.00    -0.07  -0.05  -0.02
    54   6     0.02  -0.04  -0.02     0.01  -0.02   0.01    -0.01   0.08  -0.00
    55   6     0.00  -0.03  -0.05    -0.03   0.01  -0.03     0.00   0.04   0.08
    56   6     0.01  -0.03  -0.02    -0.00  -0.01   0.01    -0.02   0.07   0.06
    57   6     0.04  -0.00  -0.00     0.01  -0.01   0.02    -0.06   0.05   0.02
    58   6     0.03   0.02   0.00     0.02   0.01   0.02    -0.05  -0.09  -0.05
    59   6     0.01   0.03   0.03     0.02   0.02   0.02    -0.04  -0.11  -0.05
    60   6    -0.00   0.06   0.01    -0.00   0.04  -0.02    -0.02  -0.12  -0.03
    61   6     0.01   0.04   0.03     0.01   0.01   0.02     0.02  -0.05  -0.07
    62   8     0.08   0.01  -0.06    -0.01  -0.00   0.01    -0.04  -0.03  -0.02
    63  15     0.08   0.08  -0.01    -0.01  -0.01  -0.01    -0.02   0.01   0.03
    64   8     0.00   0.11   0.05    -0.01  -0.06   0.01     0.03   0.03  -0.05
    65   8     0.06   0.06  -0.03    -0.01  -0.02   0.00    -0.00   0.01   0.05
    66   6    -0.06  -0.05   0.10     0.02   0.02  -0.01    -0.01  -0.01  -0.06
    67   6    -0.02  -0.08  -0.09     0.01   0.03   0.03    -0.01  -0.02  -0.01
    68   6    -0.09   0.02  -0.04     0.02  -0.01   0.01     0.01  -0.01  -0.00
    69   6    -0.03  -0.11   0.02     0.00   0.02  -0.00     0.00   0.00  -0.00
    70   1     0.05   0.09   0.06    -0.02  -0.04   0.04    -0.01   0.09   0.12
    71   1     0.04   0.08   0.06    -0.11   0.21  -0.00    -0.04   0.09   0.07
    72   1     0.01   0.11  -0.12    -0.21   0.10   0.07    -0.06   0.09  -0.06
    73   1    -0.04  -0.11   0.11     0.07  -0.06   0.11    -0.09  -0.09   0.13
    74   1    -0.02  -0.11  -0.01     0.06  -0.04  -0.28    -0.05  -0.08  -0.03
    75   1     0.00  -0.07   0.02    -0.10  -0.18   0.33    -0.07  -0.08   0.07
    76   1    -0.05  -0.02   0.07    -0.07   0.00   0.05     0.16  -0.06  -0.16
    77   1    -0.08  -0.10  -0.01    -0.01  -0.11   0.05     0.14   0.16  -0.05
    78   1    -0.04  -0.03   0.12     0.10  -0.06   0.01    -0.09   0.01  -0.07
    79   1     0.01  -0.01   0.02     0.02  -0.03  -0.05    -0.02  -0.05   0.06
    80   1    -0.03   0.01   0.02    -0.02   0.06   0.05     0.04  -0.02   0.06
    81   1    -0.01  -0.02  -0.02     0.03  -0.02  -0.01     0.02  -0.07   0.06
    82   1    -0.00   0.02  -0.02     0.04  -0.07  -0.01     0.04  -0.02   0.08
    83   1     0.01   0.02  -0.01     0.05  -0.09  -0.05    -0.01   0.15  -0.01
    84   1     0.02   0.00  -0.02     0.00  -0.03  -0.02     0.02   0.06  -0.08
    85   1     0.00   0.03   0.01    -0.06   0.04   0.05     0.06   0.06  -0.03
    86   1    -0.00   0.01   0.00     0.05  -0.05  -0.06    -0.07   0.09   0.01
    87   1     0.01   0.01   0.00     0.01   0.00   0.07     0.01   0.05   0.07
    88   1    -0.04  -0.03   0.06     0.10   0.06  -0.03     0.07   0.00   0.04
    89   1     0.00   0.03  -0.03     0.01  -0.00   0.07     0.06   0.07   0.05
    90   1    -0.00   0.01  -0.03     0.04  -0.03   0.08     0.07   0.00   0.07
    91   1     0.02   0.00  -0.05    -0.03  -0.07   0.08    -0.05  -0.16  -0.01
    92   1     0.02   0.01  -0.04    -0.05  -0.03   0.01    -0.02  -0.06  -0.09
    93   1    -0.02  -0.06   0.05     0.03   0.03  -0.10     0.03  -0.07  -0.05
    94   1     0.01   0.02  -0.02    -0.06  -0.10   0.03    -0.09  -0.08   0.03
    95   1     0.04  -0.06  -0.02     0.03  -0.04   0.01    -0.05   0.13  -0.04
    96   1    -0.01  -0.01  -0.07    -0.05   0.02  -0.05    -0.00   0.00   0.09
    97   1    -0.00  -0.04   0.01     0.00  -0.03   0.03    -0.02   0.09   0.04
    98   1     0.04  -0.01   0.02     0.02  -0.01   0.05    -0.09   0.09  -0.03
    99   1     0.04   0.01   0.01     0.03   0.02   0.04    -0.06  -0.12  -0.08
   100   1     0.00   0.01   0.05     0.03   0.00   0.04    -0.03  -0.09  -0.07
   101   1    -0.01   0.07  -0.01    -0.01   0.06  -0.05    -0.04  -0.11   0.03
   102   1     0.01   0.06   0.04     0.01  -0.01   0.03     0.02  -0.02  -0.07
   103   1    -0.06  -0.08   0.12     0.02   0.02  -0.01    -0.01  -0.00  -0.08
   104   1    -0.02  -0.08   0.05     0.02   0.03   0.01    -0.04  -0.02  -0.05
   105   1     0.11   0.16  -0.18    -0.03  -0.03   0.05    -0.02  -0.05   0.00
   106   1    -0.06  -0.20  -0.19     0.02   0.06   0.06    -0.01  -0.01  -0.01
   107   1    -0.04  -0.22  -0.24     0.01   0.06   0.06    -0.01   0.01   0.01
   108   1    -0.09  -0.00  -0.01     0.02  -0.01   0.00    -0.01   0.01  -0.04
   109   1    -0.11   0.01  -0.03     0.02  -0.01   0.01     0.03  -0.04  -0.01
   110   1     0.20  -0.05   0.05    -0.05   0.01  -0.01    -0.02   0.00   0.02
   111   1    -0.06  -0.25   0.07     0.02   0.05  -0.01    -0.00   0.02  -0.02
   112   1    -0.08  -0.23   0.05     0.01   0.05  -0.01     0.01  -0.01  -0.00
   113  17     0.01   0.01   0.01    -0.01  -0.01   0.00     0.02   0.01   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --    431.2922               435.4144               435.9677
 Red. masses --      4.5130                 3.3387                 3.3765
 Frc consts  --      0.4946                 0.3729                 0.3781
 IR Inten    --      3.7536                 3.1806                 0.3593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.03    -0.01  -0.02  -0.00     0.00  -0.01  -0.01
     2   6     0.03  -0.05   0.06     0.00  -0.02  -0.00     0.01  -0.01   0.00
     3   6     0.04  -0.03  -0.05     0.02  -0.00  -0.01     0.01  -0.01  -0.01
     4   6     0.03  -0.01  -0.03     0.01   0.01  -0.01     0.01  -0.00   0.01
     5   6     0.03  -0.01   0.08    -0.00   0.01  -0.00     0.01  -0.00   0.02
     6   6    -0.01  -0.06  -0.05    -0.02  -0.01   0.00     0.00  -0.01  -0.03
     7   6     0.01  -0.02  -0.05     0.02   0.00  -0.01    -0.01   0.00  -0.01
     8   6     0.00  -0.01  -0.03     0.01  -0.01  -0.00    -0.00   0.01  -0.01
     9   6    -0.00   0.04   0.02     0.00  -0.01   0.00    -0.00   0.01   0.01
    10   6     0.04   0.02  -0.03     0.00  -0.00   0.00     0.01   0.00   0.01
    11   6    -0.05   0.00   0.04     0.01   0.02   0.01    -0.01  -0.00   0.01
    12   6    -0.04   0.01  -0.00    -0.00   0.03  -0.00    -0.01  -0.00   0.01
    13   6    -0.04   0.02  -0.03    -0.01   0.02  -0.01    -0.00   0.01   0.01
    14   6    -0.04  -0.02   0.02    -0.01  -0.01   0.01     0.00   0.01  -0.01
    15   7     0.00   0.07   0.10     0.00  -0.00   0.01    -0.00  -0.00   0.00
    16   6    -0.03   0.04   0.00    -0.01  -0.01   0.00    -0.00  -0.00  -0.00
    17   6     0.02   0.04   0.01    -0.01  -0.01   0.00    -0.00  -0.00  -0.00
    18   7     0.03   0.05  -0.04    -0.00  -0.01   0.00     0.00  -0.00  -0.01
    19   6    -0.08  -0.04  -0.11    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.01  -0.01   0.12    -0.01   0.01   0.00    -0.00   0.00   0.00
    21   6     0.03  -0.02   0.08    -0.01   0.01   0.00    -0.00   0.00   0.00
    22   6     0.02  -0.05  -0.03    -0.01   0.01   0.00    -0.00   0.00   0.01
    23   7     0.02  -0.00  -0.04     0.00   0.00  -0.01    -0.00  -0.02   0.01
    24   7     0.00  -0.03  -0.04     0.01  -0.00  -0.01     0.00  -0.02  -0.01
    25   7    -0.06   0.05  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.01
    26   6     0.01  -0.01  -0.05     0.04  -0.04  -0.02    -0.02   0.02   0.01
    27   6    -0.00  -0.01  -0.03     0.07  -0.08  -0.06    -0.06   0.07   0.05
    28   6    -0.01  -0.02   0.01     0.07  -0.07  -0.07    -0.06   0.06   0.07
    29   6    -0.01  -0.03   0.01     0.03  -0.03  -0.05    -0.03   0.02   0.03
    30   6     0.02  -0.00   0.03     0.02   0.03  -0.03     0.03   0.02  -0.01
    31   6     0.01  -0.01   0.03     0.04   0.05  -0.06     0.06   0.07  -0.08
    32   6     0.00   0.00  -0.01     0.04   0.06  -0.06     0.06   0.07  -0.10
    33   6     0.00   0.01  -0.04     0.02   0.03  -0.03     0.02   0.02  -0.05
    34   6    -0.03   0.03  -0.05     0.01  -0.00   0.02     0.01  -0.01   0.01
    35   6    -0.02   0.02  -0.03     0.01  -0.01   0.03     0.02  -0.02   0.03
    36   6    -0.03   0.02  -0.04     0.01  -0.02   0.02     0.02  -0.02   0.03
    37   6    -0.05   0.04  -0.06    -0.00  -0.02   0.00     0.01  -0.01   0.01
    38   6    -0.03  -0.03   0.04    -0.05   0.10   0.07     0.04  -0.08  -0.05
    39   6     0.03  -0.05   0.05     0.01  -0.01  -0.04    -0.01   0.00   0.03
    40   6     0.04  -0.05   0.07     0.03  -0.04  -0.08    -0.03   0.03   0.07
    41   6     0.03  -0.02   0.07    -0.07   0.10   0.06     0.06  -0.08  -0.04
    42   6     0.00   0.08  -0.01    -0.07   0.05   0.09     0.06  -0.04  -0.08
    43   6     0.02   0.06  -0.06     0.03  -0.09  -0.02    -0.03   0.07   0.02
    44   6     0.02   0.03  -0.06     0.00  -0.04   0.00     0.00   0.03  -0.01
    45   6    -0.04   0.05  -0.02    -0.04   0.06   0.09     0.03  -0.05  -0.07
    46   6    -0.02  -0.05  -0.01    -0.04  -0.05   0.07    -0.04  -0.09   0.07
    47   6    -0.02  -0.01  -0.05     0.01   0.01  -0.02    -0.01   0.00  -0.04
    48   6    -0.04  -0.03  -0.05     0.03   0.03  -0.05     0.01   0.04  -0.09
    49   6    -0.05  -0.02  -0.02    -0.04  -0.06   0.07    -0.07  -0.08   0.07
    50   6     0.00   0.06   0.04    -0.04  -0.05   0.08    -0.04  -0.04   0.11
    51   6     0.00   0.06   0.06     0.02   0.05  -0.04     0.04   0.08  -0.03
    52   6     0.01   0.06   0.05     0.01   0.02  -0.01     0.01   0.03   0.01
    53   6     0.04   0.02   0.03    -0.04  -0.05   0.07    -0.02  -0.05   0.09
    54   6     0.05  -0.05   0.07    -0.02  -0.00  -0.02    -0.02   0.02  -0.03
    55   6    -0.03   0.02  -0.05     0.01  -0.02  -0.01     0.01  -0.01   0.00
    56   6    -0.01   0.01  -0.04     0.02  -0.03  -0.01     0.02  -0.02   0.02
    57   6     0.05  -0.05   0.06    -0.00  -0.00  -0.04    -0.02   0.02  -0.03
    58   6     0.05  -0.03   0.06    -0.01   0.04  -0.02    -0.02   0.02  -0.03
    59   6    -0.01   0.03  -0.02     0.01   0.02   0.03     0.02  -0.01   0.02
    60   6    -0.02   0.04  -0.03     0.01   0.01   0.02     0.00  -0.00   0.01
    61   6     0.04  -0.03   0.07    -0.03   0.02  -0.01    -0.02   0.02  -0.03
    62   8    -0.03  -0.03  -0.03     0.00   0.00  -0.01     0.00   0.00   0.00
    63  15    -0.01   0.02   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
    64   8     0.04  -0.00  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    65   8     0.01   0.01   0.06    -0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    67   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    69   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    70   1     0.05  -0.07   0.16     0.01  -0.04   0.01     0.01  -0.01   0.04
    71   1     0.03   0.03   0.20    -0.01   0.03   0.00     0.01   0.00   0.04
    72   1    -0.04  -0.06  -0.08    -0.04  -0.01   0.01    -0.01  -0.01  -0.02
    73   1    -0.04   0.02   0.09     0.01   0.04   0.04    -0.01  -0.00  -0.00
    74   1    -0.06   0.03  -0.06    -0.03   0.02  -0.02     0.01   0.01   0.01
    75   1    -0.07  -0.07   0.07    -0.02  -0.03   0.02     0.01   0.02  -0.02
    76   1    -0.17  -0.11  -0.25     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    77   1    -0.02  -0.04   0.16    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    78   1     0.05  -0.11  -0.16    -0.03   0.01   0.01    -0.00   0.00   0.01
    79   1    -0.04  -0.02   0.05    -0.16   0.24   0.20     0.13  -0.19  -0.16
    80   1     0.06  -0.02   0.03    -0.01  -0.01  -0.02     0.02  -0.01   0.01
    81   1     0.03  -0.05   0.07     0.06  -0.06  -0.10    -0.05   0.06   0.09
    82   1     0.03  -0.02   0.10    -0.17   0.23   0.17     0.14  -0.19  -0.13
    83   1    -0.03   0.13   0.02    -0.16   0.15   0.21     0.13  -0.12  -0.16
    84   1     0.01   0.06  -0.06     0.05  -0.12  -0.05    -0.05   0.10   0.05
    85   1     0.05   0.02  -0.04    -0.02  -0.03  -0.00     0.03   0.01  -0.01
    86   1    -0.08   0.09   0.02    -0.14   0.19   0.20     0.11  -0.15  -0.16
    87   1    -0.04  -0.08   0.02    -0.11  -0.15   0.19    -0.13  -0.21   0.24
    88   1    -0.03   0.01  -0.04     0.01   0.00  -0.01    -0.03  -0.00  -0.00
    89   1    -0.04  -0.05  -0.03     0.04   0.05  -0.07     0.03   0.06  -0.12
    90   1    -0.07  -0.05   0.02    -0.10  -0.14   0.18    -0.16  -0.20   0.21
    91   1     0.03   0.10   0.03    -0.11  -0.13   0.19    -0.11  -0.12   0.22
    92   1     0.01   0.05   0.06     0.04   0.07  -0.07     0.07   0.11  -0.07
    93   1    -0.02   0.07   0.01    -0.00   0.01  -0.00    -0.02   0.02   0.02
    94   1     0.05   0.03  -0.01    -0.10  -0.15   0.19    -0.10  -0.16   0.22
    95   1     0.13  -0.13   0.19    -0.04   0.02  -0.05    -0.05   0.05  -0.08
    96   1    -0.03   0.04  -0.06     0.02  -0.00  -0.01     0.00   0.00  -0.01
    97   1    -0.01   0.01  -0.03     0.03  -0.04   0.00     0.03  -0.03   0.03
    98   1     0.13  -0.14   0.18    -0.02   0.01  -0.07    -0.05   0.04  -0.08
    99   1     0.11  -0.09   0.15    -0.04   0.07  -0.05    -0.05   0.05  -0.07
   100   1    -0.02   0.03  -0.02     0.02   0.01   0.04     0.02  -0.02   0.04
   101   1    -0.03   0.05  -0.05     0.01   0.01   0.00    -0.00   0.00  -0.00
   102   1     0.11  -0.09   0.16    -0.06   0.05  -0.06    -0.05   0.05  -0.08
   103   1    -0.01   0.00  -0.10    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   104   1    -0.05  -0.01  -0.04    -0.00  -0.00   0.00    -0.00   0.00   0.00
   105   1    -0.02  -0.06   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
   106   1    -0.01  -0.00  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
   107   1    -0.01   0.02   0.02    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
   108   1    -0.01   0.00  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
   109   1     0.05  -0.06  -0.01    -0.00   0.01   0.00    -0.00  -0.00  -0.00
   110   1    -0.03   0.00   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
   111   1     0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00  -0.01   0.00
   112   1     0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
   113  17     0.01  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --    436.3148               439.9379               440.6270
 Red. masses --      3.5208                 5.9092                 5.0017
 Frc consts  --      0.3949                 0.6738                 0.5722
 IR Inten    --      2.2682                12.7584                 6.1607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.01    -0.01  -0.01   0.00     0.01   0.02   0.03
     2   6     0.01  -0.02   0.03     0.01  -0.01  -0.01    -0.02   0.02  -0.07
     3   6     0.01  -0.01  -0.02     0.02  -0.00  -0.01    -0.02   0.01   0.08
     4   6     0.01   0.00  -0.02     0.02  -0.02  -0.01    -0.01   0.01   0.05
     5   6     0.00   0.01   0.03     0.01  -0.02  -0.00    -0.02  -0.01  -0.10
     6   6    -0.01  -0.01  -0.01    -0.00  -0.03   0.01     0.01   0.03   0.06
     7   6     0.01  -0.01  -0.01     0.02   0.00  -0.00    -0.01  -0.00   0.07
     8   6     0.00   0.00   0.00     0.03  -0.00  -0.02     0.00   0.02   0.05
     9   6    -0.00   0.02   0.00     0.03  -0.01  -0.00     0.02   0.01   0.01
    10   6     0.01   0.01  -0.02     0.02  -0.02   0.00     0.00   0.02   0.03
    11   6    -0.00  -0.00   0.01    -0.00   0.03   0.02     0.05  -0.03  -0.07
    12   6    -0.01  -0.00  -0.01    -0.02   0.03   0.01     0.01  -0.04  -0.01
    13   6     0.00   0.00  -0.02    -0.03   0.04   0.02     0.03  -0.02   0.04
    14   6    -0.01  -0.00   0.02     0.00   0.00  -0.01     0.04   0.04  -0.03
    15   7    -0.00   0.02   0.01     0.04   0.01   0.05    -0.01  -0.04  -0.10
    16   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00  -0.01  -0.04
    17   6     0.00   0.01   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.04
    18   7     0.01   0.02  -0.01     0.01  -0.01   0.00    -0.00   0.01  -0.01
    19   6    -0.02  -0.02  -0.04     0.02  -0.02  -0.04     0.03   0.04   0.09
    20   6     0.01   0.00   0.05     0.00   0.04   0.01    -0.00  -0.04  -0.06
    21   6     0.01  -0.00   0.03    -0.03   0.04   0.02    -0.00  -0.03  -0.05
    22   6     0.00  -0.02   0.00    -0.03   0.02  -0.03     0.02   0.02   0.04
    23   7     0.01   0.00  -0.03    -0.01   0.02  -0.01     0.01  -0.00   0.01
    24   7    -0.01  -0.00  -0.00     0.02  -0.03  -0.04    -0.05   0.02   0.04
    25   7    -0.03   0.02  -0.04    -0.02  -0.02   0.04     0.01  -0.02   0.01
    26   6    -0.00  -0.00  -0.02     0.00  -0.00  -0.03    -0.03  -0.01  -0.10
    27   6    -0.00  -0.01  -0.02    -0.03   0.02   0.01    -0.02  -0.06  -0.11
    28   6    -0.00  -0.02  -0.00    -0.04   0.01   0.03    -0.04  -0.06  -0.01
    29   6    -0.01  -0.01   0.01    -0.02  -0.02   0.01    -0.06  -0.03   0.08
    30   6     0.01  -0.02   0.03    -0.03   0.01  -0.06     0.01   0.01   0.01
    31   6    -0.01  -0.05   0.06    -0.04   0.02  -0.02     0.02   0.00  -0.01
    32   6    -0.02  -0.04   0.04    -0.04   0.02   0.04     0.02  -0.02  -0.01
    33   6    -0.00  -0.01  -0.01    -0.02   0.03   0.06     0.01  -0.03  -0.01
    34   6     0.02  -0.02   0.04    -0.02   0.02   0.11    -0.02   0.00   0.01
    35   6     0.08  -0.08   0.12    -0.05  -0.01   0.06    -0.02   0.01  -0.00
    36   6     0.08  -0.08   0.11    -0.08  -0.05  -0.02    -0.01   0.01  -0.01
    37   6     0.02  -0.02   0.02    -0.06  -0.07  -0.05     0.01  -0.01  -0.00
    38   6    -0.01  -0.01   0.01    -0.01  -0.04  -0.01    -0.06  -0.08   0.03
    39   6     0.01  -0.01   0.02     0.02  -0.02   0.03     0.02  -0.04   0.10
    40   6     0.02  -0.02   0.03     0.01  -0.00   0.06     0.07  -0.11   0.12
    41   6     0.01  -0.01   0.03     0.03  -0.04   0.02     0.04  -0.07   0.13
    42   6    -0.00   0.03  -0.01     0.01   0.02  -0.04    -0.00   0.17  -0.06
    43   6     0.01   0.02  -0.03    -0.01   0.05  -0.02     0.07   0.10  -0.14
    44   6     0.01   0.02  -0.02     0.01   0.01  -0.03     0.03   0.08  -0.08
    45   6    -0.02   0.02  -0.01    -0.02  -0.00  -0.02    -0.11   0.06  -0.03
    46   6     0.02   0.00  -0.05    -0.01   0.08   0.01     0.01  -0.02  -0.01
    47   6    -0.02  -0.01  -0.02     0.05   0.02   0.06    -0.02  -0.01  -0.02
    48   6    -0.05  -0.04   0.00     0.08   0.03   0.10    -0.03  -0.01  -0.03
    49   6    -0.01   0.02  -0.06     0.09   0.06   0.05    -0.03  -0.02  -0.02
    50   6     0.03   0.07  -0.02    -0.03  -0.09  -0.06     0.00   0.02   0.03
    51   6    -0.01   0.01   0.07    -0.03  -0.09  -0.08     0.02   0.03   0.02
    52   6     0.00   0.02   0.03    -0.01  -0.05  -0.07     0.01   0.01   0.01
    53   6     0.05   0.04  -0.03    -0.07  -0.01  -0.02     0.02  -0.01   0.01
    54   6    -0.06   0.05  -0.10    -0.06  -0.12  -0.00    -0.00  -0.01   0.00
    55   6     0.01  -0.01   0.00     0.05  -0.09  -0.11    -0.00  -0.01  -0.00
    56   6     0.06  -0.06   0.07     0.08  -0.13  -0.16    -0.01  -0.01  -0.01
    57   6    -0.06   0.06  -0.11     0.08  -0.13  -0.11     0.01  -0.01   0.00
    58   6    -0.07   0.08  -0.11     0.01   0.17   0.05     0.01   0.01   0.02
    59   6     0.06  -0.05   0.09     0.03   0.18   0.10     0.00   0.03  -0.00
    60   6     0.01   0.00   0.02     0.03   0.11   0.09     0.01   0.01   0.00
    61   6    -0.07   0.07  -0.09    -0.10   0.06   0.05    -0.01  -0.00   0.02
    62   8    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02     0.03   0.02   0.05
    63  15    -0.00   0.01   0.01    -0.00  -0.00   0.02    -0.00  -0.02  -0.04
    64   8     0.01  -0.01  -0.01     0.01   0.02  -0.02    -0.06  -0.01   0.04
    65   8     0.00   0.00   0.01    -0.02  -0.00   0.01    -0.00  -0.02  -0.05
    66   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02     0.01   0.01   0.05
    67   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.02   0.02
    68   6     0.00  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00   0.01
    69   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00     0.00   0.01   0.00
    70   1     0.01  -0.02   0.06     0.02  -0.03  -0.01    -0.04   0.02  -0.20
    71   1     0.00   0.02   0.07    -0.00  -0.00  -0.00    -0.02  -0.04  -0.24
    72   1    -0.03  -0.01  -0.02     0.01  -0.03   0.03     0.02   0.03   0.09
    73   1    -0.01  -0.00   0.03     0.02   0.06   0.01     0.06  -0.03  -0.14
    74   1     0.01   0.01  -0.03    -0.05   0.04   0.02     0.08  -0.04   0.10
    75   1    -0.02  -0.01   0.04    -0.02  -0.02  -0.02     0.07   0.08  -0.11
    76   1    -0.05  -0.04  -0.09     0.02  -0.04  -0.08     0.06   0.10   0.22
    77   1    -0.00  -0.01   0.06     0.03   0.09   0.01    -0.00  -0.04  -0.07
    78   1     0.01  -0.05  -0.06    -0.05   0.01  -0.07     0.06   0.07   0.15
    79   1    -0.02  -0.00   0.02     0.02  -0.07  -0.05    -0.05  -0.08  -0.01
    80   1     0.02   0.00   0.02     0.05  -0.02  -0.00     0.06   0.04   0.08
    81   1     0.02  -0.03   0.02    -0.01   0.01   0.08     0.10  -0.15   0.09
    82   1     0.01  -0.01   0.05     0.06  -0.09   0.01     0.07  -0.13   0.14
    83   1    -0.01   0.06   0.00     0.02   0.03  -0.05    -0.07   0.31  -0.01
    84   1     0.01   0.02  -0.03    -0.02   0.08   0.00     0.08   0.10  -0.15
    85   1     0.02   0.02  -0.00     0.04  -0.01  -0.02     0.08   0.09   0.02
    86   1    -0.04   0.04   0.02    -0.01  -0.01  -0.03    -0.19   0.14   0.09
    87   1     0.05   0.04  -0.10     0.01   0.11  -0.06     0.02  -0.02   0.00
    88   1    -0.02   0.02  -0.02     0.08  -0.03   0.01    -0.03   0.01   0.00
    89   1    -0.06  -0.06   0.03     0.09   0.04   0.09    -0.03  -0.00  -0.04
    90   1     0.01   0.05  -0.10     0.14   0.12   0.03    -0.05  -0.03  -0.04
    91   1     0.08   0.14  -0.09    -0.06  -0.14  -0.05    -0.00   0.01   0.04
    92   1    -0.02  -0.01   0.08    -0.03  -0.11  -0.07     0.02   0.03   0.02
    93   1    -0.01   0.04   0.00     0.05  -0.05  -0.03    -0.01   0.01   0.01
    94   1     0.10   0.10  -0.12    -0.09  -0.02   0.02     0.01  -0.02   0.03
    95   1    -0.18   0.16  -0.26    -0.03  -0.13   0.07     0.01  -0.02   0.01
    96   1    -0.01   0.02  -0.03     0.13  -0.00  -0.07     0.00  -0.01   0.00
    97   1     0.10  -0.10   0.13     0.09  -0.14  -0.15    -0.01  -0.00  -0.02
    98   1    -0.16   0.16  -0.25     0.14  -0.22  -0.11     0.01  -0.01   0.01
    99   1    -0.18   0.18  -0.26    -0.03   0.26   0.01     0.02   0.02   0.05
   100   1     0.09  -0.08   0.14     0.02   0.19   0.08     0.00   0.03  -0.01
   101   1    -0.02   0.02  -0.03     0.10   0.07   0.01     0.02   0.00   0.00
   102   1    -0.19   0.19  -0.28    -0.15   0.09  -0.03     0.01  -0.03   0.03
   103   1    -0.00   0.00  -0.02    -0.01  -0.00  -0.03     0.02  -0.00   0.11
   104   1    -0.01   0.00  -0.01    -0.02  -0.01  -0.02     0.06   0.02   0.03
   105   1    -0.01  -0.02   0.00    -0.00  -0.01  -0.01     0.01   0.05   0.00
   106   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.02   0.02   0.03
   107   1    -0.00   0.01   0.01    -0.01  -0.01  -0.01     0.02   0.00  -0.01
   108   1    -0.00   0.00  -0.01     0.00   0.01  -0.01     0.03  -0.02   0.05
   109   1     0.01  -0.02  -0.00     0.02  -0.01  -0.00    -0.02   0.04   0.01
   110   1    -0.00  -0.00   0.01    -0.02   0.01  -0.00    -0.02  -0.00  -0.02
   111   1    -0.00   0.00  -0.00     0.01   0.03  -0.01     0.01   0.01   0.01
   112   1     0.00  -0.01  -0.00     0.01   0.02  -0.01    -0.00   0.04  -0.00
   113  17     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --    447.3331               454.2754               458.2854
 Red. masses --      5.2746                 4.2008                 3.4475
 Frc consts  --      0.6219                 0.5108                 0.4266
 IR Inten    --      8.8044                35.6313                 5.1609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00   0.04    -0.01   0.01   0.04    -0.02  -0.05   0.01
     2   6    -0.05   0.01   0.04    -0.01  -0.01  -0.13     0.02  -0.05   0.02
     3   6    -0.02   0.04  -0.04     0.03   0.01   0.16     0.05  -0.01  -0.03
     4   6    -0.03   0.09  -0.03     0.00   0.05   0.10     0.04   0.01  -0.03
     5   6    -0.07   0.11  -0.04    -0.04   0.05  -0.16     0.01   0.02  -0.01
     6   6    -0.09   0.07   0.03    -0.02   0.06   0.11    -0.03  -0.03   0.02
     7   6     0.02   0.02  -0.06     0.04  -0.02   0.09     0.04   0.00  -0.02
     8   6     0.00  -0.01  -0.04     0.03  -0.08  -0.05     0.03  -0.00  -0.01
     9   6    -0.01  -0.01  -0.00    -0.00  -0.03  -0.03    -0.00   0.00   0.02
    10   6    -0.04   0.02   0.02    -0.01   0.02   0.02     0.01  -0.00   0.01
    11   6    -0.01  -0.01   0.05     0.03   0.05  -0.02     0.01   0.03   0.04
    12   6     0.00  -0.01  -0.01    -0.03   0.05  -0.02    -0.01   0.03   0.02
    13   6    -0.01  -0.02  -0.03    -0.10  -0.03   0.05    -0.01   0.03   0.01
    14   6    -0.03  -0.04   0.04    -0.03  -0.08  -0.10     0.01  -0.00   0.00
    15   7     0.03  -0.01   0.03     0.02   0.04   0.07    -0.02  -0.02   0.01
    16   6     0.07  -0.08   0.01    -0.00   0.01   0.02    -0.04  -0.03  -0.01
    17   6    -0.01  -0.08  -0.00    -0.02  -0.01  -0.02    -0.02  -0.03  -0.00
    18   7    -0.01  -0.07   0.05    -0.02  -0.00  -0.04     0.01  -0.01   0.01
    19   6     0.14  -0.01   0.02    -0.02  -0.01  -0.02    -0.03   0.00   0.03
    20   6     0.05   0.07  -0.10     0.00  -0.02   0.03    -0.05   0.02   0.00
    21   6    -0.03   0.08  -0.04     0.01  -0.00   0.06    -0.03   0.02  -0.01
    22   6    -0.06   0.05  -0.00     0.00  -0.02   0.03    -0.03   0.01   0.01
    23   7     0.03   0.03  -0.06     0.01   0.02  -0.02     0.02   0.02  -0.04
    24   7     0.01  -0.01  -0.01     0.04  -0.03  -0.07     0.02  -0.02  -0.03
    25   7     0.06  -0.04   0.11    -0.02   0.02  -0.02    -0.00  -0.01   0.02
    26   6    -0.00   0.01   0.02     0.05  -0.04  -0.03    -0.00   0.00  -0.01
    27   6    -0.00   0.02   0.02     0.01   0.00   0.02    -0.02   0.01   0.01
    28   6     0.01   0.01   0.00    -0.03   0.03   0.04    -0.02  -0.00   0.00
    29   6     0.01  -0.00  -0.02    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    30   6     0.05  -0.01   0.07     0.05   0.06  -0.06     0.01   0.01  -0.03
    31   6     0.04  -0.08   0.07     0.03   0.02  -0.03    -0.01  -0.00   0.01
    32   6     0.05  -0.06  -0.01    -0.01  -0.05   0.04    -0.02  -0.00   0.03
    33   6     0.04  -0.02  -0.10    -0.02  -0.06   0.04    -0.01   0.01   0.00
    34   6     0.02  -0.00   0.07     0.01   0.00  -0.02    -0.09   0.09  -0.14
    35   6    -0.05   0.01  -0.03     0.02  -0.01   0.00    -0.06   0.06  -0.10
    36   6    -0.07  -0.01  -0.05     0.02  -0.01   0.01     0.06  -0.06   0.09
    37   6    -0.02  -0.06   0.02    -0.01   0.01  -0.00     0.10  -0.09   0.14
    38   6     0.01   0.01   0.00     0.02  -0.01  -0.01    -0.01  -0.00   0.00
    39   6     0.00  -0.00  -0.01     0.02  -0.00  -0.00     0.01  -0.02  -0.00
    40   6    -0.01   0.01  -0.01    -0.01   0.03   0.01     0.00  -0.00   0.02
    41   6    -0.00   0.01  -0.01     0.02  -0.01  -0.02     0.00  -0.01   0.02
    42   6     0.01  -0.02   0.00    -0.01  -0.01   0.03     0.00   0.00  -0.02
    43   6    -0.01  -0.01   0.02    -0.03  -0.01   0.03    -0.01   0.02  -0.00
    44   6    -0.00  -0.01   0.01     0.01  -0.05  -0.02     0.00  -0.00  -0.01
    45   6     0.02  -0.01  -0.00     0.00   0.01   0.03    -0.01  -0.01  -0.01
    46   6     0.04  -0.08  -0.00     0.03   0.01  -0.04    -0.00   0.01  -0.00
    47   6    -0.02  -0.00  -0.07    -0.02  -0.02   0.01     0.01   0.01  -0.00
    48   6    -0.10  -0.06  -0.07    -0.03  -0.02  -0.01     0.01  -0.01   0.02
    49   6    -0.08  -0.07  -0.08     0.00   0.01  -0.05     0.01   0.02   0.00
    50   6     0.06   0.12   0.05    -0.01  -0.01   0.05    -0.01  -0.00  -0.00
    51   6     0.01   0.08   0.12     0.01   0.02   0.02    -0.01  -0.01   0.01
    52   6     0.01   0.05   0.05     0.02   0.04  -0.02     0.00   0.02  -0.01
    53   6     0.10   0.00  -0.01    -0.00  -0.03   0.04    -0.01   0.00   0.01
    54   6    -0.03  -0.04   0.01     0.01   0.01  -0.00    -0.06   0.04  -0.09
    55   6     0.04  -0.05  -0.01    -0.00   0.01  -0.01     0.05  -0.05   0.04
    56   6     0.02  -0.03  -0.09     0.00   0.01   0.02     0.02  -0.02   0.00
    57   6     0.04  -0.07  -0.03    -0.01   0.01   0.00    -0.04   0.05  -0.09
    58   6     0.00   0.05   0.04    -0.00  -0.01  -0.02     0.06  -0.04   0.08
    59   6    -0.02   0.07   0.00     0.00  -0.02   0.00    -0.01   0.03  -0.01
    60   6     0.01  -0.00   0.05    -0.01  -0.00  -0.01    -0.03   0.05  -0.04
    61   6    -0.04  -0.00   0.02     0.01   0.00  -0.01     0.05  -0.04   0.09
    62   8    -0.02  -0.00  -0.01    -0.03  -0.04  -0.04     0.01   0.02  -0.01
    63  15    -0.01   0.01   0.01    -0.00   0.03   0.04     0.01  -0.00  -0.00
    64   8     0.01   0.01  -0.02     0.07  -0.00  -0.04     0.00   0.01   0.00
    65   8     0.01   0.01   0.01     0.01   0.03   0.07     0.01   0.00  -0.02
    66   6    -0.00  -0.00  -0.02    -0.01  -0.01  -0.06    -0.00  -0.00   0.01
    67   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.00  -0.00  -0.00
    68   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    69   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    70   1    -0.05   0.00   0.04    -0.04  -0.02  -0.37     0.04  -0.09   0.04
    71   1    -0.08   0.14  -0.07    -0.07   0.03  -0.43    -0.01   0.06  -0.00
    72   1    -0.17   0.08   0.01    -0.05   0.07   0.15    -0.06  -0.03   0.03
    73   1    -0.04  -0.04   0.13     0.07   0.10  -0.07     0.02   0.05   0.05
    74   1    -0.02  -0.02  -0.05    -0.21  -0.03   0.09    -0.03   0.04  -0.02
    75   1    -0.05  -0.06   0.11    -0.04  -0.12  -0.15    -0.01  -0.03   0.00
    76   1     0.25   0.02   0.09    -0.06  -0.04  -0.08     0.01   0.02   0.06
    77   1     0.12   0.18  -0.13    -0.02  -0.05  -0.00    -0.05   0.03   0.01
    78   1    -0.15   0.09   0.09     0.02  -0.03   0.00    -0.07   0.03   0.06
    79   1    -0.00   0.02   0.01     0.05  -0.05  -0.06    -0.03   0.01   0.01
    80   1    -0.00  -0.01  -0.01     0.03  -0.03  -0.02     0.03  -0.01  -0.01
    81   1    -0.02   0.02  -0.00    -0.02   0.04   0.02    -0.01   0.01   0.04
    82   1    -0.01   0.02  -0.00     0.05  -0.06  -0.05    -0.00  -0.00   0.04
    83   1     0.02  -0.05  -0.02    -0.05   0.00   0.08     0.01  -0.01  -0.03
    84   1    -0.01  -0.01   0.02    -0.06   0.03   0.06    -0.01   0.03   0.00
    85   1    -0.01  -0.01  -0.01     0.01  -0.06  -0.04     0.02  -0.02  -0.01
    86   1     0.04  -0.03  -0.03    -0.02   0.07   0.05     0.00  -0.03  -0.02
    87   1     0.03  -0.10   0.06     0.09   0.09  -0.13    -0.00   0.02  -0.03
    88   1    -0.04   0.08  -0.04    -0.01   0.02  -0.00     0.02   0.01  -0.03
    89   1    -0.15  -0.09  -0.03    -0.02  -0.00  -0.03     0.00  -0.02   0.03
    90   1    -0.14  -0.14  -0.06     0.04   0.08  -0.15     0.03   0.04  -0.00
    91   1     0.12   0.22   0.01    -0.07  -0.07   0.16    -0.02  -0.02   0.02
    92   1    -0.01   0.08   0.13    -0.02  -0.00   0.06    -0.02  -0.03   0.03
    93   1    -0.05   0.08  -0.03     0.00   0.03  -0.02     0.02   0.03  -0.02
    94   1     0.14   0.05  -0.12    -0.06  -0.12   0.14    -0.02  -0.02   0.02
    95   1    -0.02  -0.04   0.06     0.00   0.01  -0.01    -0.21   0.19  -0.33
    96   1     0.10  -0.03   0.04    -0.02   0.01  -0.02     0.04  -0.03   0.02
    97   1    -0.00  -0.00  -0.13     0.01  -0.00   0.03    -0.04   0.03  -0.07
    98   1     0.07  -0.11  -0.04    -0.01   0.01   0.00    -0.18   0.19  -0.30
    99   1    -0.00   0.06   0.03    -0.00  -0.03  -0.02     0.21  -0.18   0.29
   100   1    -0.04   0.11  -0.04     0.00  -0.04   0.02     0.03  -0.02   0.06
   101   1     0.07  -0.04   0.06    -0.03   0.01  -0.01    -0.01   0.03  -0.01
   102   1    -0.04  -0.00   0.02     0.01   0.02  -0.01     0.21  -0.19   0.32
   103   1    -0.00   0.00  -0.03    -0.02   0.01  -0.13    -0.00  -0.00   0.01
   104   1    -0.01  -0.00  -0.02    -0.07  -0.01  -0.03     0.00  -0.00   0.01
   105   1    -0.01  -0.02   0.00    -0.02  -0.06   0.00     0.01   0.02  -0.01
   106   1    -0.00   0.00  -0.00    -0.02  -0.01  -0.02    -0.00  -0.01  -0.01
   107   1    -0.00   0.00   0.01    -0.02   0.00   0.02    -0.00  -0.01  -0.02
   108   1    -0.02   0.01  -0.01    -0.04   0.03  -0.06    -0.00  -0.00   0.02
   109   1    -0.01  -0.00  -0.00     0.03  -0.05  -0.02    -0.02   0.02   0.00
   110   1     0.03  -0.00   0.01     0.03   0.00   0.03     0.02  -0.00  -0.00
   111   1    -0.01  -0.03   0.00    -0.02  -0.03  -0.01    -0.01  -0.02   0.01
   112   1    -0.01  -0.03   0.00    -0.00  -0.06   0.00    -0.01  -0.01   0.00
   113  17     0.00   0.00   0.00     0.01  -0.00  -0.01     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --    459.3848               459.8354               461.6884
 Red. masses --      3.2745                 5.0123                 3.4937
 Frc consts  --      0.4071                 0.6244                 0.4388
 IR Inten    --      6.4029                12.0472                 5.6699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.05   0.09  -0.02    -0.01  -0.01   0.02
     2   6    -0.00   0.01  -0.01    -0.03   0.10  -0.05     0.00  -0.02  -0.07
     3   6    -0.01   0.00  -0.00    -0.11   0.01   0.07     0.03   0.00   0.06
     4   6    -0.01  -0.00  -0.01    -0.08  -0.03   0.08     0.01   0.02   0.03
     5   6    -0.00  -0.00   0.01    -0.02  -0.05   0.01    -0.01   0.01  -0.08
     6   6     0.00   0.01  -0.00     0.06   0.06  -0.03    -0.01   0.01   0.07
     7   6    -0.01  -0.00   0.02    -0.10  -0.01   0.05     0.03  -0.01   0.04
     8   6    -0.01  -0.00   0.02    -0.06   0.01   0.03     0.02  -0.03  -0.02
     9   6    -0.00  -0.00  -0.01     0.01   0.00  -0.04     0.01  -0.01   0.00
    10   6    -0.01  -0.00  -0.01    -0.02   0.01  -0.01     0.00   0.01   0.02
    11   6     0.00  -0.00  -0.00    -0.02  -0.06  -0.08     0.02   0.03  -0.01
    12   6     0.01  -0.00  -0.01     0.02  -0.07  -0.05    -0.02   0.03   0.00
    13   6     0.01  -0.00  -0.01     0.01  -0.07  -0.01    -0.04   0.00   0.03
    14   6    -0.00  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.03  -0.05
    15   7     0.00   0.00  -0.00     0.04   0.05  -0.00     0.00   0.00   0.02
    16   6     0.01   0.00   0.00     0.08   0.06  -0.01    -0.02   0.01   0.00
    17   6     0.00   0.01   0.01     0.04   0.06  -0.02    -0.01  -0.00  -0.01
    18   7    -0.00   0.00   0.00    -0.01   0.03  -0.02    -0.01   0.00  -0.02
    19   6     0.01  -0.00  -0.01     0.07  -0.01  -0.06    -0.03   0.00   0.00
    20   6     0.01  -0.00   0.01     0.12  -0.04   0.02    -0.02  -0.01   0.01
    21   6     0.00  -0.00   0.00     0.07  -0.03   0.04    -0.00  -0.01   0.02
    22   6     0.00  -0.00  -0.01     0.07  -0.02  -0.03    -0.00  -0.00   0.02
    23   7    -0.01  -0.00   0.01    -0.03  -0.04   0.10    -0.00   0.02  -0.02
    24   7     0.00   0.01   0.01    -0.05   0.04   0.06     0.02  -0.02  -0.04
    25   7    -0.00  -0.00  -0.00    -0.02   0.01  -0.04    -0.01   0.01  -0.01
    26   6     0.10  -0.12  -0.09    -0.04   0.05   0.07    -0.02   0.04   0.02
    27   6     0.07  -0.07  -0.06     0.01   0.01   0.01    -0.03   0.03   0.04
    28   6    -0.04   0.08   0.07     0.06  -0.03  -0.04     0.00  -0.03  -0.01
    29   6    -0.08   0.13   0.10     0.03  -0.01  -0.02     0.03  -0.07  -0.05
    30   6    -0.04  -0.05   0.06    -0.03  -0.03   0.06    -0.08  -0.09   0.10
    31   6    -0.03  -0.03   0.03     0.01   0.00  -0.03    -0.06  -0.06   0.08
    32   6     0.02   0.04  -0.04     0.04   0.01  -0.06     0.03   0.07  -0.07
    33   6     0.03   0.05  -0.05     0.01  -0.03   0.00     0.07   0.12  -0.12
    34   6    -0.02   0.02  -0.02    -0.09   0.07  -0.05     0.01  -0.01  -0.01
    35   6    -0.02   0.01  -0.01    -0.07   0.02  -0.01     0.02  -0.00   0.00
    36   6     0.01  -0.01   0.02     0.00  -0.06   0.07     0.01   0.01  -0.00
    37   6     0.01  -0.02   0.02     0.02  -0.07   0.05    -0.00   0.02  -0.01
    38   6     0.07  -0.05  -0.07    -0.00   0.03   0.03    -0.03   0.02   0.03
    39   6    -0.05   0.06   0.02    -0.00   0.00  -0.00     0.03  -0.04  -0.01
    40   6    -0.02   0.03  -0.03     0.01  -0.01  -0.03     0.01  -0.01   0.03
    41   6     0.03  -0.05  -0.09    -0.02   0.05   0.01    -0.01   0.02   0.04
    42   6    -0.06   0.04   0.08     0.02  -0.03   0.00     0.02  -0.02  -0.04
    43   6    -0.00  -0.05   0.01     0.01  -0.02  -0.00    -0.01   0.03  -0.00
    44   6     0.03  -0.07  -0.02    -0.02   0.04   0.03    -0.01   0.01   0.00
    45   6    -0.03   0.06   0.08     0.03  -0.01  -0.03     0.01  -0.02  -0.03
    46   6    -0.02  -0.02   0.04     0.01  -0.02   0.00    -0.05  -0.03   0.09
    47   6     0.02   0.02  -0.01    -0.03  -0.01   0.01     0.06   0.06  -0.03
    48   6     0.02   0.01   0.00    -0.01   0.02  -0.04     0.04   0.02   0.03
    49   6    -0.01  -0.03   0.04    -0.03  -0.03  -0.00    -0.01  -0.05   0.10
    50   6     0.02   0.01  -0.04     0.01   0.00   0.00     0.04   0.02  -0.10
    51   6    -0.00  -0.02  -0.01     0.03   0.01  -0.02    -0.02  -0.05  -0.02
    52   6    -0.02  -0.03   0.02    -0.01  -0.04   0.03    -0.03  -0.06   0.02
    53   6     0.01   0.03  -0.04     0.01   0.00  -0.02     0.01   0.06  -0.08
    54   6    -0.01   0.00  -0.01    -0.06   0.00  -0.03     0.01   0.00   0.00
    55   6     0.01  -0.01   0.01     0.02  -0.03   0.00    -0.01   0.01  -0.00
    56   6     0.01  -0.01  -0.01     0.03  -0.06  -0.03    -0.00   0.01   0.01
    57   6    -0.01   0.00  -0.02    -0.02  -0.02  -0.08    -0.00   0.01   0.01
    58   6     0.01   0.00   0.02     0.03   0.03   0.08    -0.00  -0.01  -0.02
    59   6     0.00   0.01   0.00     0.01   0.06   0.03     0.00  -0.02  -0.00
    60   6    -0.01   0.01  -0.01    -0.02   0.05  -0.03    -0.00  -0.00  -0.00
    61   6     0.00  -0.01   0.02    -0.01  -0.03   0.07     0.01   0.01  -0.01
    62   8    -0.01  -0.01  -0.00    -0.03  -0.06   0.00    -0.00   0.00  -0.01
    63  15    -0.00   0.01   0.01    -0.03   0.04   0.03     0.01  -0.01   0.01
    64   8     0.01  -0.01  -0.01     0.04  -0.05  -0.03     0.01   0.02  -0.00
    65   8     0.00   0.01   0.01     0.01   0.02   0.09    -0.02  -0.01  -0.00
    66   6     0.00  -0.00  -0.01     0.01  -0.00  -0.08    -0.01  -0.00   0.01
    67   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.01  -0.01
    68   6    -0.00   0.00  -0.00     0.00  -0.01  -0.01     0.00   0.00   0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.01  -0.00
    70   1    -0.00   0.02   0.01    -0.08   0.19  -0.11    -0.00  -0.04  -0.17
    71   1     0.00  -0.01   0.03     0.02  -0.15  -0.03    -0.03   0.01  -0.20
    72   1     0.01   0.01   0.00     0.15   0.05  -0.05    -0.02   0.01   0.08
    73   1     0.00  -0.00  -0.02    -0.05  -0.11  -0.10     0.05   0.06  -0.03
    74   1     0.01  -0.00  -0.01     0.06  -0.08   0.05    -0.09   0.00   0.05
    75   1     0.00   0.00  -0.00     0.01   0.06   0.01    -0.01  -0.05  -0.09
    76   1    -0.00  -0.01  -0.02    -0.02  -0.04  -0.13    -0.04  -0.00  -0.00
    77   1     0.01   0.00   0.00     0.11  -0.05   0.01    -0.04  -0.03   0.01
    78   1     0.01  -0.01  -0.02     0.16  -0.06  -0.12     0.01  -0.00   0.02
    79   1     0.21  -0.24  -0.25    -0.05   0.09   0.10    -0.09   0.10   0.09
    80   1    -0.05   0.02   0.01    -0.03   0.02   0.03     0.04  -0.03  -0.02
    81   1     0.02  -0.03  -0.08     0.00  -0.02  -0.04    -0.02   0.03   0.06
    82   1     0.16  -0.23  -0.26    -0.07   0.12   0.05    -0.05   0.08   0.12
    83   1    -0.20   0.20   0.25     0.07  -0.09  -0.05     0.07  -0.08  -0.09
    84   1    -0.04   0.01   0.07     0.04  -0.07  -0.05     0.00   0.02  -0.01
    85   1    -0.01  -0.04  -0.02    -0.04   0.06   0.03     0.01  -0.01  -0.01
    86   1    -0.17   0.26   0.26     0.08  -0.07  -0.09     0.06  -0.09  -0.10
    87   1    -0.08  -0.10   0.14     0.01  -0.04   0.06    -0.17  -0.20   0.29
    88   1     0.02   0.00  -0.00    -0.05  -0.02   0.06     0.06   0.02  -0.03
    89   1     0.00  -0.01   0.03    -0.00   0.04  -0.07     0.00  -0.03   0.10
    90   1    -0.06  -0.10   0.14    -0.06  -0.06   0.00    -0.10  -0.19   0.28
    91   1     0.07   0.09  -0.14     0.03   0.02  -0.04     0.14   0.16  -0.28
    92   1     0.01   0.01  -0.04     0.05   0.06  -0.06     0.02  -0.01  -0.07
    93   1    -0.00  -0.03   0.01    -0.03  -0.06   0.05     0.01  -0.04   0.01
    94   1     0.07   0.11  -0.14     0.03   0.03  -0.04     0.12   0.22  -0.27
    95   1    -0.04   0.03  -0.05    -0.15   0.09  -0.13     0.02  -0.01   0.01
    96   1     0.01  -0.00   0.00     0.03   0.03  -0.01    -0.02   0.00  -0.01
    97   1    -0.00  -0.00  -0.02     0.03  -0.04  -0.06    -0.00   0.00   0.03
    98   1    -0.03   0.02  -0.06    -0.08   0.03  -0.20     0.00   0.01   0.03
    99   1     0.03  -0.02   0.05     0.10  -0.01   0.20    -0.01  -0.01  -0.03
   100   1     0.01   0.00   0.01     0.06   0.04   0.08    -0.00  -0.02   0.00
   101   1     0.00   0.01  -0.01     0.02   0.04  -0.06    -0.01   0.00  -0.00
   102   1     0.03  -0.04   0.05     0.06  -0.13   0.17     0.00   0.02  -0.02
   103   1    -0.00   0.00  -0.02     0.00   0.02  -0.12    -0.01  -0.00   0.00
   104   1    -0.01   0.00  -0.01    -0.05   0.01  -0.04    -0.01  -0.01   0.00
   105   1    -0.01  -0.02   0.01    -0.05  -0.10   0.04     0.01   0.01  -0.01
   106   1    -0.00   0.00   0.00     0.00   0.04   0.03    -0.01  -0.02  -0.02
   107   1    -0.00   0.01   0.01    -0.00   0.06   0.07    -0.01  -0.02  -0.02
   108   1    -0.01   0.00  -0.01    -0.03   0.02  -0.08     0.01   0.01   0.00
   109   1     0.01  -0.01  -0.00     0.06  -0.09  -0.02     0.00   0.01   0.00
   110   1     0.01   0.00   0.01    -0.01   0.00   0.03    -0.01   0.00  -0.01
   111   1    -0.00  -0.01  -0.00    -0.01   0.01  -0.02     0.01   0.02  -0.00
   112   1    -0.00  -0.01   0.00     0.01  -0.04  -0.00     0.01   0.02  -0.00
   113  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --    466.8843               481.7613               483.3818
 Red. masses --      4.4471                 5.8797                 4.9575
 Frc consts  --      0.5712                 0.8040                 0.6825
 IR Inten    --      9.0413                19.4167                 4.5146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00  -0.05    -0.02   0.02  -0.15
     2   6     0.02  -0.04   0.00     0.04  -0.01   0.01    -0.00   0.03   0.00
     3   6     0.03  -0.01  -0.00     0.03  -0.02  -0.00    -0.01   0.03   0.03
     4   6     0.04  -0.02  -0.01     0.01   0.03  -0.07    -0.03   0.02  -0.12
     5   6     0.03  -0.03   0.01    -0.01   0.07   0.02    -0.02   0.06   0.10
     6   6     0.01  -0.06   0.00    -0.02   0.05   0.00    -0.03   0.06  -0.03
     7   6     0.00   0.00   0.01    -0.01  -0.05   0.08     0.02   0.01   0.20
     8   6    -0.01   0.02   0.03    -0.04  -0.09   0.06     0.01  -0.03   0.14
     9   6    -0.02   0.02  -0.03    -0.04   0.03   0.09     0.02  -0.06  -0.12
    10   6     0.02  -0.00  -0.01    -0.01   0.02  -0.01    -0.06  -0.06  -0.15
    11   6     0.01   0.00  -0.00    -0.00   0.00  -0.06     0.10   0.06  -0.07
    12   6     0.02   0.01  -0.00    -0.06  -0.01   0.06     0.04   0.03   0.02
    13   6     0.04   0.03  -0.00    -0.11  -0.06   0.03     0.03   0.02   0.07
    14   6     0.02   0.03   0.04    -0.03  -0.07  -0.15     0.08   0.03  -0.07
    15   7    -0.05  -0.00  -0.03    -0.01   0.04   0.00    -0.01  -0.06  -0.07
    16   6    -0.04  -0.07  -0.07     0.04   0.04   0.05     0.02   0.00   0.13
    17   6    -0.01  -0.06  -0.05     0.04   0.04   0.06    -0.01   0.01   0.16
    18   7     0.04  -0.00   0.04     0.01  -0.02  -0.02    -0.01  -0.03   0.03
    19   6     0.01   0.02   0.08     0.01  -0.02  -0.09    -0.01  -0.05  -0.04
    20   6    -0.04   0.01  -0.04     0.05   0.02   0.02    -0.03   0.04   0.02
    21   6    -0.03   0.01  -0.05     0.03   0.01   0.03    -0.05   0.03  -0.02
    22   6    -0.01   0.03   0.05     0.02  -0.02  -0.07    -0.09  -0.04  -0.08
    23   7     0.01  -0.00  -0.01    -0.00  -0.00  -0.02    -0.04  -0.03   0.01
    24   7    -0.01   0.01   0.01     0.01  -0.04  -0.03     0.02   0.01  -0.00
    25   7     0.01  -0.01   0.01     0.00   0.01  -0.01     0.01  -0.02   0.04
    26   6    -0.02   0.01   0.00     0.01  -0.02   0.00    -0.02   0.02  -0.02
    27   6    -0.01  -0.01  -0.01     0.01   0.02   0.02    -0.03  -0.01  -0.01
    28   6    -0.01  -0.02  -0.01     0.02   0.02   0.01    -0.03  -0.03  -0.01
    29   6    -0.01  -0.01   0.01     0.03   0.00  -0.03    -0.01  -0.03   0.00
    30   6    -0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.03  -0.03   0.02
    31   6    -0.02   0.00   0.01     0.01  -0.00   0.01     0.04  -0.01  -0.00
    32   6    -0.02   0.02   0.00    -0.00   0.01   0.01     0.01   0.02  -0.00
    33   6    -0.00   0.03  -0.00    -0.01   0.01  -0.01    -0.03  -0.00   0.01
    34   6     0.02  -0.02   0.02    -0.01   0.01   0.00     0.03  -0.01   0.01
    35   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.01   0.02  -0.03
    36   6    -0.00   0.01  -0.02    -0.02  -0.01   0.01     0.00   0.01  -0.02
    37   6     0.00   0.01  -0.01    -0.01  -0.02  -0.00     0.02  -0.00   0.03
    38   6    -0.02  -0.00  -0.00     0.02   0.01   0.03    -0.03  -0.00  -0.01
    39   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.01  -0.01  -0.00
    40   6     0.01  -0.02   0.01    -0.01   0.02  -0.01     0.01  -0.02   0.03
    41   6    -0.00  -0.01   0.02     0.01   0.03  -0.02    -0.01  -0.02   0.04
    42   6    -0.00   0.01  -0.02     0.01  -0.02   0.01    -0.01   0.02  -0.03
    43   6     0.01   0.01  -0.02    -0.01  -0.00   0.02     0.00   0.02  -0.02
    44   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.00   0.00
    45   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.02  -0.02  -0.00
    46   6    -0.02   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    47   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01  -0.02   0.01
    48   6     0.02   0.01   0.02     0.01  -0.01   0.01     0.01  -0.00  -0.02
    49   6     0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    50   6    -0.01  -0.01  -0.02     0.00   0.01   0.00     0.02   0.01   0.03
    51   6    -0.01  -0.02  -0.01    -0.01   0.00   0.01    -0.00   0.03   0.00
    52   6    -0.01   0.00  -0.00    -0.00   0.01   0.00    -0.02  -0.00   0.01
    53   6    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02  -0.01
    54   6     0.01   0.00   0.00    -0.02  -0.00   0.01     0.01   0.00  -0.02
    55   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01   0.01
    56   6    -0.01   0.01   0.00     0.01  -0.01  -0.01    -0.01   0.02  -0.01
    57   6     0.00   0.00   0.02    -0.00  -0.02  -0.01     0.01   0.01   0.01
    58   6    -0.01  -0.00  -0.01    -0.00   0.01   0.01     0.01  -0.02  -0.00
    59   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01  -0.01  -0.02
    60   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01   0.01
    61   6    -0.00   0.01  -0.02    -0.01  -0.01   0.01     0.01   0.01  -0.01
    62   8    -0.04  -0.04   0.01     0.06   0.09   0.20    -0.02  -0.01  -0.07
    63  15    -0.06   0.08   0.03    -0.07  -0.03  -0.12     0.03   0.01   0.05
    64   8     0.06  -0.13  -0.05    -0.18  -0.06   0.03     0.08   0.01  -0.01
    65   8     0.21   0.16   0.11     0.23   0.04  -0.10    -0.03   0.03   0.02
    66   6     0.02  -0.00  -0.16     0.04   0.03   0.01    -0.01  -0.01  -0.00
    67   6    -0.02  -0.00   0.02     0.03   0.06   0.05    -0.01  -0.02  -0.02
    68   6    -0.11   0.05  -0.05    -0.04  -0.01  -0.01    -0.02   0.03  -0.01
    69   6    -0.04  -0.12   0.02    -0.03  -0.07   0.02     0.00   0.00   0.00
    70   1     0.03  -0.07   0.01     0.05  -0.01   0.09     0.02   0.06   0.19
    71   1     0.02  -0.01   0.02    -0.01   0.09   0.10    -0.00   0.09   0.30
    72   1     0.01  -0.06   0.01    -0.05   0.06   0.06    -0.02   0.08   0.11
    73   1     0.01   0.00  -0.02     0.07   0.06  -0.22     0.19   0.12  -0.30
    74   1     0.07   0.03  -0.02    -0.17  -0.05  -0.01     0.03   0.03   0.05
    75   1     0.04   0.05   0.03     0.00  -0.05  -0.35     0.14   0.09  -0.27
    76   1     0.09   0.10   0.25    -0.03  -0.08  -0.22    -0.02  -0.13  -0.22
    77   1    -0.03   0.04  -0.00     0.05   0.01   0.01    -0.01   0.07  -0.01
    78   1    -0.02   0.11   0.21     0.01  -0.09  -0.20    -0.20  -0.11  -0.23
    79   1    -0.02   0.01   0.00     0.02   0.01   0.05    -0.05   0.02  -0.01
    80   1     0.00   0.02   0.01     0.01  -0.05  -0.01     0.03   0.02  -0.02
    81   1     0.02  -0.02   0.01    -0.05   0.03  -0.00     0.03  -0.01   0.04
    82   1    -0.01  -0.01   0.03    -0.01   0.05  -0.03    -0.01  -0.02   0.06
    83   1     0.01   0.01  -0.03     0.01  -0.02   0.02    -0.00   0.02  -0.04
    84   1     0.02   0.00  -0.03    -0.03   0.01   0.04     0.03   0.03  -0.03
    85   1     0.00   0.01   0.02     0.01  -0.02  -0.03     0.01  -0.01   0.03
    86   1    -0.01  -0.02  -0.01     0.02   0.01  -0.00    -0.02  -0.04  -0.00
    87   1    -0.04  -0.01   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02
    88   1     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.00  -0.03   0.03
    89   1     0.03  -0.00   0.03     0.00  -0.01   0.01     0.02   0.01  -0.03
    90   1     0.02   0.01   0.05     0.01   0.01   0.01     0.02   0.01   0.01
    91   1    -0.00  -0.00  -0.03     0.00   0.02   0.01     0.03   0.05   0.04
    92   1    -0.00  -0.02  -0.02    -0.01  -0.00   0.01    -0.00   0.06  -0.01
    93   1     0.01   0.00   0.00    -0.00   0.01  -0.01    -0.05  -0.01   0.01
    94   1    -0.00   0.02  -0.01     0.00  -0.01  -0.01     0.02  -0.04  -0.04
    95   1     0.03  -0.02   0.02    -0.02   0.01   0.01     0.01   0.00  -0.02
    96   1    -0.00  -0.01   0.01     0.01   0.02   0.00     0.02  -0.03   0.02
    97   1    -0.01   0.01   0.01     0.02  -0.01  -0.02    -0.04   0.03  -0.02
    98   1     0.01  -0.00   0.04     0.00  -0.03  -0.02    -0.00   0.02   0.01
    99   1    -0.03   0.02  -0.04    -0.00   0.01   0.02     0.00  -0.03  -0.02
   100   1    -0.01   0.00  -0.02     0.01   0.02   0.01    -0.04   0.00  -0.04
   101   1     0.01  -0.01   0.01     0.00  -0.00  -0.01     0.01  -0.01   0.04
   102   1    -0.02   0.02  -0.04    -0.00  -0.02   0.01     0.02   0.02   0.00
   103   1     0.01   0.04  -0.23     0.06   0.00   0.18    -0.02   0.01  -0.08
   104   1    -0.08   0.03  -0.07     0.16   0.05  -0.03    -0.07  -0.02   0.02
   105   1    -0.10  -0.20   0.08    -0.06  -0.01   0.07     0.02  -0.00  -0.02
   106   1     0.01   0.09   0.07     0.06   0.11   0.13    -0.02  -0.04  -0.05
   107   1     0.00   0.12   0.14     0.07   0.10   0.07    -0.03  -0.04  -0.02
   108   1    -0.16   0.02  -0.09    -0.02  -0.11   0.10    -0.02   0.04  -0.02
   109   1    -0.07  -0.09  -0.05    -0.13   0.04   0.01    -0.01   0.01  -0.01
   110   1     0.29  -0.01   0.11     0.14  -0.04   0.01     0.05   0.01   0.01
   111   1    -0.11  -0.31   0.05    -0.05  -0.20   0.08    -0.01  -0.02  -0.00
   112   1    -0.08  -0.35   0.05    -0.08  -0.14   0.04    -0.00  -0.03   0.00
   113  17    -0.00  -0.01  -0.00     0.00   0.00   0.02    -0.01  -0.01  -0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --    494.9252               527.8010               532.8891
 Red. masses --      4.1445                 5.3209                 5.2979
 Frc consts  --      0.5981                 0.8733                 0.8864
 IR Inten    --      7.7830                11.2648                 0.8248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05     0.02   0.07  -0.08     0.00   0.01   0.03
     2   6    -0.05   0.02  -0.05    -0.06   0.08   0.03    -0.02   0.01  -0.01
     3   6    -0.03   0.03   0.06    -0.11  -0.01  -0.03    -0.02  -0.00  -0.05
     4   6    -0.02  -0.02   0.12    -0.13  -0.05  -0.09    -0.03  -0.01   0.00
     5   6     0.00  -0.05  -0.04    -0.04  -0.06   0.05    -0.01  -0.01   0.02
     6   6     0.02  -0.03   0.01     0.04   0.05  -0.02    -0.00   0.00  -0.03
     7   6     0.05   0.05  -0.08     0.10  -0.03   0.03     0.05  -0.01  -0.02
     8   6     0.07   0.06  -0.12     0.14  -0.04  -0.05     0.04  -0.02   0.02
     9   6     0.04  -0.03  -0.09     0.07  -0.02  -0.02     0.02  -0.02   0.01
    10   6    -0.02  -0.03   0.01    -0.08  -0.01  -0.03    -0.03  -0.02   0.01
    11   6     0.02   0.02   0.08     0.07   0.07   0.06     0.03   0.03   0.01
    12   6     0.06   0.04  -0.08     0.01   0.09  -0.04    -0.01   0.03   0.04
    13   6     0.07   0.06  -0.02    -0.02   0.06   0.04    -0.00   0.04  -0.01
    14   6     0.02   0.03   0.15     0.05  -0.06   0.01     0.02  -0.02   0.01
    15   7     0.01  -0.03  -0.02     0.09   0.08   0.15     0.02  -0.02  -0.03
    16   6     0.03   0.05   0.17    -0.01  -0.05  -0.15     0.01   0.02  -0.01
    17   6    -0.02   0.02   0.12    -0.09  -0.01  -0.10    -0.02   0.03   0.02
    18   7    -0.05  -0.04  -0.05    -0.07   0.08   0.07    -0.05   0.00  -0.01
    19   6    -0.03  -0.06  -0.07     0.02  -0.00   0.02     0.00   0.00  -0.02
    20   6    -0.02   0.01   0.03     0.04  -0.05   0.02     0.02  -0.01   0.02
    21   6    -0.02   0.03   0.07    -0.01  -0.06   0.00    -0.00  -0.02  -0.01
    22   6    -0.07  -0.05  -0.06    -0.01  -0.01   0.08    -0.00  -0.00   0.01
    23   7     0.00   0.01   0.02    -0.01   0.01   0.03    -0.01  -0.01  -0.01
    24   7     0.01   0.03   0.00     0.02   0.02  -0.03     0.01   0.02  -0.02
    25   7    -0.01   0.01   0.02    -0.01  -0.00   0.00    -0.01   0.02   0.01
    26   6     0.01   0.02  -0.00     0.07   0.01   0.01    -0.05  -0.00  -0.07
    27   6    -0.00  -0.01   0.00     0.04   0.02   0.03    -0.06  -0.03  -0.01
    28   6    -0.04  -0.03  -0.01    -0.07  -0.04  -0.01     0.05   0.02   0.03
    29   6    -0.04  -0.02   0.01    -0.05  -0.07  -0.01     0.06   0.04  -0.03
    30   6    -0.02   0.00   0.01     0.01  -0.02   0.05    -0.12   0.02  -0.05
    31   6    -0.01   0.00  -0.01     0.02  -0.01  -0.02    -0.08   0.06   0.01
    32   6     0.01  -0.01  -0.01    -0.00   0.00  -0.02     0.09  -0.06   0.00
    33   6     0.01  -0.01   0.01    -0.02  -0.01   0.04     0.05  -0.11  -0.05
    34   6     0.03  -0.00  -0.01    -0.03   0.00   0.01    -0.08   0.02   0.07
    35   6     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.07  -0.04   0.02
    36   6    -0.00  -0.00  -0.01     0.04   0.01  -0.01     0.08   0.03  -0.04
    37   6    -0.01  -0.00   0.02     0.02   0.04  -0.00     0.07   0.09   0.01
    38   6    -0.03  -0.01  -0.03    -0.07   0.01  -0.05     0.05  -0.02   0.07
    39   6    -0.00   0.02   0.00     0.01   0.01  -0.05     0.03  -0.04   0.05
    40   6     0.02  -0.01   0.02     0.01   0.00   0.03    -0.00   0.01  -0.00
    41   6    -0.01  -0.04   0.03    -0.03  -0.07   0.04     0.05   0.06  -0.04
    42   6    -0.01   0.01  -0.01     0.03  -0.02   0.03    -0.06   0.02  -0.08
    43   6    -0.01   0.00  -0.02    -0.03   0.00   0.00    -0.01   0.02  -0.01
    44   6    -0.02  -0.01   0.00    -0.00  -0.00  -0.03    -0.02  -0.07   0.04
    45   6    -0.01  -0.01   0.00     0.03   0.04  -0.00    -0.06  -0.07   0.04
    46   6     0.01  -0.00  -0.00    -0.01   0.00  -0.03     0.13   0.00   0.07
    47   6    -0.01  -0.00   0.00    -0.03  -0.02   0.01     0.08   0.04   0.08
    48   6    -0.01   0.01  -0.01     0.00   0.02  -0.02    -0.01  -0.01  -0.02
    49   6    -0.01  -0.01  -0.00    -0.01   0.01   0.01     0.02  -0.12  -0.08
    50   6    -0.00  -0.01  -0.00     0.03  -0.00   0.03    -0.12  -0.01  -0.07
    51   6     0.01  -0.00  -0.01     0.02   0.02  -0.01    -0.01  -0.01  -0.02
    52   6     0.00  -0.01   0.00    -0.01  -0.05  -0.00     0.02   0.08   0.07
    53   6    -0.00   0.00  -0.00     0.01  -0.02  -0.03    -0.03   0.12   0.07
    54   6     0.00  -0.00  -0.01     0.04  -0.02  -0.03     0.08  -0.04  -0.08
    55   6     0.02  -0.00  -0.00     0.01  -0.02  -0.03     0.04  -0.06  -0.07
    56   6     0.00   0.01  -0.00     0.00   0.01   0.02    -0.00   0.02   0.01
    57   6     0.00   0.01   0.00     0.02   0.05   0.01     0.06   0.11   0.03
    58   6     0.01  -0.02  -0.01    -0.02   0.01   0.01    -0.07   0.04   0.08
    59   6    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.00   0.01   0.01
    60   6    -0.00  -0.00   0.01    -0.00  -0.02  -0.02    -0.02  -0.08  -0.04
    61   6     0.02   0.02  -0.00    -0.01  -0.03  -0.00    -0.06  -0.10  -0.02
    62   8     0.00   0.05   0.05    -0.02   0.04   0.04    -0.00  -0.01   0.00
    63  15    -0.02  -0.02  -0.03    -0.02  -0.05  -0.00    -0.01   0.01   0.00
    64   8    -0.06  -0.02   0.00    -0.05   0.03  -0.02    -0.00  -0.01  -0.00
    65   8     0.11   0.04  -0.06     0.06   0.01  -0.05     0.00   0.01   0.01
    66   6     0.01   0.01  -0.00     0.01   0.00  -0.01     0.00  -0.00  -0.01
    67   6     0.01   0.01   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    68   6    -0.04   0.02  -0.01    -0.01   0.00   0.00    -0.01   0.01  -0.00
    69   6    -0.01  -0.03   0.01    -0.01  -0.01   0.00    -0.00  -0.00  -0.00
    70   1    -0.08   0.02  -0.21    -0.09   0.21   0.19    -0.02   0.03   0.01
    71   1    -0.00  -0.09  -0.20     0.01  -0.14   0.22    -0.00  -0.03   0.04
    72   1     0.04  -0.05  -0.07     0.14   0.05   0.08     0.00  -0.00  -0.08
    73   1    -0.05  -0.02   0.32     0.13   0.16   0.12     0.07   0.08  -0.02
    74   1     0.09   0.04   0.05    -0.12   0.05   0.09    -0.02   0.06  -0.08
    75   1    -0.04  -0.03   0.35    -0.02  -0.16   0.04     0.00  -0.04  -0.02
    76   1    -0.09  -0.17  -0.34     0.03   0.10   0.24    -0.03  -0.00  -0.03
    77   1    -0.03  -0.02  -0.08     0.06  -0.01   0.13     0.03  -0.00   0.05
    78   1    -0.15  -0.15  -0.28     0.09   0.07   0.25     0.03  -0.01  -0.00
    79   1    -0.03   0.00  -0.06    -0.10   0.06  -0.10     0.06  -0.04   0.11
    80   1     0.01   0.04  -0.01     0.05   0.05  -0.08     0.01  -0.08   0.06
    81   1     0.05  -0.02   0.02     0.05   0.04   0.08    -0.09   0.01  -0.02
    82   1     0.01  -0.06   0.05    -0.02  -0.10   0.10     0.03   0.08  -0.06
    83   1    -0.01  -0.00  -0.00     0.01  -0.05   0.07    -0.06   0.06  -0.10
    84   1     0.01  -0.00  -0.02    -0.07   0.00   0.02     0.06   0.09   0.02
    85   1    -0.01  -0.00   0.02    -0.01  -0.01  -0.07     0.03  -0.09   0.08
    86   1    -0.01   0.00  -0.01     0.03   0.09  -0.03    -0.07  -0.10   0.08
    87   1     0.02  -0.00   0.01     0.00   0.02  -0.04     0.19   0.03   0.12
    88   1    -0.01   0.00   0.01    -0.04  -0.04   0.02     0.05   0.10   0.13
    89   1    -0.00   0.01  -0.02     0.04   0.03  -0.05    -0.13   0.05  -0.04
    90   1    -0.02  -0.02  -0.02    -0.00   0.02  -0.00    -0.03  -0.15  -0.13
    91   1    -0.00  -0.01  -0.02     0.04   0.01   0.02    -0.13  -0.06  -0.12
    92   1     0.01   0.01  -0.02     0.01   0.07  -0.03     0.08  -0.11  -0.04
    93   1     0.00  -0.02   0.01    -0.04  -0.06   0.00     0.09   0.08   0.12
    94   1     0.00   0.02   0.00     0.02  -0.02  -0.05    -0.01   0.18   0.12
    95   1    -0.00   0.01  -0.00     0.05  -0.04  -0.05     0.11  -0.09  -0.13
    96   1     0.02  -0.01   0.00    -0.01  -0.05  -0.05    -0.00  -0.12  -0.08
    97   1    -0.01   0.02  -0.01    -0.04  -0.01   0.05    -0.10  -0.00   0.07
    98   1     0.01  -0.00  -0.01     0.01   0.07   0.03     0.04   0.15   0.07
    99   1     0.01  -0.05  -0.03    -0.01   0.02   0.04    -0.07   0.09   0.10
   100   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.09   0.08  -0.01
   101   1    -0.01   0.00   0.03     0.00  -0.02  -0.03     0.03  -0.10  -0.09
   102   1     0.03   0.04   0.01    -0.01  -0.05  -0.01    -0.07  -0.16  -0.05
   103   1     0.02   0.00   0.05     0.01  -0.00   0.03     0.00   0.00  -0.01
   104   1     0.05   0.01  -0.02     0.04  -0.01  -0.04    -0.00   0.00  -0.01
   105   1    -0.03  -0.01   0.02    -0.02  -0.01   0.01    -0.01  -0.02   0.01
   106   1     0.02   0.03   0.05     0.01   0.01   0.02     0.00   0.01   0.01
   107   1     0.02   0.03   0.02     0.01   0.01   0.01     0.00   0.01   0.01
   108   1    -0.02  -0.03   0.05     0.01  -0.03   0.06    -0.01   0.01  -0.01
   109   1    -0.08   0.05   0.00    -0.05   0.04   0.01     0.00  -0.01  -0.00
   110   1     0.11  -0.00   0.02     0.03  -0.00  -0.00     0.02   0.00   0.01
   111   1    -0.03  -0.12   0.04    -0.01  -0.04   0.02    -0.01  -0.01  -0.00
   112   1    -0.04  -0.09   0.02    -0.02  -0.01   0.01    -0.00  -0.01   0.00
   113  17    -0.00  -0.00  -0.01     0.01  -0.01  -0.00    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    533.8109               534.2211               542.5343
 Red. masses --      5.3256                 5.4422                 8.2949
 Frc consts  --      0.8941                 0.9151                 1.4385
 IR Inten    --      3.4020                 4.0188                67.1578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.03  -0.01     0.03   0.01   0.07
     2   6     0.01  -0.01  -0.01    -0.03   0.03   0.01    -0.02   0.00   0.03
     3   6     0.00  -0.01  -0.02    -0.05  -0.00  -0.03    -0.03  -0.02  -0.13
     4   6    -0.00  -0.00  -0.02    -0.05  -0.02  -0.03    -0.07   0.01  -0.01
     5   6    -0.01   0.00   0.02    -0.02  -0.03   0.02     0.01  -0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.01   0.01  -0.02     0.02   0.01  -0.02
     7   6    -0.01  -0.01   0.03     0.05  -0.00   0.00     0.14  -0.03  -0.09
     8   6    -0.00  -0.01   0.02     0.05  -0.02   0.01     0.09  -0.07   0.03
     9   6    -0.00   0.00   0.00     0.04  -0.02  -0.02    -0.02   0.00   0.14
    10   6     0.00   0.00  -0.01    -0.03  -0.01  -0.01    -0.11  -0.02   0.15
    11   6    -0.00  -0.00  -0.00     0.04   0.04   0.01     0.07   0.07   0.06
    12   6    -0.00  -0.00  -0.00    -0.00   0.04   0.01    -0.02   0.08   0.12
    13   6    -0.00  -0.00   0.02    -0.00   0.04  -0.02    -0.00   0.08  -0.00
    14   6     0.01   0.00  -0.02     0.02  -0.02   0.02     0.07  -0.07  -0.02
    15   7    -0.00  -0.00  -0.00     0.04   0.02   0.05     0.00  -0.05  -0.25
    16   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.05     0.08   0.08   0.01
    17   6     0.00  -0.01  -0.01    -0.04  -0.00  -0.06    -0.03   0.08   0.06
    18   7     0.01   0.01   0.01    -0.03   0.04   0.04    -0.16  -0.08   0.00
    19   6     0.00   0.00   0.01     0.01   0.01   0.03     0.04   0.00   0.01
    20   6    -0.01  -0.01  -0.01     0.01  -0.04  -0.02     0.06  -0.07   0.01
    21   6     0.00   0.00   0.00    -0.00  -0.02   0.02    -0.00  -0.06   0.00
    22   6     0.00  -0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.02  -0.02
    23   7    -0.02  -0.03  -0.03    -0.01   0.00   0.01     0.03   0.03   0.03
    24   7     0.00  -0.02   0.02     0.01   0.04  -0.03     0.03  -0.01   0.01
    25   7     0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.01  -0.03  -0.02
    26   6     0.08  -0.01   0.07    -0.07   0.01  -0.10     0.04  -0.04  -0.03
    27   6     0.07   0.04   0.02    -0.08  -0.05  -0.01    -0.01   0.02   0.01
    28   6    -0.07  -0.03  -0.03     0.07   0.02   0.04    -0.04   0.00  -0.00
    29   6    -0.07  -0.08   0.02     0.07   0.07  -0.04     0.01  -0.07  -0.02
    30   6    -0.12   0.02  -0.06    -0.02   0.00   0.01     0.02   0.03   0.01
    31   6    -0.08   0.07   0.02    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    32   6     0.09  -0.06   0.01     0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    33   6     0.05  -0.11  -0.06     0.01  -0.03   0.00     0.02   0.03   0.01
    34   6     0.06  -0.02  -0.05     0.09  -0.03  -0.09     0.02  -0.03  -0.01
    35   6     0.05   0.03  -0.02     0.09   0.05  -0.03     0.01   0.02  -0.00
    36   6    -0.05  -0.02   0.03    -0.08  -0.03   0.05    -0.01   0.01   0.00
    37   6    -0.05  -0.06  -0.01    -0.08  -0.10  -0.01     0.01  -0.02   0.00
    38   6    -0.08   0.03  -0.09     0.08  -0.03   0.10    -0.05   0.03  -0.02
    39   6    -0.04   0.05  -0.08     0.05  -0.06   0.09     0.00  -0.02  -0.06
    40   6    -0.00  -0.01   0.01     0.00   0.02  -0.01    -0.02   0.01   0.04
    41   6    -0.06  -0.09   0.05     0.07   0.09  -0.05    -0.01  -0.06   0.01
    42   6     0.07  -0.03   0.09    -0.09   0.03  -0.12     0.02  -0.01  -0.01
    43   6     0.00  -0.01   0.02    -0.01   0.02  -0.02    -0.02   0.03   0.02
    44   6     0.03   0.08  -0.06    -0.03  -0.10   0.07     0.03  -0.02  -0.04
    45   6     0.07   0.10  -0.05    -0.08  -0.11   0.06    -0.01   0.03   0.01
    46   6     0.14   0.01   0.08     0.03   0.00   0.00    -0.04  -0.01  -0.02
    47   6     0.09   0.04   0.09     0.00  -0.00   0.02    -0.04   0.00  -0.04
    48   6    -0.01  -0.02  -0.02    -0.00   0.00  -0.01    -0.01   0.01   0.02
    49   6     0.03  -0.13  -0.09    -0.00  -0.02  -0.01    -0.01   0.04   0.02
    50   6    -0.13  -0.00  -0.08    -0.01  -0.00  -0.00     0.03  -0.00   0.01
    51   6    -0.01  -0.01  -0.02     0.01   0.00  -0.01     0.01  -0.02   0.01
    52   6     0.02   0.10   0.09     0.00  -0.00   0.01     0.01  -0.03  -0.04
    53   6    -0.03   0.13   0.09    -0.00   0.01   0.00    -0.01  -0.03  -0.02
    54   6    -0.06   0.03   0.06    -0.09   0.06   0.10    -0.01   0.02   0.01
    55   6    -0.03   0.05   0.05    -0.05   0.08   0.08    -0.01   0.01   0.03
    56   6    -0.00  -0.01  -0.01     0.00  -0.02  -0.01    -0.01   0.00  -0.00
    57   6    -0.04  -0.08  -0.02    -0.07  -0.12  -0.04    -0.01  -0.02   0.00
    58   6     0.06  -0.03  -0.06     0.10  -0.06  -0.11     0.03  -0.02  -0.02
    59   6     0.00  -0.01  -0.01     0.01  -0.02  -0.02     0.01  -0.00  -0.02
    60   6     0.02   0.07   0.03     0.03   0.12   0.05     0.02   0.03   0.02
    61   6     0.04   0.08   0.02     0.08   0.14   0.03     0.01   0.04   0.01
    62   8     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.10  -0.14   0.01
    63  15     0.00  -0.00   0.00    -0.01  -0.02   0.01    -0.02   0.19  -0.10
    64   8     0.00   0.00   0.00    -0.01   0.01  -0.01    -0.04  -0.12   0.04
    65   8    -0.00  -0.00   0.00     0.02   0.01  -0.02    -0.11  -0.03   0.19
    66   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.01   0.00  -0.04
    67   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.01
    68   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.05  -0.05   0.01
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.02
    70   1     0.01  -0.01   0.02    -0.04   0.08   0.07    -0.03   0.05   0.10
    71   1    -0.01   0.01   0.07     0.00  -0.06   0.07     0.03  -0.05   0.03
    72   1    -0.01   0.00  -0.04     0.05   0.01   0.00     0.02   0.00  -0.06
    73   1     0.01   0.01  -0.03     0.08   0.08  -0.00     0.14   0.17   0.04
    74   1    -0.01  -0.01   0.03    -0.03   0.05  -0.05    -0.09   0.11  -0.12
    75   1     0.02   0.01  -0.07    -0.01  -0.06   0.02     0.02  -0.15  -0.06
    76   1     0.01   0.01   0.03     0.00   0.05   0.12    -0.08  -0.03  -0.06
    77   1    -0.01  -0.01  -0.02     0.00  -0.05  -0.01     0.05  -0.08  -0.04
    78   1     0.00   0.00   0.00     0.05   0.01   0.07     0.07  -0.07  -0.13
    79   1    -0.10   0.07  -0.13     0.09  -0.06   0.15    -0.07   0.06  -0.01
    80   1     0.00   0.10  -0.11     0.01  -0.11   0.11     0.04  -0.01  -0.10
    81   1     0.10   0.01   0.07    -0.11  -0.00  -0.05    -0.02   0.08   0.11
    82   1    -0.05  -0.12   0.09     0.06   0.12  -0.08    -0.03  -0.03   0.05
    83   1     0.07  -0.07   0.12    -0.08   0.08  -0.14    -0.00   0.01   0.02
    84   1    -0.09  -0.08   0.00     0.10   0.11   0.01    -0.07   0.08   0.07
    85   1    -0.02   0.09  -0.11     0.02  -0.12   0.13     0.05  -0.04  -0.07
    86   1     0.08   0.14  -0.08    -0.09  -0.15   0.10    -0.03   0.06   0.03
    87   1     0.19   0.04   0.12     0.04   0.01   0.01    -0.04  -0.02  -0.01
    88   1     0.07   0.11   0.14    -0.01   0.01   0.03    -0.04  -0.01  -0.06
    89   1    -0.14   0.05  -0.04    -0.01   0.02  -0.03     0.02  -0.03   0.04
    90   1    -0.01  -0.15  -0.13    -0.01  -0.02  -0.03    -0.02   0.03   0.02
    91   1    -0.15  -0.05  -0.12    -0.01  -0.01  -0.02     0.02  -0.02   0.01
    92   1     0.08  -0.12  -0.04     0.02   0.01  -0.02    -0.03   0.00   0.04
    93   1     0.09   0.10   0.13     0.00  -0.01   0.02     0.01  -0.03  -0.06
    94   1    -0.01   0.19   0.13     0.00   0.03   0.00    -0.01  -0.03  -0.00
    95   1    -0.08   0.06   0.09    -0.12   0.10   0.15    -0.01   0.02   0.00
    96   1    -0.00   0.09   0.06    -0.01   0.15   0.09    -0.01   0.01   0.04
    97   1     0.07   0.00  -0.05     0.12   0.00  -0.07    -0.00   0.01  -0.03
    98   1    -0.03  -0.10  -0.05    -0.05  -0.16  -0.07    -0.02  -0.01   0.00
    99   1     0.05  -0.07  -0.08     0.09  -0.12  -0.13     0.02  -0.01  -0.03
   100   1    -0.07  -0.06   0.01    -0.11  -0.11   0.02    -0.04  -0.02  -0.02
   101   1    -0.02   0.08   0.07    -0.03   0.14   0.12     0.01   0.04   0.04
   102   1     0.05   0.12   0.04     0.09   0.20   0.07     0.01   0.04   0.00
   103   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.02  -0.00  -0.00
   104   1    -0.00  -0.00   0.00     0.01  -0.00  -0.02     0.02   0.04   0.01
   105   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.06   0.04
   106   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.02   0.04   0.05
   107   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.07   0.06
   108   1     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.04   0.06  -0.20
   109   1     0.00  -0.00   0.00    -0.02   0.02   0.00     0.20  -0.19  -0.03
   110   1    -0.00  -0.00  -0.00     0.02   0.00   0.00    -0.14  -0.02   0.01
   111   1     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.04   0.13  -0.07
   112   1     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.05   0.05  -0.03
   113  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.02   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --    556.9894               573.5997               574.7630
 Red. masses --      6.5987                 4.5485                 4.4654
 Frc consts  --      1.2062                 0.8817                 0.8691
 IR Inten    --     50.5759                 4.1069                 3.1835
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.15    -0.01   0.01   0.01     0.02   0.01   0.03
     2   6     0.02  -0.02  -0.00    -0.01   0.01  -0.00     0.03   0.00  -0.02
     3   6     0.01  -0.01   0.15    -0.00   0.01  -0.02    -0.00  -0.03  -0.04
     4   6     0.01  -0.01  -0.06     0.00   0.00  -0.00    -0.02  -0.01  -0.00
     5   6     0.03  -0.02  -0.00    -0.00   0.00   0.01    -0.01  -0.00   0.03
     6   6     0.03  -0.02   0.05    -0.01  -0.00  -0.01     0.00   0.02  -0.04
     7   6    -0.04  -0.00   0.07    -0.00   0.02   0.01    -0.01  -0.03   0.04
     8   6     0.01   0.03  -0.14    -0.01  -0.00   0.02     0.02  -0.01  -0.00
     9   6    -0.06   0.10  -0.04    -0.01  -0.03  -0.05     0.01  -0.00  -0.01
    10   6    -0.00   0.02  -0.07    -0.01  -0.03   0.00    -0.01   0.01   0.01
    11   6    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.02   0.01   0.02
    12   6     0.05   0.01  -0.15     0.01   0.01   0.02    -0.00   0.03  -0.04
    13   6    -0.00  -0.03   0.05     0.02   0.01  -0.00    -0.01   0.02   0.05
    14   6     0.00   0.00   0.00     0.01   0.00   0.01     0.03  -0.01  -0.03
    15   7    -0.01   0.15   0.08     0.01   0.02   0.01     0.01   0.01   0.01
    16   6     0.01  -0.08  -0.01     0.02   0.01   0.03     0.01   0.00  -0.00
    17   6     0.01  -0.09   0.01     0.01  -0.03  -0.05    -0.03  -0.00  -0.01
    18   7     0.06  -0.05   0.05     0.01  -0.04   0.06    -0.02   0.01   0.00
    19   6     0.01  -0.09   0.03    -0.00  -0.01   0.04     0.01  -0.00   0.00
    20   6    -0.06   0.04   0.00    -0.05  -0.01  -0.05     0.01  -0.02  -0.00
    21   6    -0.06   0.04  -0.02     0.00   0.04   0.06    -0.01  -0.00   0.02
    22   6    -0.06   0.02   0.02    -0.00   0.02  -0.06    -0.02  -0.01   0.01
    23   7    -0.01  -0.04  -0.07    -0.01  -0.00   0.02    -0.04  -0.07   0.15
    24   7     0.00   0.03  -0.06     0.01  -0.00   0.01     0.07  -0.06  -0.13
    25   7    -0.02   0.01   0.02     0.10  -0.05   0.20    -0.02   0.01  -0.01
    26   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00    -0.03   0.10   0.07
    27   6     0.01  -0.03   0.02    -0.01  -0.00  -0.01     0.03  -0.02   0.01
    28   6     0.00  -0.03   0.01    -0.00   0.00  -0.00    -0.01  -0.03   0.00
    29   6    -0.05   0.05  -0.00     0.01  -0.00   0.01    -0.08   0.07   0.05
    30   6    -0.02  -0.07   0.01     0.01   0.02  -0.01     0.04   0.09  -0.09
    31   6     0.02   0.03   0.01    -0.00  -0.00  -0.00    -0.03  -0.01   0.00
    32   6     0.00   0.04   0.01     0.00  -0.01  -0.00    -0.00  -0.03  -0.00
    33   6    -0.06  -0.03   0.02     0.01   0.00  -0.01     0.08   0.07  -0.08
    34   6     0.02  -0.00   0.01    -0.05   0.11  -0.13     0.01  -0.01   0.01
    35   6     0.01   0.00  -0.01     0.04  -0.03  -0.01     0.00   0.00  -0.01
    36   6     0.00  -0.00  -0.01    -0.00  -0.05   0.01     0.00  -0.00  -0.00
    37   6    -0.00   0.01   0.02    -0.12   0.09  -0.10     0.00  -0.00   0.02
    38   6     0.02  -0.04   0.01    -0.00   0.00  -0.01     0.03  -0.05  -0.03
    39   6     0.02   0.02   0.07    -0.01   0.00  -0.01    -0.03   0.07   0.08
    40   6     0.04  -0.01  -0.02    -0.00  -0.00   0.00     0.06  -0.05  -0.06
    41   6     0.01   0.04   0.00    -0.01  -0.01   0.01    -0.03   0.04   0.04
    42   6    -0.03   0.02  -0.01    -0.00   0.00  -0.00    -0.04   0.05   0.04
    43   6    -0.00  -0.03  -0.04     0.00   0.00  -0.00     0.04  -0.07  -0.08
    44   6    -0.06  -0.01   0.05     0.00   0.00   0.00    -0.08   0.05   0.08
    45   6     0.01  -0.05   0.01    -0.00  -0.00  -0.00     0.04  -0.05  -0.03
    46   6     0.02   0.03   0.00     0.00  -0.01   0.01    -0.03  -0.05   0.05
    47   6     0.03  -0.03   0.06     0.00   0.01  -0.01     0.02   0.08  -0.10
    48   6     0.04   0.00  -0.03    -0.01  -0.01   0.01    -0.05  -0.05   0.09
    49   6     0.00  -0.03   0.01     0.00   0.00  -0.01     0.03   0.05  -0.05
    50   6    -0.05  -0.01  -0.00     0.01   0.01  -0.00     0.03   0.04  -0.06
    51   6    -0.01   0.03  -0.04    -0.00  -0.01   0.01    -0.03  -0.07   0.09
    52   6    -0.04   0.03   0.07     0.01   0.00  -0.02     0.06   0.05  -0.10
    53   6     0.02   0.05   0.01    -0.01  -0.01   0.00    -0.04  -0.05   0.05
    54   6     0.01  -0.01  -0.02     0.05  -0.07   0.07    -0.00  -0.00  -0.01
    55   6     0.02  -0.02  -0.01    -0.05   0.07  -0.15     0.01  -0.01   0.00
    56   6     0.00   0.02  -0.00     0.09  -0.05   0.11    -0.00   0.01  -0.01
    57   6     0.01   0.02   0.01    -0.04   0.06  -0.07     0.01   0.00   0.01
    58   6     0.01  -0.01  -0.00    -0.06   0.05  -0.07     0.01  -0.01   0.00
    59   6    -0.01  -0.00  -0.01     0.05  -0.07   0.13    -0.01   0.00  -0.01
    60   6     0.00  -0.01   0.01    -0.11   0.05  -0.13     0.01  -0.01   0.01
    61   6     0.00   0.01  -0.01     0.06  -0.06   0.06    -0.00   0.01  -0.01
    62   8     0.12  -0.06   0.03     0.02  -0.01   0.01     0.00  -0.00   0.00
    63  15    -0.01   0.15  -0.13    -0.00   0.02  -0.02    -0.00   0.01  -0.00
    64   8    -0.09  -0.07   0.04    -0.02  -0.01   0.00    -0.01  -0.00   0.00
    65   8    -0.07  -0.08   0.08    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    66   6     0.01   0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    68   6     0.08  -0.12   0.03     0.01  -0.01   0.00     0.00  -0.00   0.00
    69   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    70   1     0.02  -0.01   0.01    -0.00   0.00   0.02     0.03   0.03   0.03
    71   1     0.04  -0.02   0.06    -0.01   0.01   0.01     0.00  -0.02   0.08
    72   1     0.05   0.00   0.21    -0.01  -0.00  -0.02     0.02   0.02  -0.05
    73   1    -0.08  -0.05   0.16     0.02   0.01  -0.05     0.01   0.05  -0.02
    74   1    -0.03  -0.08   0.27     0.02   0.02  -0.04    -0.04   0.02   0.06
    75   1    -0.03  -0.04   0.15     0.03   0.02  -0.03     0.02  -0.02  -0.07
    76   1     0.08  -0.07   0.10     0.01  -0.01   0.04    -0.00  -0.00   0.01
    77   1    -0.01   0.12   0.02    -0.05  -0.02  -0.12     0.01  -0.02  -0.02
    78   1    -0.16   0.05   0.10    -0.02   0.03  -0.04    -0.00  -0.01   0.01
    79   1     0.03  -0.04  -0.04    -0.00   0.00  -0.00     0.07  -0.10  -0.12
    80   1    -0.00   0.03   0.09    -0.00   0.00  -0.01    -0.05   0.09   0.11
    81   1     0.04  -0.07  -0.09     0.01  -0.00   0.01     0.14  -0.17  -0.17
    82   1     0.04  -0.01   0.01    -0.01  -0.01  -0.00     0.04  -0.05   0.00
    83   1    -0.02  -0.04  -0.01    -0.00   0.01  -0.01     0.01  -0.05   0.00
    84   1     0.07  -0.05  -0.08     0.01   0.00  -0.00     0.14  -0.19  -0.19
    85   1    -0.06   0.00   0.08     0.00   0.00   0.01    -0.11   0.09   0.11
    86   1     0.03  -0.05  -0.04    -0.01  -0.01   0.00     0.09  -0.09  -0.12
    87   1     0.01   0.04  -0.05    -0.00  -0.01   0.02    -0.06  -0.10   0.15
    88   1     0.02  -0.04   0.07     0.00   0.02  -0.01     0.04   0.11  -0.15
    89   1     0.04   0.06  -0.09    -0.02  -0.02   0.03    -0.12  -0.18   0.24
    90   1     0.05   0.02   0.01    -0.01  -0.01  -0.00    -0.04  -0.04   0.02
    91   1    -0.02   0.04  -0.00     0.00  -0.01   0.00    -0.03  -0.05   0.01
    92   1     0.06   0.04  -0.11    -0.02  -0.02   0.04    -0.13  -0.19   0.24
    93   1    -0.03   0.01   0.10     0.01   0.01  -0.03     0.09   0.09  -0.14
    94   1     0.03   0.05  -0.04    -0.01  -0.01   0.02    -0.08  -0.09   0.16
    95   1    -0.00   0.00  -0.02     0.11  -0.11   0.21    -0.01   0.01  -0.02
    96   1     0.02  -0.03  -0.01    -0.09   0.11  -0.21     0.01  -0.01   0.00
    97   1    -0.03   0.02  -0.01     0.21  -0.19   0.32    -0.02   0.02  -0.02
    98   1     0.01   0.01  -0.00     0.06  -0.06   0.02     0.00   0.01  -0.01
    99   1     0.00  -0.02  -0.01     0.02  -0.08   0.03    -0.00  -0.01  -0.01
   100   1    -0.02   0.00  -0.02     0.21  -0.20   0.33    -0.02   0.02  -0.03
   101   1    -0.00  -0.01   0.02    -0.15   0.08  -0.18     0.01  -0.01   0.02
   102   1     0.00   0.03  -0.01     0.14  -0.09   0.19    -0.01   0.02  -0.01
   103   1     0.02  -0.02   0.10     0.00  -0.00   0.01     0.00  -0.00   0.00
   104   1     0.07   0.03   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
   105   1    -0.01   0.00   0.02    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   106   1     0.02   0.03   0.04     0.00   0.01   0.01     0.00   0.00   0.00
   107   1     0.04   0.04   0.02     0.00   0.01   0.01     0.00   0.00   0.00
   108   1     0.03  -0.04  -0.10     0.00  -0.01  -0.01     0.00  -0.00  -0.00
   109   1     0.16  -0.16   0.00     0.02  -0.02   0.00     0.00  -0.01   0.00
   110   1    -0.23  -0.06  -0.03    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00
   111   1     0.06   0.17  -0.05     0.01   0.02  -0.01     0.00   0.00  -0.00
   112   1     0.04   0.12  -0.03     0.01   0.01  -0.00     0.00   0.00  -0.00
   113  17     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    579.6784               582.9189               583.2777
 Red. masses --      4.9299                 3.8804                 3.8917
 Frc consts  --      0.9760                 0.7769                 0.7801
 IR Inten    --      6.5830                 0.6152                 0.4553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.01  -0.04    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
     3   6    -0.01   0.00   0.05     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01   0.03     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01  -0.02   0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.03   0.02   0.04    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.03   0.03   0.02    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.02  -0.10     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.09     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.03  -0.01  -0.03    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01   0.03   0.03    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   7     0.02   0.09   0.09    -0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.04  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.04  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   7     0.04   0.01   0.03     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.05   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   6    -0.03   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6    -0.03   0.02   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.03   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    23   7    -0.05  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00   0.00
    24   7    -0.09   0.10   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.01
    25   7    -0.03   0.02  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    26   6     0.04  -0.09  -0.07     0.00   0.00  -0.00    -0.02   0.02   0.02
    27   6    -0.02   0.02  -0.01     0.00  -0.00  -0.00     0.07  -0.10  -0.09
    28   6     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.07   0.10   0.09
    29   6     0.08  -0.07  -0.06     0.00  -0.00  -0.00     0.03  -0.03  -0.03
    30   6     0.03   0.07  -0.07     0.02   0.03  -0.03    -0.00  -0.00   0.00
    31   6    -0.02  -0.00   0.00    -0.06  -0.09   0.11     0.00   0.00  -0.00
    32   6    -0.00  -0.02   0.00     0.06   0.08  -0.11    -0.00  -0.00   0.00
    33   6     0.06   0.05  -0.07    -0.02  -0.03   0.03     0.00  -0.00  -0.00
    34   6     0.02  -0.01   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    37   6     0.00  -0.00   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   6    -0.03   0.05   0.04    -0.00   0.00   0.00    -0.06   0.08   0.08
    39   6     0.04  -0.07  -0.08     0.00  -0.00  -0.00     0.09  -0.12  -0.12
    40   6    -0.06   0.06   0.06    -0.00   0.00   0.00    -0.10   0.13   0.12
    41   6     0.04  -0.04  -0.04     0.00  -0.00  -0.00     0.07  -0.09  -0.08
    42   6     0.04  -0.05  -0.05    -0.00   0.00   0.00    -0.06   0.08   0.08
    43   6    -0.05   0.08   0.08     0.00  -0.00  -0.00     0.09  -0.12  -0.11
    44   6     0.08  -0.07  -0.08    -0.00   0.00   0.00    -0.09   0.11   0.11
    45   6    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.06  -0.08  -0.07
    46   6    -0.02  -0.04   0.05     0.05   0.07  -0.09    -0.00  -0.00   0.00
    47   6     0.03   0.06  -0.08    -0.08  -0.11   0.14     0.00   0.00  -0.00
    48   6    -0.04  -0.05   0.07     0.08   0.11  -0.14    -0.00  -0.00   0.00
    49   6     0.03   0.04  -0.05    -0.05  -0.08   0.10     0.00   0.00  -0.00
    50   6     0.02   0.04  -0.05     0.05   0.07  -0.09    -0.00  -0.00   0.00
    51   6    -0.03  -0.06   0.07    -0.08  -0.11   0.13     0.00   0.00  -0.00
    52   6     0.05   0.05  -0.08     0.08   0.10  -0.14    -0.00  -0.00   0.00
    53   6    -0.03  -0.03   0.05    -0.05  -0.07   0.09     0.00   0.00  -0.00
    54   6    -0.00  -0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6     0.02  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6    -0.00   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    57   6     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    58   6     0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    59   6    -0.02   0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    60   6     0.01  -0.02   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    61   6    -0.00   0.01  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    62   8     0.03  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    63  15    -0.00   0.03  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    64   8    -0.03  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    65   8    -0.01  -0.02  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    66   6     0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    67   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    68   6     0.02  -0.04   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    70   1    -0.00   0.01  -0.06     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    71   1     0.01  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.00
    72   1     0.04  -0.01  -0.04     0.00  -0.00  -0.02    -0.00  -0.00  -0.01
    73   1    -0.01  -0.05  -0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    74   1     0.07  -0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    75   1     0.01   0.06   0.05    -0.00   0.00  -0.00    -0.00  -0.00   0.01
    76   1     0.03  -0.03   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   1    -0.01   0.04   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    78   1    -0.06   0.02   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
    79   1    -0.08   0.11   0.13    -0.00   0.00   0.00    -0.04   0.05   0.05
    80   1     0.06  -0.10  -0.11     0.01  -0.01  -0.01     0.21  -0.27  -0.26
    81   1    -0.15   0.19   0.18    -0.01   0.01   0.01    -0.19   0.26   0.24
    82   1    -0.03   0.05   0.01     0.00  -0.00  -0.00     0.09  -0.12  -0.11
    83   1    -0.02   0.05   0.00    -0.00   0.00   0.00    -0.09   0.12   0.11
    84   1    -0.16   0.21   0.20     0.00  -0.00  -0.00     0.18  -0.24  -0.22
    85   1     0.11  -0.11  -0.11    -0.01   0.00   0.01    -0.20   0.26   0.25
    86   1    -0.10   0.10   0.13     0.00   0.00  -0.00     0.03  -0.04  -0.04
    87   1    -0.05  -0.09   0.13     0.03   0.04  -0.05    -0.00  -0.00   0.00
    88   1     0.05   0.09  -0.12    -0.17  -0.24   0.31     0.00   0.00  -0.01
    89   1    -0.11  -0.15   0.20     0.16   0.23  -0.28    -0.00  -0.00   0.01
    90   1    -0.03  -0.03   0.01    -0.07  -0.11   0.13     0.00   0.00  -0.00
    91   1    -0.03  -0.04   0.01     0.08   0.10  -0.14    -0.00  -0.00   0.00
    92   1    -0.10  -0.16   0.20    -0.16  -0.22   0.27     0.00   0.01  -0.01
    93   1     0.07   0.08  -0.11     0.17   0.23  -0.30    -0.00  -0.01   0.01
    94   1    -0.07  -0.08   0.13    -0.03  -0.04   0.05     0.00   0.00  -0.00
    95   1    -0.02   0.02  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1     0.02  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    97   1    -0.04   0.03  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    98   1     0.00   0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    99   1     0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   100   1    -0.04   0.03  -0.05    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   101   1     0.02  -0.03   0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
   102   1    -0.01   0.03  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   103   1     0.01  -0.00   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
   104   1     0.03   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   105   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   106   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   107   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.02  -0.03  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   109   1     0.03  -0.03   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1    -0.07  -0.02  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1     0.02   0.04  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   112   1     0.01   0.04  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   113  17     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --    583.5195               587.6381               592.6809
 Red. masses --      3.9040                 5.5422                 5.7540
 Frc consts  --      0.7832                 1.1276                 1.1909
 IR Inten    --      0.4034                31.3575                24.6991
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.02  -0.03   0.07     0.03  -0.02  -0.10
     2   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01     0.04  -0.01   0.05
     3   6    -0.00   0.00   0.00     0.02  -0.01  -0.04    -0.01  -0.05  -0.02
     4   6    -0.00  -0.00  -0.00     0.00   0.03   0.05    -0.03  -0.02  -0.10
     5   6    -0.00  -0.00   0.00     0.03   0.02  -0.00     0.00  -0.02  -0.03
     6   6    -0.00   0.00  -0.00     0.01  -0.03  -0.02     0.04   0.02   0.04
     7   6     0.00   0.00   0.00    -0.01  -0.01  -0.01    -0.02  -0.04   0.04
     8   6     0.00   0.00  -0.01    -0.03  -0.03   0.12     0.03   0.03  -0.06
     9   6    -0.00   0.00   0.01     0.01  -0.02  -0.15     0.01   0.06   0.11
    10   6     0.00  -0.00   0.00    -0.03   0.02  -0.05     0.03   0.11   0.12
    11   6     0.00  -0.00   0.00    -0.02   0.03  -0.06    -0.01  -0.05   0.03
    12   6     0.00   0.00  -0.01    -0.04  -0.00   0.14     0.01  -0.01  -0.14
    13   6    -0.00  -0.00   0.00     0.03   0.06  -0.06    -0.03  -0.04   0.05
    14   6     0.00  -0.00  -0.00     0.01  -0.01   0.04    -0.01   0.02  -0.03
    15   7    -0.00  -0.00   0.00     0.03   0.08   0.06    -0.05  -0.12  -0.13
    16   6    -0.00  -0.00  -0.00     0.02   0.01   0.03    -0.01   0.02   0.04
    17   6     0.01   0.00   0.01    -0.09  -0.06  -0.11    -0.07  -0.01  -0.04
    18   7     0.00  -0.01  -0.00    -0.01   0.09   0.06    -0.02   0.10  -0.02
    19   6    -0.00  -0.00  -0.00     0.04   0.01   0.06     0.05   0.09   0.05
    20   6    -0.00   0.01   0.01     0.03  -0.08  -0.08     0.07  -0.07  -0.12
    21   6     0.00  -0.00  -0.02     0.00   0.05   0.18     0.06   0.04   0.15
    22   6     0.01   0.01   0.00    -0.07  -0.09  -0.01    -0.04  -0.12  -0.03
    23   7    -0.01  -0.01   0.01     0.06   0.04  -0.04    -0.01  -0.06  -0.01
    24   7    -0.00   0.01   0.00     0.04  -0.09   0.02    -0.07   0.09  -0.00
    25   7     0.01  -0.01  -0.00    -0.08   0.14   0.01    -0.02   0.11   0.05
    26   6     0.01   0.00  -0.00    -0.06  -0.03   0.03     0.06   0.01  -0.02
    27   6     0.00   0.00   0.00    -0.03   0.01  -0.04     0.04  -0.01   0.04
    28   6    -0.00  -0.00   0.00     0.03   0.04  -0.02    -0.02  -0.03   0.02
    29   6    -0.00  -0.00  -0.00     0.03   0.01   0.06    -0.03  -0.01  -0.07
    30   6     0.00   0.00  -0.00    -0.02  -0.01   0.03     0.02  -0.04  -0.03
    31   6     0.00  -0.00  -0.00    -0.02   0.00  -0.01     0.02   0.00   0.02
    32   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01    -0.01   0.03   0.02
    33   6     0.00   0.00  -0.01     0.01  -0.02   0.04    -0.03   0.02  -0.01
    34   6    -0.03   0.02  -0.03     0.09   0.05   0.02     0.07   0.07   0.00
    35   6     0.07  -0.07   0.12     0.07  -0.03  -0.05     0.06  -0.03  -0.06
    36   6    -0.07   0.08  -0.11    -0.04  -0.06  -0.04    -0.05  -0.07  -0.02
    37   6     0.03  -0.02   0.02    -0.06   0.00   0.11    -0.08   0.00   0.06
    38   6    -0.00  -0.00   0.00     0.02   0.01  -0.03    -0.02  -0.01   0.04
    39   6     0.00  -0.00   0.00    -0.06   0.03  -0.02     0.07  -0.04   0.02
    40   6     0.00   0.00   0.00    -0.01  -0.05  -0.01     0.01   0.06   0.01
    41   6     0.00   0.00  -0.00    -0.02  -0.00   0.02     0.03   0.01  -0.04
    42   6     0.00  -0.00  -0.00     0.00   0.01   0.03     0.01  -0.02  -0.01
    43   6    -0.01   0.00   0.00     0.04  -0.02   0.00    -0.04   0.02   0.01
    44   6    -0.00  -0.01  -0.00     0.02   0.06   0.00    -0.01  -0.05  -0.02
    45   6    -0.00   0.00   0.00    -0.01  -0.00  -0.04     0.01   0.01   0.03
    46   6    -0.00  -0.00   0.00     0.00   0.00  -0.03    -0.01   0.01   0.01
    47   6     0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02  -0.00  -0.00
    48   6    -0.00  -0.00   0.00     0.01   0.04  -0.02     0.01  -0.02   0.00
    49   6     0.00   0.00  -0.01    -0.01   0.00   0.03     0.01   0.01  -0.00
    50   6     0.00   0.00  -0.00    -0.02  -0.02   0.01    -0.02   0.00  -0.03
    51   6    -0.00  -0.00   0.00     0.02   0.01  -0.03    -0.03  -0.01  -0.00
    52   6     0.00   0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.05   0.01
    53   6    -0.00  -0.00   0.00    -0.00   0.02  -0.02     0.01   0.01   0.03
    54   6    -0.06   0.06  -0.09    -0.03  -0.03  -0.06    -0.02  -0.04  -0.01
    55   6     0.08  -0.09   0.14     0.11  -0.06  -0.02     0.07  -0.02  -0.05
    56   6    -0.10   0.09  -0.14     0.01   0.08  -0.04     0.04   0.05  -0.01
    57   6     0.06  -0.06   0.09     0.05   0.02   0.05     0.01   0.01   0.01
    58   6    -0.07   0.06  -0.10     0.00  -0.01   0.01    -0.01   0.01   0.02
    59   6     0.10  -0.09   0.14    -0.06   0.01   0.01    -0.05   0.01   0.04
    60   6    -0.09   0.09  -0.14    -0.04  -0.07   0.02    -0.06  -0.07  -0.01
    61   6     0.06  -0.06   0.10     0.02  -0.01  -0.04     0.02  -0.02  -0.03
    62   8    -0.00   0.00  -0.00     0.03  -0.00   0.01    -0.03  -0.00  -0.02
    63  15     0.00  -0.00   0.00    -0.00   0.02  -0.02     0.01  -0.02   0.03
    64   8     0.00   0.00   0.00    -0.03  -0.01   0.00     0.05   0.01   0.00
    65   8     0.00   0.00  -0.00    -0.01  -0.02  -0.00    -0.00   0.02   0.01
    66   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.01
    67   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.02  -0.03   0.01    -0.02   0.04  -0.01
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    70   1    -0.00   0.01   0.00     0.00  -0.06  -0.06     0.04   0.03   0.20
    71   1    -0.00  -0.00   0.01     0.03   0.01  -0.09     0.03  -0.05   0.14
    72   1     0.01   0.00   0.01    -0.05  -0.04  -0.13     0.08   0.04   0.23
    73   1    -0.00  -0.00   0.02     0.05   0.07  -0.27    -0.04  -0.06   0.16
    74   1    -0.00  -0.01   0.02     0.06   0.12  -0.33    -0.03  -0.09   0.27
    75   1    -0.00  -0.00   0.01     0.05   0.03  -0.12    -0.05  -0.01   0.06
    76   1     0.00   0.00   0.01     0.00   0.00   0.05     0.03   0.07  -0.01
    77   1     0.00   0.02   0.04    -0.02  -0.17  -0.29    -0.00  -0.20  -0.32
    78   1    -0.00   0.01   0.00    -0.05  -0.10  -0.04    -0.02  -0.16  -0.13
    79   1    -0.00   0.00   0.00     0.05  -0.04   0.00    -0.05   0.05   0.02
    80   1     0.00  -0.00   0.00    -0.06   0.03  -0.02     0.07  -0.06   0.02
    81   1    -0.00   0.00   0.00     0.05  -0.07  -0.03    -0.07   0.09   0.03
    82   1     0.00   0.00   0.01    -0.03   0.01  -0.06     0.03   0.00   0.04
    83   1    -0.00  -0.00   0.00     0.03   0.04  -0.04    -0.02  -0.04   0.05
    84   1    -0.01   0.01   0.01     0.04  -0.07  -0.04    -0.06   0.07   0.05
    85   1     0.00  -0.01  -0.00     0.02   0.07   0.01    -0.01  -0.06  -0.03
    86   1    -0.00   0.01   0.00    -0.00  -0.07  -0.01     0.00   0.09   0.02
    87   1    -0.00  -0.01   0.01     0.03   0.03  -0.05    -0.05  -0.01  -0.01
    88   1     0.01   0.01  -0.01    -0.05  -0.04   0.02     0.03  -0.01  -0.01
    89   1    -0.01  -0.01   0.01     0.06   0.06  -0.06    -0.00  -0.03   0.02
    90   1    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.03   0.02   0.04
    91   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.03    -0.02   0.03   0.02
    92   1    -0.01  -0.01   0.01     0.05   0.05  -0.07    -0.02  -0.05   0.01
    93   1     0.00   0.00  -0.01    -0.01  -0.04   0.04     0.00   0.06   0.01
    94   1    -0.00  -0.01   0.01     0.02   0.05  -0.03    -0.00  -0.03   0.01
    95   1    -0.03   0.03  -0.05    -0.09   0.06  -0.02    -0.06   0.04   0.05
    96   1     0.20  -0.19   0.31     0.13  -0.09   0.01     0.07  -0.01  -0.05
    97   1    -0.19   0.18  -0.28    -0.10   0.12  -0.09    -0.01   0.04   0.00
    98   1     0.09  -0.08   0.14     0.06  -0.04  -0.07     0.04  -0.06  -0.08
    99   1    -0.09   0.09  -0.13    -0.04  -0.08  -0.07    -0.04  -0.09  -0.04
   100   1     0.20  -0.19   0.29    -0.06   0.05  -0.03    -0.01   0.04   0.02
   101   1    -0.21   0.20  -0.31    -0.05  -0.07   0.02    -0.06  -0.07  -0.01
   102   1     0.03  -0.04   0.05     0.01   0.11  -0.03     0.04   0.07   0.01
   103   1    -0.00  -0.00  -0.00     0.01   0.00   0.03    -0.01   0.00  -0.04
   104   1    -0.00   0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.02
   105   1     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.01  -0.01
   106   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.01  -0.01  -0.02
   107   1     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01  -0.01  -0.01
   108   1    -0.00   0.00   0.00     0.02  -0.02  -0.00    -0.02   0.03  -0.00
   109   1    -0.00   0.00  -0.00     0.03  -0.03   0.01    -0.02   0.02  -0.01
   110   1     0.00   0.00   0.00    -0.06  -0.02  -0.01     0.06   0.02   0.01
   111   1    -0.00  -0.00   0.00     0.02   0.04  -0.01    -0.02  -0.04   0.01
   112   1    -0.00  -0.00   0.00     0.01   0.03  -0.01    -0.01  -0.03   0.00
   113  17     0.00   0.00   0.00     0.00  -0.01  -0.01    -0.01   0.01   0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --    604.9762               616.7697               625.7115
 Red. masses --      6.4261                 7.3228                 7.1469
 Frc consts  --      1.3857                 1.6412                 1.6486
 IR Inten    --      0.5180                20.3383                 4.5453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.20     0.07   0.04  -0.03     0.10  -0.16   0.07
     2   6    -0.06  -0.02  -0.06     0.07  -0.00  -0.01    -0.03  -0.14  -0.01
     3   6    -0.02  -0.00  -0.13    -0.04  -0.15   0.06     0.02  -0.00  -0.01
     4   6     0.02   0.00  -0.00    -0.08  -0.04   0.03    -0.02   0.12   0.02
     5   6    -0.01   0.01   0.10    -0.11  -0.05   0.01     0.18   0.11  -0.01
     6   6    -0.05  -0.06  -0.12     0.02   0.10  -0.00     0.08  -0.06  -0.02
     7   6    -0.01  -0.02   0.12     0.01  -0.16  -0.02    -0.03   0.01   0.02
     8   6     0.01   0.00   0.07     0.13   0.00   0.01    -0.05   0.02   0.03
     9   6     0.04   0.05  -0.01     0.14   0.14   0.04    -0.04   0.04  -0.07
    10   6     0.08   0.05  -0.03     0.08   0.20  -0.03    -0.15   0.06  -0.07
    11   6     0.04  -0.05   0.04    -0.05  -0.05  -0.07    -0.02  -0.02   0.00
    12   6     0.00  -0.02  -0.11    -0.15  -0.03   0.01     0.01  -0.02  -0.02
    13   6    -0.06  -0.07   0.06    -0.06   0.10  -0.07     0.01  -0.02   0.02
    14   6    -0.03   0.02  -0.09    -0.02  -0.01   0.05    -0.01   0.04  -0.01
    15   7    -0.01   0.00  -0.01     0.03  -0.06  -0.07     0.01   0.04   0.03
    16   6    -0.01  -0.04   0.03     0.04  -0.11   0.04     0.03  -0.01  -0.01
    17   6     0.04  -0.04   0.01    -0.03  -0.02   0.12    -0.15   0.03   0.07
    18   7     0.09   0.02  -0.04     0.06   0.15  -0.16    -0.14   0.09  -0.02
    19   6    -0.03  -0.06   0.03     0.05  -0.14   0.02     0.14   0.02  -0.08
    20   6    -0.08   0.03   0.00    -0.04   0.04   0.03     0.18  -0.01  -0.01
    21   6    -0.04   0.03  -0.00    -0.15  -0.01  -0.08    -0.03  -0.05  -0.05
    22   6    -0.02   0.02  -0.01    -0.13   0.01   0.04    -0.10  -0.08   0.08
    23   7     0.11   0.16   0.02     0.02  -0.00   0.00     0.10  -0.06  -0.02
    24   7    -0.05   0.09  -0.06    -0.07  -0.10   0.01    -0.02   0.03  -0.00
    25   7    -0.02   0.01   0.01    -0.02  -0.08   0.09     0.04  -0.07   0.07
    26   6     0.08   0.05  -0.01    -0.07  -0.08   0.04     0.04   0.01   0.01
    27   6     0.06  -0.02   0.07    -0.03   0.03  -0.06     0.02  -0.04   0.05
    28   6    -0.04  -0.07   0.03     0.05   0.06  -0.02    -0.01  -0.05   0.04
    29   6    -0.08  -0.01  -0.08     0.04   0.04   0.00    -0.04  -0.02  -0.02
    30   6    -0.08   0.11   0.08    -0.01   0.00  -0.00    -0.00  -0.05  -0.04
    31   6    -0.11  -0.01  -0.07    -0.01  -0.00  -0.01    -0.00   0.02   0.02
    32   6     0.02  -0.12  -0.07    -0.01  -0.01  -0.01    -0.01   0.02   0.01
    33   6     0.12  -0.06   0.06     0.02  -0.00   0.01     0.04   0.03   0.04
    34   6     0.01   0.00  -0.00    -0.02  -0.04  -0.03    -0.07  -0.03   0.01
    35   6     0.01  -0.01  -0.01     0.00   0.02   0.00    -0.03   0.09   0.06
    36   6    -0.00  -0.01  -0.01     0.01   0.02  -0.00    -0.00   0.10   0.05
    37   6    -0.01   0.00   0.02    -0.01   0.03   0.01     0.05   0.04  -0.03
    38   6    -0.02  -0.03   0.03     0.02  -0.00   0.02     0.03   0.01   0.02
    39   6     0.08  -0.02   0.05    -0.02  -0.02   0.01     0.04   0.01   0.01
    40   6     0.03   0.06  -0.01    -0.01  -0.02   0.00     0.00   0.05  -0.04
    41   6     0.01   0.02  -0.03     0.04   0.05  -0.02    -0.03  -0.01  -0.02
    42   6     0.01  -0.01  -0.01     0.02  -0.03   0.07     0.04   0.02   0.01
    43   6    -0.05   0.01  -0.03     0.05  -0.04   0.07    -0.02   0.04  -0.04
    44   6    -0.04  -0.06  -0.00     0.07   0.09  -0.03    -0.03  -0.02  -0.02
    45   6     0.02   0.00   0.03     0.00   0.04  -0.05    -0.03  -0.02  -0.00
    46   6     0.02  -0.03  -0.05    -0.01  -0.00  -0.01    -0.02  -0.03  -0.04
    47   6    -0.13   0.00  -0.01    -0.02   0.00  -0.01    -0.06  -0.02  -0.04
    48   6    -0.02   0.09   0.02     0.01   0.02   0.01    -0.00   0.03   0.01
    49   6    -0.00  -0.00   0.03     0.01   0.01   0.02    -0.02   0.08   0.06
    50   6     0.01  -0.01   0.05    -0.02   0.00  -0.00    -0.06  -0.03  -0.05
    51   6     0.11   0.02   0.01     0.01   0.01   0.00    -0.05  -0.02  -0.05
    52   6     0.04  -0.14  -0.02     0.01  -0.00   0.01    -0.01   0.06   0.04
    53   6    -0.04   0.00  -0.06     0.01   0.00   0.00    -0.00   0.05   0.04
    54   6     0.00  -0.01  -0.01     0.02  -0.03  -0.00    -0.06  -0.03   0.05
    55   6     0.02  -0.01  -0.01     0.00  -0.01  -0.04    -0.06  -0.01  -0.01
    56   6     0.00   0.02   0.00     0.02   0.00   0.02     0.02  -0.11  -0.04
    57   6     0.00   0.01   0.01     0.01   0.05  -0.00     0.06   0.04  -0.05
    58   6     0.01  -0.00  -0.00     0.02  -0.02  -0.06    -0.07  -0.04  -0.01
    59   6    -0.01   0.00   0.00     0.03  -0.04  -0.01     0.04  -0.11  -0.06
    60   6    -0.00  -0.01   0.01     0.01   0.06  -0.01     0.04   0.05  -0.04
    61   6     0.00   0.00  -0.00     0.02   0.03   0.03     0.08   0.04   0.00
    62   8     0.01  -0.00  -0.00     0.00  -0.01  -0.01    -0.02   0.01   0.00
    63  15     0.00   0.01  -0.01     0.00   0.00   0.00     0.00  -0.02   0.01
    64   8     0.00  -0.01   0.01     0.01  -0.00   0.00     0.02   0.01  -0.00
    65   8    -0.01  -0.00   0.01    -0.00   0.01   0.01     0.00  -0.01  -0.02
    66   6    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.01
    67   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    68   6     0.00  -0.01   0.00    -0.01   0.02  -0.00     0.01  -0.01   0.00
    69   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   1    -0.05  -0.06  -0.13     0.01   0.12  -0.04    -0.03  -0.15  -0.10
    71   1    -0.02   0.05   0.12    -0.07  -0.16  -0.01     0.19   0.06  -0.07
    72   1    -0.11  -0.09  -0.37     0.11   0.09   0.01    -0.14  -0.05  -0.12
    73   1     0.06  -0.04  -0.02     0.04   0.08  -0.05    -0.04  -0.07  -0.03
    74   1    -0.04  -0.09   0.16    -0.03   0.11  -0.11     0.06  -0.03   0.03
    75   1    -0.00   0.04  -0.18    -0.14  -0.17   0.07     0.04   0.11  -0.07
    76   1     0.02  -0.06   0.02     0.12  -0.13   0.05     0.13   0.04  -0.02
    77   1    -0.06   0.05  -0.02     0.08   0.24   0.09     0.25   0.10   0.07
    78   1    -0.09   0.02  -0.00    -0.25   0.03   0.09    -0.07  -0.06   0.12
    79   1    -0.06   0.04  -0.04     0.05  -0.05   0.08     0.00   0.05  -0.02
    80   1     0.07  -0.03   0.06    -0.03  -0.03   0.02     0.01  -0.04   0.03
    81   1    -0.03   0.07  -0.02    -0.05  -0.03  -0.02    -0.00   0.06  -0.03
    82   1     0.04  -0.03   0.07     0.02   0.09  -0.08    -0.01  -0.04   0.03
    83   1    -0.02  -0.08   0.08     0.05   0.04  -0.01     0.03  -0.02   0.05
    84   1    -0.04   0.05  -0.00    -0.02  -0.10   0.05    -0.03   0.04  -0.04
    85   1    -0.04  -0.06  -0.01     0.03   0.10  -0.06     0.01  -0.03   0.02
    86   1     0.03   0.10  -0.03    -0.01  -0.04   0.01    -0.03   0.03  -0.03
    87   1     0.14   0.05   0.02    -0.00   0.01  -0.00    -0.02  -0.03  -0.04
    88   1    -0.13  -0.01  -0.01    -0.02  -0.02  -0.02    -0.05  -0.03  -0.05
    89   1     0.06   0.10  -0.02     0.03   0.02   0.01     0.09  -0.01   0.02
    90   1    -0.10  -0.05  -0.10    -0.01   0.00   0.00    -0.02   0.08   0.04
    91   1    -0.00  -0.10  -0.10    -0.02  -0.01  -0.01    -0.05   0.00  -0.04
    92   1     0.09   0.12  -0.03     0.02  -0.00  -0.00     0.02  -0.09  -0.06
    93   1     0.01  -0.14  -0.02    -0.00  -0.00   0.00     0.04   0.06   0.07
    94   1     0.01   0.14   0.02     0.01   0.01   0.01    -0.01   0.03   0.02
    95   1    -0.01   0.01  -0.00     0.03  -0.04   0.01    -0.01  -0.11   0.02
    96   1     0.02  -0.02  -0.01    -0.01  -0.02  -0.05    -0.00   0.09   0.01
    97   1    -0.02   0.02   0.00    -0.01  -0.03   0.08     0.01  -0.14   0.01
    98   1     0.01  -0.00  -0.01     0.03   0.04   0.02     0.05   0.09   0.03
    99   1     0.00  -0.02  -0.01     0.04  -0.02  -0.02    -0.05   0.03   0.05
   100   1    -0.01   0.01  -0.00     0.00  -0.10   0.04     0.07  -0.13  -0.02
   101   1    -0.00  -0.01   0.01    -0.01   0.07   0.01    -0.05   0.09   0.04
   102   1     0.00   0.02  -0.00     0.03  -0.01   0.04     0.09  -0.06  -0.01
   103   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
   104   1    -0.00   0.00   0.01    -0.01   0.00   0.01    -0.01  -0.00   0.01
   105   1     0.01   0.01  -0.00     0.01   0.00  -0.00     0.02   0.02  -0.01
   106   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01
   107   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
   108   1    -0.00   0.00  -0.01    -0.01   0.02  -0.01     0.02  -0.02   0.03
   109   1     0.01  -0.01  -0.00     0.00   0.00  -0.01    -0.01   0.01   0.01
   110   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.01  -0.01
   111   1     0.00   0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.01   0.00
   112   1     0.00   0.01  -0.00     0.00  -0.01   0.00    -0.00   0.01   0.00
   113  17    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.00  -0.01   0.00
                     97                     98                     99
                      A                      A                      A
 Frequencies --    629.5950               630.3170               630.8520
 Red. masses --      6.9308                 6.9147                 6.8372
 Frc consts  --      1.6187                 1.6186                 1.6032
 IR Inten    --      2.0268                 2.5052                 3.5610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.04    -0.00  -0.01   0.06     0.04  -0.08   0.02
     2   6     0.01   0.03   0.01    -0.03  -0.01  -0.01    -0.03  -0.07  -0.01
     3   6    -0.01  -0.02  -0.03    -0.01   0.03  -0.04     0.01   0.01   0.02
     4   6    -0.01  -0.01   0.03     0.01   0.01  -0.01    -0.01   0.06   0.01
     5   6    -0.03  -0.01   0.00     0.04   0.01   0.02     0.09   0.06  -0.00
     6   6    -0.00   0.03  -0.00     0.01  -0.03  -0.02     0.04  -0.03  -0.01
     7   6     0.00  -0.02  -0.02     0.01   0.02   0.04    -0.00   0.02   0.00
     8   6     0.01  -0.00   0.04    -0.00   0.01   0.02    -0.02   0.01  -0.00
     9   6     0.04   0.00  -0.01     0.01  -0.00  -0.00    -0.03   0.02  -0.01
    10   6     0.03   0.01   0.00     0.00   0.00   0.01    -0.08   0.01  -0.05
    11   6    -0.01  -0.02  -0.01     0.03  -0.02   0.02     0.00  -0.00   0.01
    12   6    -0.03  -0.02   0.04     0.01  -0.01  -0.05     0.01  -0.00  -0.02
    13   6    -0.00   0.01  -0.01    -0.03  -0.03   0.01    -0.00  -0.01   0.01
    14   6     0.00   0.00   0.01    -0.03   0.02  -0.03    -0.01   0.02  -0.01
    15   7     0.02   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.02   0.01
    16   6     0.02  -0.01   0.00     0.01   0.00  -0.00     0.01  -0.01  -0.02
    17   6     0.02   0.00   0.00    -0.01   0.00  -0.00    -0.05   0.04   0.07
    18   7     0.02   0.00  -0.02    -0.00   0.01  -0.00    -0.07   0.03  -0.02
    19   6    -0.01  -0.05   0.01     0.00  -0.01   0.01     0.06   0.00  -0.05
    20   6    -0.04  -0.00   0.02    -0.00  -0.01   0.00     0.09  -0.00   0.01
    21   6    -0.04  -0.01  -0.01    -0.01  -0.00   0.01    -0.02  -0.06  -0.09
    22   6    -0.01   0.03  -0.00    -0.01   0.01   0.00    -0.03  -0.03   0.04
    23   7    -0.01   0.01   0.00     0.02   0.02   0.02     0.05  -0.03  -0.00
    24   7    -0.01  -0.01   0.00    -0.01   0.02  -0.03    -0.00   0.01  -0.00
    25   7    -0.02  -0.01  -0.00    -0.01  -0.00   0.00     0.03  -0.05   0.01
    26   6     0.06  -0.01   0.05    -0.05   0.02  -0.05    -0.01   0.01  -0.01
    27   6     0.00  -0.10   0.11     0.02   0.11  -0.10     0.00   0.03  -0.02
    28   6     0.02  -0.10   0.12    -0.04   0.09  -0.12    -0.01   0.02  -0.03
    29   6    -0.06  -0.05   0.00     0.04   0.06  -0.03     0.01   0.01  -0.01
    30   6     0.08  -0.02   0.03     0.07   0.00   0.03    -0.02  -0.02  -0.02
    31   6     0.07   0.09   0.11     0.05   0.10   0.11    -0.02  -0.01  -0.02
    32   6     0.08   0.09   0.11     0.09   0.07   0.10    -0.02  -0.01  -0.02
    33   6    -0.05   0.06   0.02    -0.01   0.06   0.04     0.03  -0.00   0.01
    34   6     0.02  -0.02  -0.02    -0.01  -0.00   0.00     0.06  -0.03  -0.07
    35   6     0.00  -0.05  -0.03     0.00   0.01   0.01    -0.01  -0.16  -0.10
    36   6     0.02  -0.05  -0.04    -0.00   0.01   0.01     0.04  -0.14  -0.12
    37   6    -0.02  -0.02   0.01     0.00   0.01   0.00    -0.05  -0.08  -0.02
    38   6     0.14   0.06   0.06    -0.16  -0.08  -0.05    -0.04  -0.02  -0.01
    39   6     0.06   0.04  -0.01    -0.04  -0.05   0.03    -0.01  -0.01   0.01
    40   6    -0.01   0.12  -0.13     0.03  -0.11   0.13     0.01  -0.03   0.03
    41   6    -0.12  -0.05  -0.06     0.14   0.07   0.05     0.03   0.01   0.01
    42   6     0.14   0.06   0.05    -0.14  -0.07  -0.04    -0.03  -0.02  -0.01
    43   6    -0.01   0.11  -0.12    -0.00  -0.13   0.13    -0.00  -0.03   0.03
    44   6    -0.05   0.01  -0.05     0.04  -0.01   0.05     0.01  -0.01   0.01
    45   6    -0.14  -0.06  -0.04     0.17   0.08   0.05     0.04   0.02   0.01
    46   6     0.14  -0.09   0.01     0.15  -0.11  -0.00    -0.04   0.01  -0.02
    47   6     0.04  -0.06  -0.02     0.01  -0.06  -0.04    -0.04   0.01  -0.02
    48   6    -0.08  -0.11  -0.13    -0.09  -0.09  -0.12     0.02   0.04   0.04
    49   6    -0.13   0.08  -0.01    -0.13   0.10   0.00     0.02   0.02   0.03
    50   6     0.13  -0.09  -0.00     0.13  -0.10  -0.01    -0.06   0.01  -0.02
    51   6    -0.08  -0.10  -0.12    -0.07  -0.11  -0.12    -0.00   0.01   0.01
    52   6    -0.07   0.01  -0.03    -0.06   0.00  -0.04     0.01   0.03   0.03
    53   6    -0.13   0.10   0.01    -0.15   0.11   0.01     0.03  -0.00   0.02
    54   6     0.06   0.02  -0.03    -0.01  -0.01   0.00     0.20   0.08  -0.07
    55   6     0.03   0.01  -0.00     0.00  -0.01  -0.01     0.04   0.08   0.01
    56   6    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.03   0.16   0.14
    57   6    -0.05  -0.01   0.03     0.02   0.01  -0.00    -0.18  -0.07   0.06
    58   6     0.06   0.02  -0.03    -0.01  -0.01  -0.00     0.17   0.08  -0.08
    59   6    -0.00   0.06   0.03     0.00  -0.02  -0.01    -0.00   0.18   0.13
    60   6    -0.01   0.02   0.02     0.01   0.00  -0.00    -0.06   0.04   0.05
    61   6    -0.06  -0.02   0.03     0.01   0.01  -0.00    -0.19  -0.09   0.09
    62   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    63  15    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.01
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    65   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    66   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    67   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   1    -0.00   0.04  -0.03    -0.03  -0.02  -0.02    -0.03  -0.07  -0.06
    71   1    -0.03  -0.03  -0.06     0.03   0.03   0.02     0.10   0.04  -0.02
    72   1     0.03   0.01  -0.08    -0.03  -0.04  -0.09    -0.07  -0.02  -0.04
    73   1     0.02   0.00  -0.06     0.03  -0.02   0.02    -0.02  -0.03   0.02
    74   1     0.03   0.03  -0.09    -0.02  -0.05   0.07     0.01  -0.02   0.04
    75   1     0.01   0.00  -0.05    -0.02   0.03  -0.04     0.00   0.04  -0.00
    76   1    -0.01  -0.04   0.02    -0.01  -0.01   0.00     0.06   0.04   0.02
    77   1    -0.02   0.03   0.03     0.00   0.00  -0.01     0.14   0.09   0.16
    78   1    -0.01   0.04   0.01    -0.00   0.01  -0.00     0.01  -0.01   0.09
    79   1     0.11   0.11  -0.01    -0.14  -0.12  -0.01    -0.04  -0.03  -0.00
    80   1    -0.06  -0.11   0.06     0.09   0.11  -0.04     0.02   0.03  -0.01
    81   1     0.04   0.13  -0.10    -0.05  -0.13   0.09    -0.01  -0.03   0.02
    82   1    -0.09  -0.10   0.03     0.12   0.11  -0.01     0.03   0.02  -0.00
    83   1     0.12  -0.02   0.11    -0.12  -0.01  -0.09    -0.03  -0.00  -0.02
    84   1    -0.08   0.07  -0.13     0.07  -0.08   0.14     0.02  -0.01   0.03
    85   1     0.08  -0.03   0.09    -0.10   0.03  -0.11    -0.03   0.00  -0.02
    86   1    -0.12   0.01  -0.10     0.16   0.02   0.09     0.04   0.01   0.02
    87   1     0.06  -0.13  -0.06     0.10  -0.14  -0.05    -0.02   0.02   0.00
    88   1    -0.01   0.11   0.09    -0.04   0.12   0.07    -0.02  -0.04  -0.05
    89   1    -0.03  -0.14  -0.12    -0.01  -0.13  -0.11     0.05   0.03   0.04
    90   1    -0.05   0.12   0.07    -0.07   0.13   0.06    -0.00   0.01   0.00
    91   1     0.15  -0.01   0.07     0.14  -0.04   0.04    -0.06   0.00  -0.03
    92   1    -0.13  -0.04  -0.11    -0.13  -0.05  -0.11     0.04  -0.03  -0.00
    93   1     0.11   0.01   0.07     0.13  -0.00   0.07    -0.01   0.03   0.01
    94   1    -0.15   0.02  -0.06    -0.16   0.06  -0.04     0.03   0.01   0.02
    95   1     0.05   0.05  -0.01    -0.01  -0.01  -0.00     0.17   0.14  -0.01
    96   1    -0.02  -0.06  -0.02     0.01   0.01  -0.00    -0.11  -0.14  -0.04
    97   1     0.00   0.07   0.04    -0.01  -0.01  -0.00     0.08   0.17   0.10
    98   1    -0.03  -0.03   0.00     0.01   0.02   0.00    -0.14  -0.15   0.01
    99   1     0.06  -0.01  -0.05    -0.01  -0.00   0.00     0.16  -0.02  -0.12
   100   1    -0.04   0.03   0.04     0.00  -0.02  -0.01    -0.08   0.10   0.17
   101   1     0.04  -0.01  -0.03    -0.01   0.01   0.01     0.12  -0.05  -0.13
   102   1    -0.06   0.01   0.04     0.01   0.00  -0.01    -0.18  -0.01   0.14
   103   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   104   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
   105   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
   106   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
   107   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
   108   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
   109   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
   110   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
   111   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   112   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   113  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    100                    101                    102
                      A                      A                      A
 Frequencies --    641.6582               655.2010               666.7239
 Red. masses --      7.5888                 6.0890                 5.2952
 Frc consts  --      1.8409                 1.5401                 1.3868
 IR Inten    --     11.8007                20.1135                17.3193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.01     0.06   0.04   0.14     0.03  -0.06  -0.07
     2   6    -0.04   0.03   0.06     0.16   0.01   0.01     0.02  -0.06   0.01
     3   6     0.01   0.11  -0.12     0.03  -0.14  -0.12     0.01  -0.06  -0.03
     4   6     0.05   0.02   0.00    -0.03  -0.03   0.11    -0.02   0.03  -0.08
     5   6     0.09   0.02  -0.05    -0.13  -0.00   0.00    -0.01   0.06  -0.02
     6   6     0.01  -0.05   0.04    -0.02   0.14  -0.01    -0.02   0.04   0.01
     7   6     0.02   0.11   0.03    -0.09  -0.12  -0.07    -0.08  -0.06   0.10
     8   6    -0.01   0.10   0.07    -0.04  -0.05   0.10     0.00  -0.02  -0.06
     9   6     0.14  -0.10  -0.03    -0.01  -0.01  -0.09    -0.01  -0.02  -0.05
    10   6     0.00  -0.06   0.14    -0.01  -0.00  -0.00    -0.01   0.04   0.15
    11   6     0.09  -0.10   0.03    -0.16   0.00  -0.03    -0.10   0.04  -0.02
    12   6    -0.04  -0.11  -0.03    -0.00   0.02   0.04     0.04   0.05  -0.13
    13   6    -0.07  -0.09  -0.01     0.10   0.08   0.07     0.04   0.06   0.03
    14   6    -0.17   0.15  -0.05     0.17  -0.02   0.03     0.07  -0.02   0.02
    15   7     0.18   0.02  -0.02     0.01   0.05   0.01     0.02   0.02  -0.03
    16   6     0.14   0.06  -0.03     0.03   0.01   0.03     0.06   0.04   0.06
    17   6    -0.02   0.07  -0.10     0.01  -0.02  -0.05    -0.00  -0.05  -0.16
    18   7    -0.07  -0.03   0.01     0.00  -0.03   0.02    -0.02  -0.06   0.05
    19   6    -0.01  -0.14   0.06     0.01  -0.04   0.01     0.01  -0.03   0.04
    20   6    -0.07  -0.09   0.06    -0.01   0.00   0.01    -0.04  -0.00  -0.01
    21   6    -0.15  -0.03   0.09    -0.01   0.02   0.03     0.01   0.08   0.17
    22   6    -0.05   0.14  -0.03     0.00   0.04  -0.01     0.01   0.08  -0.04
    23   7    -0.05  -0.04  -0.04    -0.01  -0.03  -0.09     0.07   0.01   0.01
    24   7    -0.05  -0.02  -0.04    -0.03   0.11  -0.02    -0.01  -0.00   0.06
    25   7    -0.13  -0.05   0.01    -0.01  -0.02  -0.01    -0.02  -0.06  -0.05
    26   6     0.00  -0.02   0.02     0.06   0.09  -0.03    -0.04  -0.03   0.01
    27   6     0.02   0.01   0.01     0.08   0.01   0.03    -0.04  -0.01  -0.03
    28   6    -0.01  -0.01   0.01    -0.06  -0.05  -0.02     0.05   0.03  -0.01
    29   6    -0.03   0.02  -0.04    -0.07   0.01  -0.07     0.05  -0.00   0.05
    30   6     0.02  -0.05  -0.03     0.04  -0.08  -0.05    -0.02   0.02   0.00
    31   6     0.05  -0.04  -0.01     0.07  -0.03   0.02    -0.05   0.01  -0.00
    32   6    -0.05   0.03  -0.00    -0.05   0.06   0.03     0.03  -0.05  -0.01
    33   6    -0.07  -0.01  -0.04    -0.07   0.02  -0.03     0.09   0.00   0.04
    34   6    -0.03  -0.09  -0.03    -0.02  -0.03  -0.01    -0.07  -0.09  -0.01
    35   6    -0.01   0.00   0.02    -0.02  -0.00   0.01    -0.07  -0.01   0.05
    36   6     0.02   0.01  -0.01     0.02   0.01  -0.00     0.07   0.06  -0.01
    37   6    -0.02   0.04   0.04     0.02  -0.00  -0.01     0.07  -0.01  -0.05
    38   6    -0.01  -0.03   0.02    -0.10  -0.05  -0.00     0.05   0.04   0.01
    39   6     0.03  -0.01   0.05     0.06  -0.03   0.04    -0.03   0.00  -0.04
    40   6     0.02   0.03  -0.02     0.03   0.03   0.03    -0.03  -0.02   0.01
    41   6     0.02   0.05  -0.02     0.04   0.02  -0.01    -0.01  -0.03   0.01
    42   6     0.02  -0.02   0.04    -0.05  -0.00  -0.06     0.01  -0.01   0.00
    43   6     0.01  -0.02   0.02    -0.06  -0.00  -0.01     0.02   0.01   0.02
    44   6     0.01   0.03  -0.01    -0.04  -0.09   0.02     0.03   0.02  -0.01
    45   6     0.02   0.02  -0.02     0.09   0.03   0.07    -0.05  -0.01  -0.02
    46   6    -0.06   0.07   0.02    -0.06   0.06   0.01     0.04  -0.06  -0.04
    47   6     0.06   0.01   0.03     0.05  -0.01   0.03    -0.08  -0.01  -0.04
    48   6     0.04  -0.02   0.01     0.03  -0.02  -0.01    -0.01   0.05   0.02
    49   6     0.04  -0.05  -0.03     0.01  -0.02   0.00    -0.01   0.06   0.05
    50   6    -0.04   0.03  -0.01    -0.04  -0.00  -0.01    -0.02  -0.01  -0.01
    51   6    -0.02   0.03   0.02    -0.04   0.02  -0.02     0.01  -0.01  -0.02
    52   6    -0.00   0.04   0.02    -0.02   0.06   0.04     0.01  -0.01   0.01
    53   6     0.08  -0.05   0.01     0.08  -0.03   0.01    -0.03   0.04   0.00
    54   6     0.02  -0.03  -0.05     0.02   0.01  -0.01     0.07   0.04  -0.02
    55   6     0.05  -0.04  -0.04    -0.01   0.00   0.01    -0.04   0.01   0.04
    56   6     0.00   0.05   0.02    -0.01  -0.00   0.00    -0.03  -0.03   0.00
    57   6     0.04   0.09   0.04    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    58   6     0.07  -0.05  -0.08     0.01  -0.01  -0.01     0.04  -0.02  -0.04
    59   6     0.03  -0.03  -0.05     0.01  -0.00  -0.01     0.04  -0.01  -0.04
    60   6     0.05   0.09   0.03     0.02   0.02   0.01     0.05   0.07   0.01
    61   6    -0.02   0.05   0.04    -0.02   0.00   0.02    -0.09  -0.01   0.05
    62   8    -0.00  -0.01   0.02    -0.01   0.01   0.00    -0.02   0.00   0.01
    63  15    -0.01  -0.01   0.01    -0.00  -0.00   0.01    -0.00  -0.02   0.02
    64   8    -0.03   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    65   8     0.01   0.02   0.02     0.01  -0.01  -0.02     0.01  -0.00  -0.02
    66   6     0.01  -0.00  -0.03    -0.00   0.00   0.01     0.00   0.00   0.01
    67   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    68   6    -0.01   0.03  -0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
    69   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    70   1     0.01  -0.04   0.16     0.12   0.04  -0.12     0.04  -0.03   0.19
    71   1     0.06   0.08  -0.04    -0.12  -0.10  -0.22     0.00   0.08   0.17
    72   1    -0.01  -0.05   0.08    -0.00   0.10  -0.31    -0.08   0.07   0.21
    73   1     0.09  -0.12  -0.05    -0.14   0.00  -0.10    -0.12   0.03   0.03
    74   1     0.12  -0.10  -0.01     0.10   0.12  -0.07    -0.05   0.01   0.25
    75   1    -0.11   0.22  -0.10     0.22   0.04  -0.18     0.04  -0.06   0.12
    76   1    -0.16  -0.16   0.01    -0.01  -0.07  -0.06    -0.05  -0.13  -0.19
    77   1    -0.01  -0.02  -0.08    -0.01   0.00  -0.07    -0.09  -0.12  -0.36
    78   1     0.09   0.13  -0.05     0.00   0.04  -0.01     0.01   0.04  -0.12
    79   1    -0.02  -0.01  -0.02    -0.14   0.02  -0.07     0.07   0.00   0.07
    80   1     0.03  -0.02   0.05     0.10   0.03   0.01    -0.05  -0.02  -0.03
    81   1    -0.04   0.01  -0.05    -0.04   0.03   0.01     0.01  -0.00   0.04
    82   1     0.04   0.03   0.01     0.07  -0.02   0.05    -0.03   0.01  -0.05
    83   1     0.02  -0.02   0.05    -0.06  -0.07  -0.00     0.02   0.04  -0.03
    84   1    -0.03  -0.05   0.01     0.01   0.07   0.01    -0.01   0.00   0.03
    85   1    -0.01   0.04  -0.03    -0.08  -0.07  -0.03     0.05   0.01   0.01
    86   1     0.02   0.03  -0.03     0.10   0.13   0.01    -0.07  -0.06   0.03
    87   1    -0.10   0.04  -0.02    -0.12   0.03  -0.06     0.10  -0.02   0.01
    88   1     0.07  -0.04   0.00     0.06  -0.05   0.00    -0.09   0.01  -0.02
    89   1    -0.04   0.01   0.01    -0.00   0.01  -0.03     0.08   0.01   0.03
    90   1     0.07  -0.04   0.02     0.07   0.02   0.05    -0.06   0.03   0.01
    91   1    -0.03   0.06   0.03    -0.02   0.07   0.04    -0.03  -0.04  -0.03
    92   1     0.01  -0.01   0.02     0.01  -0.02  -0.04     0.02  -0.02  -0.02
    93   1    -0.07   0.04  -0.01    -0.06   0.06   0.02     0.04  -0.01   0.03
    94   1     0.06  -0.09  -0.03     0.06  -0.10  -0.07    -0.02   0.08   0.03
    95   1     0.02  -0.02  -0.05     0.03  -0.01  -0.03     0.11  -0.03  -0.10
    96   1     0.02  -0.08  -0.05    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    97   1    -0.10   0.04   0.05    -0.01   0.00  -0.00    -0.00  -0.01  -0.03
    98   1     0.04   0.09   0.03    -0.01   0.02   0.02    -0.05   0.05   0.05
    99   1     0.08  -0.01  -0.04     0.02   0.02   0.00     0.05   0.07   0.01
   100   1    -0.08  -0.10  -0.03    -0.01  -0.02  -0.01    -0.03  -0.06  -0.02
   101   1     0.03   0.09   0.05     0.02   0.02  -0.00     0.08   0.05  -0.01
   102   1    -0.03   0.01   0.01    -0.03  -0.03  -0.00    -0.11  -0.12  -0.01
   103   1     0.01   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.01
   104   1     0.02  -0.00  -0.04    -0.00  -0.01   0.00    -0.01  -0.01   0.00
   105   1    -0.04  -0.05   0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
   106   1     0.01   0.02   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
   107   1     0.00   0.02   0.02    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
   108   1    -0.02   0.03  -0.02     0.02  -0.02   0.02     0.01  -0.02   0.02
   109   1    -0.00   0.00  -0.01    -0.01   0.01   0.01    -0.02   0.02   0.00
   110   1     0.05   0.02   0.01    -0.02  -0.01  -0.01    -0.00  -0.00  -0.00
   111   1    -0.01  -0.02   0.00     0.01   0.01   0.00     0.00  -0.00   0.01
   112   1     0.00  -0.02   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
   113  17    -0.00  -0.00  -0.02     0.00  -0.01  -0.01     0.00   0.00  -0.01
                    103                    104                    105
                      A                      A                      A
 Frequencies --    674.7719               681.2044               686.4095
 Red. masses --      5.3127                 6.3447                 5.5759
 Frc consts  --      1.4252                 1.7347                 1.5479
 IR Inten    --     28.9751                11.9470                19.7721
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.02    -0.06   0.07   0.12    -0.06   0.01  -0.17
     2   6     0.08  -0.03  -0.02     0.19   0.03  -0.04     0.03   0.01   0.03
     3   6     0.06  -0.03   0.02     0.14  -0.01  -0.08     0.04   0.02   0.07
     4   6     0.03   0.00  -0.03     0.10  -0.07  -0.02     0.06  -0.03  -0.00
     5   6    -0.03   0.05   0.02    -0.08  -0.05   0.04    -0.00  -0.06  -0.05
     6   6    -0.05   0.04  -0.01    -0.07  -0.02  -0.02    -0.01  -0.07   0.05
     7   6    -0.08  -0.02   0.01    -0.04   0.01   0.10    -0.06   0.04  -0.08
     8   6    -0.04  -0.03  -0.05    -0.02   0.02  -0.00    -0.09  -0.02  -0.02
     9   6    -0.03  -0.03   0.07     0.03  -0.08  -0.01    -0.03   0.02   0.02
    10   6    -0.03  -0.07   0.00     0.02  -0.07  -0.01     0.06   0.07   0.04
    11   6    -0.13   0.05   0.00    -0.03   0.01   0.02    -0.06   0.03  -0.04
    12   6     0.07   0.05  -0.13     0.04   0.01  -0.17     0.03  -0.01   0.18
    13   6     0.04   0.02   0.05    -0.00   0.01   0.05     0.03  -0.09  -0.05
    14   6     0.08  -0.03  -0.02    -0.00   0.06  -0.04    -0.01  -0.08   0.04
    15   7     0.04   0.02  -0.03     0.02  -0.06   0.08    -0.02  -0.02   0.00
    16   6     0.06   0.03  -0.10    -0.04   0.03   0.01     0.03  -0.00   0.02
    17   6     0.06   0.13   0.07    -0.16  -0.01   0.01    -0.05   0.01  -0.01
    18   7    -0.05  -0.06  -0.01    -0.07   0.10  -0.02     0.01   0.11  -0.07
    19   6     0.01  -0.07   0.00     0.04   0.15  -0.08     0.08  -0.01  -0.02
    20   6     0.02  -0.08   0.05     0.12   0.02  -0.03     0.08  -0.00  -0.02
    21   6    -0.09  -0.12  -0.13     0.01  -0.02   0.02    -0.06  -0.00   0.03
    22   6     0.04   0.09  -0.03    -0.10  -0.14   0.09    -0.06  -0.01   0.02
    23   7     0.03   0.02  -0.01    -0.06   0.07  -0.04    -0.03   0.04   0.03
    24   7     0.02   0.02   0.05    -0.02  -0.01   0.04     0.07   0.06  -0.00
    25   7    -0.08   0.03   0.05     0.02  -0.04   0.03    -0.05  -0.05   0.04
    26   6    -0.02   0.00  -0.01    -0.04  -0.04   0.02     0.07   0.11  -0.05
    27   6    -0.02  -0.00  -0.02    -0.05  -0.01  -0.03     0.07   0.01   0.04
    28   6     0.04   0.03  -0.00     0.04   0.03  -0.00    -0.02  -0.03   0.00
    29   6     0.05  -0.01   0.05     0.04   0.00   0.03    -0.01  -0.02   0.02
    30   6    -0.01   0.02   0.00     0.01   0.06   0.04    -0.02   0.08   0.05
    31   6    -0.02   0.00   0.00    -0.01   0.01   0.01    -0.06   0.03  -0.02
    32   6     0.01  -0.02  -0.00    -0.03   0.02   0.02     0.02  -0.03  -0.01
    33   6     0.03   0.00   0.01    -0.08  -0.01  -0.06     0.01  -0.02  -0.01
    34   6     0.04   0.03  -0.01    -0.02  -0.04  -0.00    -0.03  -0.08  -0.02
    35   6     0.07  -0.00  -0.04    -0.04   0.00   0.01    -0.04  -0.00   0.02
    36   6    -0.08  -0.07   0.02     0.02   0.02  -0.01    -0.00   0.01  -0.00
    37   6    -0.11   0.05   0.10     0.03  -0.01  -0.01    -0.01   0.03   0.03
    38   6     0.04   0.04  -0.00     0.04   0.03   0.01    -0.02   0.02  -0.03
    39   6    -0.04   0.01  -0.05    -0.03   0.00  -0.02    -0.01   0.02  -0.04
    40   6    -0.03  -0.03   0.02    -0.02  -0.02   0.01    -0.00  -0.01   0.02
    41   6    -0.02  -0.05   0.02    -0.00  -0.01   0.00    -0.04  -0.06   0.04
    42   6    -0.01   0.00  -0.03     0.02  -0.01   0.02    -0.07   0.04  -0.10
    43   6     0.00   0.01  -0.00     0.02  -0.00   0.03    -0.05   0.03  -0.07
    44   6     0.01  -0.01   0.01     0.03   0.04  -0.02    -0.07  -0.10   0.05
    45   6    -0.02  -0.02   0.00    -0.05  -0.01  -0.03     0.09   0.00   0.08
    46   6     0.02  -0.02  -0.01    -0.02   0.07   0.03     0.03  -0.01   0.01
    47   6    -0.03  -0.00  -0.01     0.08   0.00   0.06     0.00   0.01   0.01
    48   6    -0.00   0.02   0.00     0.01  -0.05  -0.05    -0.01  -0.00  -0.01
    49   6    -0.01   0.02   0.02     0.01  -0.09  -0.06     0.01  -0.03  -0.02
    50   6     0.00  -0.01   0.01     0.08   0.00   0.07     0.07   0.01   0.04
    51   6     0.01  -0.00  -0.00     0.04   0.02   0.03     0.06   0.00   0.04
    52   6     0.00  -0.01   0.00    -0.00  -0.07  -0.04     0.02  -0.07  -0.05
    53   6    -0.02   0.01  -0.00    -0.04  -0.01  -0.04    -0.08   0.03  -0.03
    54   6    -0.10  -0.09   0.00     0.04   0.01  -0.00    -0.00  -0.03  -0.01
    55   6     0.10  -0.05  -0.09    -0.02   0.01   0.00     0.02  -0.02  -0.04
    56   6     0.05   0.08   0.01    -0.00  -0.02   0.01     0.01   0.03   0.02
    57   6     0.05   0.10   0.03    -0.01  -0.00  -0.01     0.03   0.07   0.02
    58   6     0.02  -0.02  -0.02     0.02  -0.01  -0.03     0.06  -0.04  -0.08
    59   6    -0.02  -0.01  -0.00     0.03  -0.01  -0.01     0.04  -0.03  -0.04
    60   6    -0.02  -0.01   0.01     0.01   0.04  -0.00     0.04   0.08   0.02
    61   6     0.06   0.04  -0.02    -0.03  -0.01   0.03    -0.06   0.01   0.05
    62   8    -0.03   0.00   0.01     0.05  -0.00  -0.01    -0.00  -0.00  -0.00
    63  15    -0.01  -0.03   0.02     0.01   0.04  -0.03    -0.00   0.00  -0.00
    64   8     0.01   0.01  -0.01    -0.07  -0.01   0.00     0.01   0.00   0.00
    65   8     0.01   0.00  -0.01    -0.02   0.00   0.05    -0.00  -0.00  -0.01
    66   6     0.00  -0.00  -0.00     0.00  -0.00  -0.04    -0.00  -0.00   0.01
    67   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    68   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    69   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   1     0.09  -0.07  -0.08     0.24  -0.12  -0.10     0.08  -0.06   0.16
    71   1    -0.05   0.09   0.03    -0.12   0.06   0.01    -0.02   0.02   0.06
    72   1    -0.10   0.04  -0.05     0.01  -0.06  -0.20     0.09  -0.05   0.33
    73   1    -0.21  -0.03   0.16    -0.07  -0.03   0.12    -0.09  -0.05  -0.20
    74   1    -0.08  -0.04   0.31    -0.02  -0.06   0.34     0.01  -0.01  -0.35
    75   1     0.06  -0.04   0.10    -0.02   0.05   0.06     0.07   0.03  -0.05
    76   1    -0.04   0.01   0.20     0.01   0.15  -0.07     0.07  -0.02  -0.04
    77   1     0.12   0.09   0.31     0.09  -0.02  -0.01     0.12   0.06  -0.09
    78   1     0.21   0.11   0.01    -0.12  -0.13   0.12    -0.06  -0.01   0.01
    79   1     0.06   0.01   0.05     0.07  -0.01   0.06    -0.03   0.04  -0.04
    80   1    -0.04  -0.00  -0.05    -0.04  -0.02  -0.02     0.01   0.04  -0.05
    81   1     0.04  -0.01   0.06     0.01  -0.01   0.02     0.07   0.00   0.06
    82   1    -0.04  -0.01  -0.02    -0.02   0.02  -0.04    -0.03  -0.08   0.05
    83   1    -0.02   0.04  -0.04     0.02   0.04  -0.01    -0.08  -0.05  -0.05
    84   1     0.02   0.04   0.01    -0.02  -0.02   0.03     0.09   0.12  -0.06
    85   1     0.02  -0.01   0.03     0.04   0.03   0.01    -0.08  -0.10   0.03
    86   1    -0.03  -0.03   0.03    -0.07  -0.07   0.02     0.12   0.10  -0.01
    87   1     0.04  -0.00   0.00    -0.06   0.04  -0.03     0.06   0.01   0.03
    88   1    -0.03   0.01  -0.01     0.08   0.01   0.06    -0.00   0.03   0.02
    89   1     0.03   0.01  -0.00    -0.11   0.01  -0.07    -0.04   0.02  -0.01
    90   1    -0.02   0.01  -0.00     0.04  -0.08  -0.01    -0.02  -0.04  -0.04
    91   1     0.00  -0.02  -0.01     0.09  -0.00   0.04     0.05  -0.05   0.01
    92   1     0.01   0.01  -0.01    -0.03   0.12   0.04    -0.03   0.08   0.06
    93   1     0.01  -0.01   0.00    -0.01  -0.07  -0.05     0.04  -0.08  -0.04
    94   1    -0.01   0.04   0.00    -0.03   0.02  -0.02    -0.06   0.10   0.05
    95   1    -0.16   0.02   0.10     0.06  -0.02  -0.01     0.00  -0.03   0.01
    96   1     0.11  -0.02  -0.08    -0.03  -0.01   0.00     0.01  -0.04  -0.04
    97   1    -0.10   0.06   0.09     0.02  -0.02   0.01    -0.06   0.01   0.07
    98   1     0.10   0.01  -0.04    -0.02   0.02   0.01     0.03   0.07   0.01
    99   1     0.01  -0.09  -0.05     0.02   0.03  -0.02     0.07   0.01  -0.05
   100   1    -0.04  -0.02  -0.00    -0.01  -0.04   0.01    -0.06  -0.11  -0.01
   101   1    -0.05   0.01   0.05     0.02   0.04  -0.02     0.04   0.08   0.01
   102   1     0.07   0.12   0.01    -0.03  -0.06   0.02    -0.06  -0.06   0.02
   103   1     0.00   0.01  -0.02     0.01  -0.02   0.04    -0.00  -0.00  -0.00
   104   1    -0.01  -0.00   0.00     0.06   0.01  -0.05    -0.01   0.00   0.01
   105   1     0.00  -0.00  -0.00    -0.04  -0.07   0.02     0.01   0.01  -0.00
   106   1    -0.00   0.00  -0.01     0.01   0.01   0.04    -0.00  -0.01  -0.01
   107   1    -0.01  -0.01  -0.00     0.03   0.05   0.03     0.00  -0.00  -0.01
   108   1     0.00  -0.00   0.02    -0.03   0.03  -0.05     0.00  -0.00   0.01
   109   1    -0.02   0.02   0.00     0.03  -0.03  -0.01    -0.00   0.00   0.00
   110   1     0.03   0.01   0.00     0.01   0.01   0.00    -0.01  -0.00  -0.00
   111   1    -0.00  -0.01   0.01    -0.01  -0.00  -0.01     0.00   0.00   0.00
   112   1    -0.01  -0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
   113  17     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --    691.6155               705.3792               712.8601
 Red. masses --      6.1731                 5.0431                 6.2522
 Frc consts  --      1.7397                 1.4784                 1.8719
 IR Inten    --      0.8487                 3.9593                14.2025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.20    -0.01  -0.01  -0.07    -0.01  -0.02   0.02
     2   6    -0.13   0.04  -0.02     0.01   0.00   0.05    -0.09  -0.03   0.01
     3   6    -0.10   0.04  -0.12    -0.01  -0.01  -0.15    -0.03   0.01  -0.03
     4   6    -0.04   0.00  -0.01     0.01  -0.00   0.03     0.00   0.07  -0.01
     5   6     0.08  -0.03   0.04    -0.02  -0.01  -0.07     0.19   0.03  -0.03
     6   6     0.07  -0.05  -0.05    -0.01   0.00   0.05     0.09  -0.10  -0.00
     7   6    -0.02   0.02   0.11    -0.06   0.00   0.11    -0.02  -0.05   0.05
     8   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.02     0.01  -0.06  -0.01
     9   6     0.00   0.07   0.02     0.06  -0.08  -0.16    -0.06   0.07  -0.05
    10   6     0.07   0.13   0.03     0.06   0.09   0.25    -0.03   0.09   0.08
    11   6     0.02   0.06   0.02    -0.02   0.00  -0.03    -0.06   0.04  -0.01
    12   6     0.09   0.07  -0.07     0.01  -0.01   0.01    -0.01   0.03  -0.03
    13   6    -0.07  -0.09  -0.01     0.02  -0.01  -0.02     0.05   0.05   0.02
    14   6    -0.05  -0.10  -0.06    -0.02   0.01   0.04     0.13  -0.11   0.03
    15   7    -0.03  -0.01  -0.02     0.04   0.01   0.05    -0.05   0.08  -0.06
    16   6     0.01  -0.05   0.04     0.01   0.05   0.12     0.03   0.01   0.04
    17   6     0.03  -0.03  -0.00    -0.05  -0.05  -0.04     0.01  -0.01  -0.02
    18   7     0.08   0.08  -0.08    -0.03  -0.03  -0.09    -0.01  -0.04  -0.01
    19   6     0.02  -0.07   0.03    -0.06  -0.02  -0.09     0.02  -0.06  -0.00
    20   6    -0.03   0.03  -0.01    -0.01   0.03   0.09     0.02  -0.00   0.02
    21   6    -0.01   0.03   0.01    -0.02  -0.08  -0.20    -0.01  -0.01  -0.04
    22   6    -0.00   0.02  -0.01    -0.00  -0.02   0.11     0.01   0.03   0.01
    23   7    -0.02  -0.04  -0.02     0.01  -0.00  -0.00    -0.06   0.03   0.01
    24   7     0.10   0.01   0.04     0.01   0.01   0.01    -0.04  -0.01  -0.00
    25   7    -0.00  -0.01  -0.00     0.04   0.02   0.00     0.00   0.00   0.00
    26   6     0.00   0.04  -0.04     0.00   0.02  -0.00    -0.03  -0.04   0.04
    27   6    -0.01   0.01  -0.01     0.01  -0.00  -0.00    -0.03  -0.03  -0.02
    28   6     0.08   0.05   0.01     0.01  -0.01  -0.01    -0.03  -0.01  -0.02
    29   6     0.09  -0.05   0.11     0.00  -0.00   0.02    -0.02   0.03  -0.04
    30   6     0.03  -0.08  -0.04    -0.00   0.00  -0.01     0.01   0.06   0.07
    31   6     0.08  -0.02   0.01    -0.01  -0.01   0.01    -0.03   0.05  -0.01
    32   6    -0.04   0.07   0.02     0.01  -0.02   0.00    -0.07   0.05   0.00
    33   6    -0.08   0.01  -0.03     0.03   0.01   0.01    -0.10  -0.03  -0.07
    34   6    -0.01  -0.01  -0.00     0.04   0.08   0.02     0.01   0.01   0.00
    35   6    -0.01  -0.00   0.01     0.06   0.01  -0.04     0.01   0.00  -0.01
    36   6     0.01   0.01   0.00    -0.01  -0.02  -0.00    -0.00  -0.01   0.00
    37   6     0.01   0.00  -0.00    -0.01  -0.02  -0.01    -0.01   0.00   0.00
    38   6     0.10   0.10  -0.02     0.00   0.01   0.00    -0.06  -0.04   0.01
    39   6    -0.09   0.05  -0.12    -0.00   0.00  -0.02     0.03  -0.03   0.05
    40   6    -0.05  -0.09   0.05    -0.01  -0.00   0.01     0.01   0.04  -0.01
    41   6    -0.08  -0.13   0.08    -0.01  -0.02   0.01     0.05   0.07  -0.04
    42   6    -0.07   0.04  -0.09    -0.01   0.01  -0.02     0.06  -0.03   0.07
    43   6    -0.01   0.02  -0.04    -0.01   0.01  -0.01     0.02  -0.01   0.05
    44   6    -0.03  -0.05   0.05    -0.01  -0.02   0.01     0.04   0.05  -0.04
    45   6     0.02  -0.03   0.04     0.01   0.01   0.02    -0.07  -0.00  -0.04
    46   6    -0.06   0.06   0.02     0.02  -0.02  -0.01    -0.09   0.11   0.05
    47   6     0.06  -0.00   0.02    -0.03  -0.00  -0.01     0.11   0.02   0.07
    48   6     0.01  -0.05  -0.02     0.00   0.02   0.00     0.00  -0.08  -0.05
    49   6     0.00  -0.03  -0.02    -0.00   0.02   0.02     0.03  -0.15  -0.11
    50   6    -0.04  -0.01  -0.03    -0.02  -0.00  -0.01     0.14   0.01   0.08
    51   6    -0.05  -0.00  -0.02     0.00   0.00  -0.01     0.05   0.00   0.05
    52   6    -0.02   0.07   0.03    -0.00   0.00   0.01     0.01  -0.08  -0.07
    53   6     0.08  -0.05   0.02     0.01   0.01  -0.00    -0.11   0.03  -0.02
    54   6     0.01   0.00  -0.00     0.00   0.02   0.01    -0.01  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.01   0.02   0.02     0.00  -0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
    57   6     0.00   0.00   0.00    -0.03  -0.05  -0.02    -0.00  -0.00   0.00
    58   6     0.01  -0.00  -0.01    -0.06   0.05   0.07    -0.01   0.01   0.01
    59   6     0.01  -0.00  -0.01    -0.04   0.03   0.05    -0.01   0.01   0.01
    60   6     0.01   0.01   0.00    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    61   6    -0.01  -0.00   0.01     0.09   0.01  -0.06     0.01   0.00  -0.01
    62   8    -0.01   0.00  -0.00     0.03   0.00  -0.00    -0.07  -0.01   0.02
    63  15    -0.00   0.00   0.00     0.01   0.01  -0.01    -0.04   0.01   0.02
    64   8     0.03   0.00   0.00    -0.05  -0.01  -0.00     0.12   0.00  -0.01
    65   8     0.01  -0.00  -0.01    -0.01   0.00   0.02     0.04  -0.01  -0.09
    66   6    -0.00   0.00   0.02     0.00   0.00  -0.02    -0.01   0.00   0.08
    67   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.01   0.02
    68   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.04  -0.06   0.01
    69   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    70   1    -0.16   0.10  -0.10     0.06   0.01   0.35    -0.09  -0.02   0.07
    71   1     0.10  -0.11  -0.01    -0.02   0.02   0.06     0.21   0.01   0.03
    72   1     0.06  -0.09  -0.31     0.02   0.02   0.26     0.04  -0.08   0.04
    73   1     0.02   0.04  -0.02     0.04   0.02  -0.24    -0.03   0.07  -0.06
    74   1    -0.25  -0.10   0.08     0.05   0.01  -0.11    -0.04   0.05   0.00
    75   1    -0.07  -0.12  -0.01     0.02   0.05  -0.03     0.12  -0.13  -0.03
    76   1     0.07  -0.08  -0.02    -0.08  -0.03  -0.10     0.01  -0.07  -0.04
    77   1    -0.01   0.06  -0.07     0.01   0.09   0.33     0.05   0.04   0.03
    78   1    -0.07   0.02  -0.01     0.00   0.09   0.36     0.03   0.06   0.06
    79   1     0.15   0.02   0.09     0.00   0.02   0.02    -0.06  -0.02  -0.04
    80   1    -0.10   0.02  -0.11    -0.00  -0.00  -0.02     0.06  -0.03   0.02
    81   1     0.15  -0.05   0.14     0.02  -0.00   0.02    -0.07  -0.01  -0.08
    82   1    -0.11  -0.08  -0.01     0.00  -0.03  -0.02     0.08   0.04  -0.05
    83   1    -0.07   0.04  -0.08    -0.01  -0.02  -0.03     0.08  -0.02   0.04
    84   1     0.10   0.09  -0.03     0.02   0.02  -0.01    -0.08  -0.07   0.04
    85   1    -0.01  -0.06   0.06    -0.00  -0.03  -0.01     0.05   0.04  -0.02
    86   1     0.02  -0.03   0.02     0.02   0.02   0.00    -0.09  -0.04   0.02
    87   1    -0.14   0.01  -0.04     0.04  -0.01   0.01    -0.16   0.08  -0.05
    88   1     0.07  -0.03  -0.00    -0.03  -0.00   0.01     0.13  -0.01   0.02
    89   1    -0.04  -0.02  -0.02     0.03  -0.01   0.02    -0.18   0.04  -0.10
    90   1     0.06   0.01   0.02    -0.03  -0.00   0.03     0.08  -0.11  -0.09
    91   1    -0.01   0.07   0.00    -0.03  -0.02   0.02     0.14  -0.01   0.05
    92   1     0.00  -0.06  -0.04     0.01  -0.02  -0.00    -0.08   0.13   0.09
    93   1    -0.05   0.07   0.01    -0.00  -0.01   0.02     0.03  -0.08  -0.05
    94   1     0.05  -0.13  -0.05     0.01   0.01  -0.00    -0.11   0.07   0.06
    95   1     0.01  -0.00  -0.01    -0.01   0.03   0.01    -0.01   0.01   0.01
    96   1    -0.00  -0.00   0.00    -0.00   0.02   0.03     0.01   0.00  -0.00
    97   1    -0.00  -0.00   0.00     0.06  -0.00  -0.03    -0.00   0.00  -0.00
    98   1    -0.00   0.01   0.01    -0.02  -0.08  -0.01     0.00  -0.01  -0.00
    99   1     0.01   0.01   0.00    -0.06  -0.03   0.05    -0.00  -0.01   0.01
   100   1    -0.00  -0.01  -0.00     0.07   0.10   0.03     0.01   0.01   0.01
   101   1     0.01   0.01   0.00    -0.06  -0.07   0.01    -0.01  -0.01   0.01
   102   1    -0.01  -0.02  -0.00     0.11   0.10   0.00     0.02   0.02   0.00
   103   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.02   0.04  -0.06
   104   1    -0.02  -0.00   0.02     0.04   0.00  -0.04    -0.11  -0.02   0.10
   105   1     0.02   0.03  -0.01    -0.04  -0.05   0.01     0.09   0.14  -0.03
   106   1    -0.01  -0.01  -0.02     0.01   0.01   0.03    -0.02  -0.01  -0.07
   107   1    -0.01  -0.02  -0.01     0.01   0.02   0.02    -0.06  -0.08  -0.06
   108   1     0.01  -0.01   0.01    -0.01   0.01  -0.02     0.08  -0.09   0.09
   109   1    -0.01   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.02   0.03
   110   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.12  -0.05  -0.01
   111   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.03   0.05   0.01
   112   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.03   0.04   0.01
   113  17    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
                    109                    110                    111
                      A                      A                      A
 Frequencies --    727.1239               729.9733               739.3053
 Red. masses --      6.0972                 5.3369                 2.9468
 Frc consts  --      1.8993                 1.6755                 0.9490
 IR Inten    --      1.9205                14.9906                11.6602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.04     0.00   0.03   0.01    -0.00   0.00   0.01
     2   6    -0.10   0.05  -0.00     0.13   0.01  -0.01    -0.00   0.01  -0.01
     3   6    -0.06   0.05  -0.04     0.05  -0.04  -0.03    -0.00   0.01  -0.01
     4   6     0.00  -0.00  -0.01    -0.01  -0.07   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.01   0.01    -0.14  -0.09   0.02     0.00  -0.00  -0.00
     6   6     0.00  -0.02  -0.01    -0.04   0.02  -0.00    -0.00  -0.00  -0.00
     7   6    -0.01   0.02   0.07     0.08   0.02   0.03    -0.01   0.01   0.02
     8   6     0.00  -0.04  -0.04     0.01   0.06  -0.01     0.00   0.00  -0.03
     9   6    -0.03  -0.03  -0.03    -0.05   0.05  -0.05     0.00  -0.00  -0.01
    10   6     0.08   0.02   0.05    -0.03  -0.00   0.05     0.01   0.00   0.02
    11   6     0.01   0.05  -0.01     0.15  -0.03   0.03     0.00   0.00  -0.00
    12   6     0.02   0.03   0.03    -0.01  -0.02   0.00     0.00  -0.00   0.01
    13   6     0.04   0.00  -0.01    -0.05  -0.02  -0.03     0.00  -0.01  -0.00
    14   6     0.07  -0.08   0.03    -0.12   0.09  -0.00    -0.00  -0.01   0.01
    15   7    -0.06  -0.04   0.03    -0.07   0.10  -0.05     0.01   0.01   0.01
    16   6    -0.07   0.04   0.08    -0.00   0.04   0.03    -0.01  -0.02  -0.06
    17   6     0.03  -0.08  -0.04    -0.01  -0.03  -0.03     0.01   0.03   0.05
    18   7     0.09  -0.04  -0.01    -0.03  -0.08   0.03    -0.00  -0.01  -0.02
    19   6    -0.03   0.16  -0.11     0.02   0.04  -0.04    -0.00   0.00   0.02
    20   6     0.04   0.08  -0.00     0.05   0.01   0.01    -0.01  -0.01  -0.01
    21   6     0.06  -0.02  -0.08     0.01  -0.02  -0.04     0.00   0.01   0.02
    22   6     0.06  -0.07   0.05     0.01  -0.02   0.03    -0.00   0.00  -0.01
    23   7     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.01  -0.01   0.02
    24   7    -0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.02  -0.02  -0.03
    25   7    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.02  -0.04
    26   6    -0.01  -0.03   0.04     0.01  -0.02  -0.03    -0.04   0.05   0.05
    27   6    -0.03  -0.03  -0.02    -0.01   0.02   0.02     0.04  -0.05  -0.05
    28   6    -0.04  -0.01  -0.02     0.00   0.02   0.02     0.04  -0.05  -0.05
    29   6    -0.01   0.03  -0.04     0.02  -0.02  -0.00    -0.04   0.06   0.05
    30   6    -0.01  -0.05  -0.03     0.01   0.01  -0.03     0.02   0.02  -0.04
    31   6     0.04  -0.03  -0.01    -0.00  -0.03   0.02    -0.01  -0.03   0.03
    32   6     0.03   0.00  -0.00     0.00  -0.02   0.02    -0.02  -0.02   0.03
    33   6     0.00   0.01   0.03     0.02   0.02  -0.01     0.02   0.03  -0.03
    34   6    -0.00  -0.08  -0.05     0.00  -0.02  -0.01     0.06  -0.05   0.09
    35   6    -0.06  -0.05   0.02    -0.01  -0.01  -0.00    -0.06   0.06  -0.09
    36   6    -0.09  -0.02   0.03    -0.02  -0.00   0.00    -0.06   0.05  -0.09
    37   6    -0.03   0.06   0.08    -0.00   0.01   0.02     0.06  -0.06   0.09
    38   6    -0.08  -0.04  -0.01     0.04   0.01  -0.01    -0.03   0.03   0.03
    39   6     0.02  -0.02   0.04    -0.02   0.01  -0.01     0.02  -0.02  -0.02
    40   6     0.01   0.03  -0.01     0.00  -0.03  -0.00    -0.03   0.04   0.04
    41   6     0.05   0.08  -0.03    -0.02  -0.02   0.02     0.01  -0.01  -0.01
    42   6     0.07  -0.02   0.07    -0.02   0.01  -0.00     0.01  -0.02  -0.01
    43   6     0.02  -0.00   0.03     0.01  -0.01  -0.01    -0.03   0.04   0.04
    44   6     0.02   0.03  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.02
    45   6    -0.08  -0.02  -0.03     0.02  -0.01  -0.01    -0.03   0.03   0.03
    46   6     0.03  -0.04  -0.00     0.03  -0.01  -0.02     0.02   0.02  -0.02
    47   6    -0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.01  -0.01   0.01
    48   6    -0.01   0.01   0.01     0.01   0.02  -0.01     0.01   0.02  -0.03
    49   6    -0.02   0.06   0.03    -0.01   0.03   0.02    -0.01  -0.00   0.01
    50   6    -0.08  -0.00  -0.05    -0.03  -0.01  -0.00    -0.01  -0.01   0.00
    51   6    -0.04  -0.01  -0.02     0.00   0.01  -0.02     0.01   0.02  -0.03
    52   6    -0.00   0.04   0.03    -0.01  -0.00   0.02    -0.01  -0.01   0.02
    53   6     0.08  -0.05   0.02     0.03  -0.00  -0.01     0.02   0.01  -0.02
    54   6    -0.15  -0.09   0.04    -0.03  -0.02   0.01     0.05  -0.04   0.06
    55   6     0.05  -0.04  -0.08     0.01  -0.01  -0.02    -0.03   0.03  -0.04
    56   6     0.04   0.06   0.02     0.01   0.01   0.01     0.04  -0.04   0.07
    57   6     0.09   0.17   0.03     0.02   0.04   0.00    -0.02   0.01  -0.02
    58   6     0.13  -0.06  -0.13     0.03  -0.01  -0.03    -0.02   0.02  -0.01
    59   6     0.04  -0.02  -0.04     0.01  -0.01  -0.00     0.04  -0.04   0.07
    60   6     0.03   0.08   0.04     0.00   0.02   0.01    -0.03   0.02  -0.04
    61   6    -0.14  -0.03   0.08    -0.03  -0.01   0.02     0.05  -0.04   0.06
    62   8     0.03   0.01  -0.01    -0.11  -0.03   0.04    -0.00  -0.00   0.00
    63  15     0.02   0.01  -0.01    -0.09   0.07  -0.00    -0.00   0.00   0.00
    64   8    -0.04  -0.01   0.00     0.20  -0.01  -0.02     0.00   0.00  -0.00
    65   8    -0.01   0.00   0.02     0.06  -0.02  -0.15     0.00  -0.00  -0.01
    66   6     0.00   0.00  -0.02    -0.01  -0.00   0.14     0.00  -0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.01   0.02   0.04    -0.00   0.00   0.00
    68   6    -0.01   0.01  -0.00     0.07  -0.12   0.03     0.00  -0.01   0.00
    69   6     0.00   0.00  -0.00    -0.02  -0.05   0.01    -0.00  -0.00   0.00
    70   1    -0.11   0.09   0.05     0.15  -0.02   0.01     0.00   0.00   0.02
    71   1     0.01   0.01   0.03    -0.13  -0.10   0.03     0.00   0.01   0.02
    72   1     0.01  -0.02  -0.02     0.07   0.00  -0.02     0.00  -0.00   0.01
    73   1     0.04   0.07  -0.11     0.19   0.02   0.01     0.02   0.01  -0.07
    74   1    -0.03   0.02  -0.06     0.04  -0.02  -0.04     0.00   0.00  -0.05
    75   1     0.08  -0.08   0.02    -0.11   0.10  -0.01    -0.00  -0.00   0.01
    76   1     0.01   0.14  -0.15    -0.01   0.03  -0.07     0.01   0.02   0.06
    77   1    -0.01   0.01   0.09     0.05   0.00   0.03    -0.02  -0.02  -0.03
    78   1     0.02  -0.02   0.17     0.02   0.01   0.09    -0.02  -0.05  -0.12
    79   1    -0.08  -0.03  -0.07     0.03   0.00   0.02    -0.00  -0.01  -0.00
    80   1     0.07  -0.01  -0.00    -0.05   0.03   0.02     0.10  -0.12  -0.12
    81   1    -0.06  -0.02  -0.08     0.01   0.02   0.04     0.06  -0.08  -0.08
    82   1     0.08   0.04  -0.05    -0.05   0.03   0.05     0.13  -0.17  -0.15
    83   1     0.07  -0.02   0.06    -0.04   0.04   0.02     0.13  -0.16  -0.14
    84   1    -0.07  -0.06   0.02     0.01   0.00  -0.00     0.05  -0.07  -0.06
    85   1     0.05   0.02   0.01    -0.02   0.01   0.01     0.09  -0.12  -0.11
    86   1    -0.10  -0.05   0.01     0.02  -0.02  -0.02    -0.01  -0.01   0.00
    87   1     0.04  -0.04   0.02     0.03  -0.02   0.01    -0.00  -0.01   0.00
    88   1    -0.02   0.02   0.00    -0.05  -0.03   0.05    -0.04  -0.06   0.08
    89   1     0.05  -0.03   0.03     0.02  -0.03   0.04    -0.02  -0.05   0.05
    90   1    -0.01   0.07   0.03    -0.04  -0.02   0.08    -0.06  -0.08   0.11
    91   1    -0.06   0.03  -0.05    -0.05  -0.04   0.04    -0.07  -0.08   0.09
    92   1     0.04  -0.07  -0.05     0.01  -0.02  -0.01    -0.02  -0.04   0.04
    93   1    -0.03   0.06  -0.01    -0.03  -0.01   0.03    -0.05  -0.05   0.07
    94   1     0.07  -0.09  -0.04     0.03  -0.01  -0.03     0.01  -0.01  -0.01
    95   1    -0.17  -0.03   0.16    -0.04  -0.01   0.04     0.00   0.00  -0.01
    96   1     0.11   0.01  -0.03     0.02   0.01  -0.01    -0.14   0.13  -0.20
    97   1    -0.13   0.01   0.15    -0.03   0.00   0.03    -0.08   0.08  -0.13
    98   1     0.11   0.14   0.03     0.02   0.04  -0.01    -0.18   0.18  -0.26
    99   1     0.12  -0.05  -0.14     0.02  -0.01  -0.04    -0.19   0.18  -0.26
   100   1    -0.14  -0.12  -0.02    -0.03  -0.02  -0.00    -0.09   0.09  -0.13
   101   1     0.07   0.06  -0.05     0.01   0.02  -0.02    -0.14   0.13  -0.20
   102   1    -0.17  -0.10   0.01    -0.04  -0.02   0.00     0.00   0.01  -0.01
   103   1     0.00  -0.02   0.03    -0.04   0.08  -0.11    -0.00   0.00  -0.00
   104   1     0.04   0.01  -0.03    -0.22  -0.05   0.20    -0.01  -0.00   0.00
   105   1    -0.03  -0.04   0.01     0.17   0.29  -0.05     0.00   0.00  -0.00
   106   1     0.01  -0.00   0.02    -0.04  -0.00  -0.13    -0.00   0.00  -0.00
   107   1     0.02   0.03   0.02    -0.11  -0.16  -0.11    -0.00  -0.00  -0.00
   108   1    -0.02   0.02  -0.02     0.15  -0.14   0.15     0.01  -0.01   0.01
   109   1     0.02  -0.01  -0.01    -0.05   0.02   0.05    -0.00   0.00   0.00
   110   1     0.01   0.01  -0.00    -0.25  -0.11  -0.02    -0.01  -0.01  -0.00
   111   1    -0.01  -0.01  -0.00     0.07   0.11   0.01     0.00   0.01   0.00
   112   1     0.01  -0.00  -0.00    -0.05   0.07   0.01    -0.00   0.00   0.00
   113  17     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --    739.7445               740.3089               744.9238
 Red. masses --      2.9190                 3.0355                 5.2362
 Frc consts  --      0.9411                 0.9802                 1.7119
 IR Inten    --     16.2268                14.2970                 8.1916
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.00   0.01   0.00    -0.05   0.04   0.04
     2   6     0.00   0.00   0.01     0.03   0.00   0.00     0.03   0.06  -0.02
     3   6    -0.00  -0.00  -0.01     0.02  -0.00   0.00     0.03   0.07  -0.04
     4   6     0.00   0.00   0.00     0.01  -0.01  -0.02     0.05  -0.04  -0.02
     5   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01    -0.03  -0.05   0.00
     6   6    -0.00   0.00   0.01    -0.01   0.00   0.01    -0.04  -0.06  -0.00
     7   6    -0.01  -0.00  -0.01     0.01   0.00   0.01    -0.06   0.07   0.09
     8   6    -0.01  -0.01   0.02     0.01   0.01  -0.01    -0.04  -0.02  -0.08
     9   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.01  -0.03  -0.01
    10   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.05   0.02   0.10
    11   6    -0.01   0.00  -0.00     0.01  -0.01   0.01    -0.03   0.07  -0.03
    12   6     0.00   0.00  -0.01    -0.00  -0.01   0.00     0.06   0.02   0.06
    13   6     0.01   0.00   0.00    -0.01  -0.00  -0.00     0.05  -0.06  -0.03
    14   6     0.01  -0.00  -0.00    -0.02   0.02   0.00     0.04  -0.09   0.04
    15   7     0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.01   0.05
    16   6     0.00   0.01   0.01     0.00   0.01  -0.00    -0.01  -0.08  -0.16
    17   6    -0.00  -0.01  -0.02    -0.01   0.00  -0.00     0.01   0.11   0.17
    18   7     0.00   0.00   0.00    -0.01  -0.01   0.01    -0.03   0.04  -0.10
    19   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.04  -0.03   0.06
    20   6    -0.00   0.00   0.02     0.01  -0.00   0.00    -0.00  -0.05  -0.06
    21   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.03   0.09
    22   6     0.00   0.01   0.01    -0.01  -0.00   0.00    -0.05  -0.00  -0.04
    23   7     0.01   0.02  -0.03     0.02   0.03  -0.05    -0.01   0.02  -0.00
    24   7    -0.02   0.03   0.03     0.02  -0.02  -0.03     0.01   0.02   0.02
    25   7    -0.02   0.02  -0.04     0.00  -0.00   0.00    -0.01  -0.01   0.02
    26   6     0.05  -0.06  -0.06    -0.05   0.06   0.05     0.03  -0.03   0.03
    27   6    -0.05   0.06   0.06     0.04  -0.05  -0.05    -0.04  -0.02   0.02
    28   6    -0.05   0.06   0.06     0.05  -0.05  -0.05    -0.06   0.02  -0.00
    29   6     0.05  -0.06  -0.06    -0.05   0.06   0.06     0.04   0.00  -0.06
    30   6    -0.03  -0.04   0.06    -0.06  -0.08   0.09    -0.02  -0.01  -0.03
    31   6     0.02   0.04  -0.05     0.05   0.07  -0.10     0.03  -0.04  -0.01
    32   6     0.03   0.04  -0.05     0.06   0.07  -0.10     0.04   0.00   0.00
    33   6    -0.03  -0.04   0.06    -0.05  -0.08   0.11    -0.01   0.02   0.04
    34   6     0.05  -0.04   0.08    -0.01   0.01  -0.01    -0.04   0.03  -0.00
    35   6    -0.04   0.05  -0.08     0.01  -0.00   0.01     0.02   0.01   0.02
    36   6    -0.05   0.04  -0.07     0.01  -0.00   0.01     0.05  -0.01   0.00
    37   6     0.05  -0.05   0.07    -0.01   0.00  -0.01    -0.01  -0.02  -0.04
    38   6     0.03  -0.04  -0.04    -0.02   0.04   0.04    -0.10  -0.06  -0.05
    39   6    -0.02   0.03   0.03     0.02  -0.02  -0.03    -0.01   0.00   0.03
    40   6     0.04  -0.05  -0.04    -0.03   0.04   0.04     0.02  -0.01  -0.01
    41   6    -0.01   0.02   0.01     0.01  -0.02  -0.01     0.07   0.10  -0.01
    42   6    -0.01   0.02   0.01     0.00  -0.01  -0.02     0.08  -0.01   0.07
    43   6     0.04  -0.05  -0.04    -0.03   0.04   0.04     0.02  -0.00  -0.02
    44   6    -0.02   0.03   0.02     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    45   6     0.03  -0.04  -0.04    -0.02   0.04   0.04    -0.08  -0.06  -0.04
    46   6    -0.01  -0.03   0.04    -0.02  -0.06   0.06     0.07  -0.05   0.01
    47   6     0.01   0.02  -0.02     0.02   0.03  -0.05     0.01  -0.00  -0.02
    48   6    -0.02  -0.03   0.04    -0.04  -0.05   0.07    -0.01  -0.00  -0.00
    49   6     0.01   0.01  -0.01     0.01   0.03  -0.02    -0.03   0.08   0.03
    50   6     0.01   0.01  -0.01     0.00   0.02  -0.02    -0.10   0.01  -0.04
    51   6    -0.02  -0.03   0.04    -0.04  -0.05   0.07    -0.02   0.00   0.00
    52   6     0.01   0.02  -0.02     0.02   0.03  -0.04     0.00   0.00   0.02
    53   6    -0.02  -0.03   0.04    -0.03  -0.06   0.07     0.08  -0.07   0.00
    54   6     0.04  -0.03   0.05     0.00   0.01  -0.01     0.07   0.04  -0.05
    55   6    -0.02   0.02  -0.03     0.00  -0.00   0.00    -0.00   0.01   0.02
    56   6     0.04  -0.03   0.06    -0.01   0.00  -0.01    -0.02   0.00  -0.02
    57   6    -0.01   0.01  -0.02    -0.00  -0.01   0.00    -0.05  -0.06  -0.01
    58   6    -0.02   0.02  -0.01    -0.00   0.00   0.01    -0.05   0.00   0.05
    59   6     0.03  -0.03   0.06    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
    60   6    -0.02   0.02  -0.03     0.00  -0.00   0.00     0.02  -0.00   0.00
    61   6     0.04  -0.03   0.05     0.00   0.01  -0.01     0.04   0.04  -0.03
    62   8     0.00   0.00  -0.00    -0.01  -0.00   0.01    -0.03  -0.01   0.01
    63  15     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.02   0.03  -0.00
    64   8    -0.00  -0.00  -0.00     0.03  -0.00  -0.00     0.04   0.00  -0.00
    65   8    -0.00   0.00   0.00     0.01  -0.00  -0.02     0.02  -0.01  -0.04
    66   6     0.00   0.00  -0.00    -0.00  -0.00   0.02    -0.00  -0.00   0.02
    67   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
    68   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.02  -0.03   0.00
    69   6     0.00   0.00   0.00    -0.00  -0.01   0.00    -0.01  -0.02   0.00
    70   1    -0.00   0.00   0.00     0.03  -0.02  -0.05     0.07  -0.02   0.03
    71   1    -0.00   0.00  -0.01    -0.03   0.00   0.00    -0.06   0.04   0.08
    72   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.04  -0.07   0.02
    73   1    -0.02  -0.01   0.04     0.03   0.00  -0.04    -0.03   0.02  -0.19
    74   1    -0.01  -0.01   0.04     0.02   0.00  -0.03    -0.04  -0.04  -0.10
    75   1     0.01  -0.00  -0.00    -0.02   0.02   0.00     0.08  -0.03   0.05
    76   1    -0.02  -0.02  -0.03    -0.01   0.01  -0.00     0.08   0.06   0.26
    77   1    -0.01  -0.01  -0.02     0.01  -0.00   0.01     0.05   0.04  -0.02
    78   1     0.00   0.01   0.01    -0.00   0.00   0.01    -0.09  -0.12  -0.29
    79   1    -0.01   0.00  -0.00     0.01   0.01   0.02    -0.09  -0.06  -0.12
    80   1    -0.11   0.15   0.14     0.08  -0.12  -0.11     0.06   0.06  -0.03
    81   1    -0.07   0.10   0.09     0.06  -0.07  -0.06    -0.06  -0.04  -0.06
    82   1    -0.14   0.20   0.17     0.11  -0.17  -0.14     0.05   0.13  -0.03
    83   1    -0.14   0.19   0.17     0.12  -0.16  -0.16     0.02   0.04   0.17
    84   1    -0.07   0.09   0.08     0.07  -0.08  -0.07    -0.12   0.03   0.05
    85   1    -0.11   0.14   0.13     0.10  -0.13  -0.13    -0.01   0.07   0.14
    86   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.13  -0.03   0.03
    87   1     0.01   0.00   0.00     0.02  -0.01   0.01     0.07  -0.07   0.06
    88   1     0.06   0.10  -0.12     0.10   0.17  -0.20    -0.03   0.03   0.06
    89   1     0.04   0.06  -0.08     0.08   0.09  -0.12     0.04  -0.06   0.03
    90   1     0.09   0.13  -0.15     0.15   0.24  -0.26    -0.01   0.09   0.06
    91   1     0.09   0.12  -0.15     0.16   0.23  -0.29    -0.08   0.03  -0.09
    92   1     0.04   0.06  -0.07     0.09   0.11  -0.15     0.08  -0.01  -0.07
    93   1     0.07   0.09  -0.12     0.13   0.18  -0.23    -0.03   0.05  -0.09
    94   1    -0.00   0.01   0.00     0.01   0.01  -0.01     0.10  -0.06  -0.08
    95   1    -0.01   0.01  -0.01     0.01  -0.00  -0.00     0.10  -0.01  -0.05
    96   1    -0.12   0.11  -0.17     0.01  -0.02   0.02     0.01  -0.09   0.06
    97   1    -0.07   0.08  -0.11     0.01  -0.01   0.01     0.09  -0.03   0.02
    98   1    -0.15   0.14  -0.22     0.01  -0.02   0.02     0.01  -0.12   0.06
    99   1    -0.15   0.14  -0.21     0.01  -0.01   0.03    -0.01   0.00   0.10
   100   1    -0.06   0.07  -0.10     0.01  -0.01   0.01     0.05  -0.00   0.01
   101   1    -0.12   0.10  -0.16     0.01  -0.01   0.02     0.00  -0.01   0.08
   102   1     0.01   0.01   0.00     0.01   0.00   0.00     0.05   0.03  -0.01
   103   1     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.02  -0.03
   104   1     0.00   0.00  -0.01    -0.03  -0.01   0.02    -0.05  -0.01   0.04
   105   1    -0.01  -0.01   0.00     0.02   0.04  -0.01     0.03   0.05  -0.01
   106   1     0.00   0.00   0.00    -0.00   0.00  -0.02    -0.01   0.01  -0.03
   107   1     0.00   0.00   0.00    -0.02  -0.02  -0.01    -0.03  -0.03  -0.02
   108   1    -0.00   0.00  -0.00     0.02  -0.02   0.02     0.05  -0.04   0.05
   109   1    -0.00   0.00  -0.00    -0.01   0.00   0.01    -0.02   0.01   0.02
   110   1     0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.08  -0.03  -0.01
   111   1    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.03   0.04   0.01
   112   1     0.00  -0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.00
   113  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --    748.6589               752.7930               755.5299
 Red. masses --      4.8581                 3.9667                 1.4993
 Frc consts  --      1.6043                 1.3244                 0.5042
 IR Inten    --     12.0701                 2.0918                 0.4411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03   0.05    -0.02  -0.01  -0.15    -0.01   0.00  -0.00
     2   6     0.01  -0.05  -0.02    -0.05   0.01   0.08    -0.00   0.01   0.00
     3   6    -0.01  -0.05  -0.01    -0.03   0.00  -0.16     0.00   0.01  -0.00
     4   6    -0.03   0.02  -0.04     0.01   0.03   0.21     0.01  -0.00   0.00
     5   6     0.01   0.04   0.00     0.02  -0.00  -0.08    -0.00  -0.00  -0.00
     6   6     0.01   0.05  -0.02     0.02  -0.00   0.09    -0.00  -0.01  -0.00
     7   6    -0.03  -0.05   0.15     0.03  -0.01  -0.09    -0.00   0.01  -0.01
     8   6     0.06   0.05  -0.12    -0.02  -0.04   0.17    -0.01  -0.01   0.01
     9   6     0.02  -0.00  -0.09     0.03  -0.02  -0.05    -0.00  -0.01   0.00
    10   6    -0.01   0.03   0.13     0.02  -0.00  -0.03     0.01  -0.00   0.00
    11   6     0.03  -0.04  -0.05    -0.03  -0.01   0.06    -0.00   0.01   0.00
    12   6    -0.06  -0.04   0.07     0.02   0.03  -0.13     0.01   0.00  -0.01
    13   6     0.01   0.04  -0.06    -0.02   0.01   0.07     0.00  -0.01   0.01
    14   6    -0.04   0.05   0.07     0.03   0.00  -0.06     0.01  -0.01  -0.00
    15   7     0.02   0.06   0.04     0.00   0.02   0.04     0.00  -0.00   0.00
    16   6    -0.07  -0.06  -0.17    -0.04  -0.05  -0.08     0.00  -0.00  -0.00
    17   6     0.05   0.06   0.19     0.03   0.03   0.12    -0.00   0.00   0.00
    18   7    -0.03  -0.14  -0.04     0.02   0.00  -0.05     0.00   0.01  -0.01
    19   6    -0.03   0.09   0.01    -0.01   0.03   0.01     0.00  -0.00   0.00
    20   6    -0.03  -0.00  -0.07    -0.03   0.01  -0.05     0.00  -0.00  -0.00
    21   6     0.06   0.03   0.06     0.03   0.03   0.03    -0.00   0.00   0.00
    22   6     0.02  -0.04  -0.03    -0.00  -0.04  -0.01    -0.00  -0.00  -0.00
    23   7     0.02  -0.00  -0.01    -0.01  -0.00   0.00    -0.01   0.00   0.00
    24   7    -0.02  -0.00   0.01    -0.01   0.00  -0.00     0.01   0.00  -0.00
    25   7     0.02   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    26   6     0.01  -0.01  -0.05    -0.02  -0.01  -0.01     0.03  -0.04  -0.03
    27   6     0.01   0.04   0.03    -0.01   0.00  -0.02    -0.01   0.01   0.01
    28   6     0.01  -0.00   0.02     0.03   0.01   0.00     0.01  -0.01  -0.02
    29   6    -0.02  -0.03   0.00    -0.01   0.01   0.03    -0.04   0.06   0.05
    30   6     0.02  -0.01   0.04    -0.01   0.01   0.00    -0.03  -0.04   0.05
    31   6    -0.00   0.04  -0.00    -0.01   0.00  -0.01     0.01   0.01  -0.02
    32   6    -0.03   0.01  -0.01     0.02  -0.01  -0.01    -0.00  -0.01   0.02
    33   6     0.00  -0.02  -0.03    -0.01  -0.02   0.03     0.03   0.05  -0.05
    34   6    -0.01   0.00  -0.05    -0.02   0.02  -0.05     0.00  -0.00   0.01
    35   6    -0.01  -0.03   0.02    -0.00  -0.02   0.02    -0.00   0.00  -0.00
    36   6    -0.01   0.01   0.02    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   6     0.02   0.02   0.01     0.03  -0.01   0.03    -0.01   0.00  -0.01
    38   6     0.06   0.00   0.01     0.04   0.02   0.01    -0.00  -0.02  -0.02
    39   6     0.02   0.00   0.00     0.00  -0.01  -0.02     0.02  -0.03  -0.03
    40   6     0.01   0.00  -0.03    -0.01  -0.01   0.00     0.01  -0.01  -0.01
    41   6    -0.05  -0.04   0.01    -0.01  -0.03   0.00     0.03  -0.02  -0.03
    42   6    -0.06   0.02  -0.04    -0.02  -0.00  -0.00    -0.01   0.02   0.03
    43   6    -0.00  -0.02  -0.01     0.00  -0.01   0.02    -0.00   0.01   0.01
    44   6    -0.01   0.01   0.02     0.01   0.02   0.00    -0.02   0.03   0.02
    45   6     0.08   0.03   0.01    -0.01   0.01  -0.00    -0.02   0.00   0.01
    46   6    -0.08   0.04   0.01     0.03  -0.02  -0.00     0.01  -0.02   0.01
    47   6    -0.01   0.00   0.01     0.00   0.01  -0.02    -0.02  -0.03   0.03
    48   6     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.01  -0.01   0.01
    49   6     0.02  -0.07  -0.02     0.01   0.03  -0.01    -0.02  -0.01   0.04
    50   6     0.07  -0.01   0.02    -0.01   0.01   0.00     0.00   0.02  -0.03
    51   6    -0.00  -0.02  -0.00     0.01   0.00   0.02     0.01   0.01  -0.01
    52   6    -0.00   0.01  -0.01     0.01  -0.01  -0.00     0.02   0.02  -0.03
    53   6    -0.06   0.05   0.01    -0.01  -0.00   0.00     0.02  -0.00  -0.02
    54   6    -0.06  -0.01   0.01    -0.03   0.00  -0.00     0.01  -0.00  -0.00
    55   6    -0.02   0.00  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
    56   6    -0.00  -0.00  -0.02    -0.01  -0.00  -0.02     0.00   0.00   0.00
    57   6     0.03   0.05  -0.01     0.01   0.04  -0.02    -0.00  -0.01   0.00
    58   6     0.06  -0.02  -0.02     0.04  -0.02  -0.00    -0.01   0.00  -0.00
    59   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    60   6     0.01  -0.01   0.02     0.01  -0.02   0.02    -0.00   0.01  -0.01
    61   6    -0.06  -0.03   0.02    -0.03  -0.02   0.02     0.00   0.00  -0.00
    62   8     0.02   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15     0.02  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.01  -0.00
    64   8    -0.04   0.00   0.00     0.02  -0.00  -0.00     0.01  -0.00  -0.00
    65   8    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.00  -0.00  -0.00
    66   6     0.00   0.00  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    67   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    68   6    -0.01   0.01   0.00     0.02  -0.03   0.01     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    70   1     0.00  -0.02   0.01    -0.02   0.05   0.36    -0.00   0.01  -0.01
    71   1     0.04  -0.00   0.08     0.00  -0.03  -0.27    -0.00   0.01   0.01
    72   1    -0.05   0.06  -0.02     0.03   0.00   0.14     0.00  -0.00   0.02
    73   1     0.12   0.02  -0.28    -0.04   0.01   0.20    -0.02   0.00   0.03
    74   1     0.10   0.05  -0.10    -0.04  -0.00   0.12    -0.00  -0.00  -0.01
    75   1    -0.07   0.01   0.12     0.05   0.01  -0.20     0.01   0.00  -0.03
    76   1     0.05   0.18   0.23     0.05   0.08   0.13     0.00  -0.00   0.00
    77   1    -0.06  -0.03   0.06    -0.03   0.02   0.04     0.00   0.00  -0.00
    78   1    -0.06  -0.17  -0.28    -0.08  -0.11  -0.16    -0.00  -0.00  -0.00
    79   1     0.01   0.06   0.06     0.02   0.04   0.08    -0.14   0.16   0.15
    80   1    -0.07   0.04   0.10    -0.06   0.03   0.05    -0.15   0.21   0.19
    81   1    -0.01   0.08   0.06    -0.02   0.05   0.07    -0.15   0.19   0.18
    82   1    -0.07  -0.01   0.08    -0.04   0.01   0.03    -0.06   0.10   0.07
    83   1    -0.08   0.05  -0.03     0.00   0.00  -0.04     0.07  -0.08  -0.06
    84   1     0.05   0.03  -0.00     0.02  -0.04  -0.00     0.12  -0.16  -0.15
    85   1    -0.04   0.01  -0.04     0.03  -0.01  -0.04     0.14  -0.18  -0.16
    86   1     0.11   0.04  -0.04     0.01  -0.04  -0.01     0.09  -0.15  -0.13
    87   1    -0.05   0.09  -0.09     0.01  -0.06   0.08     0.11   0.13  -0.17
    88   1     0.07   0.03  -0.13    -0.05  -0.04   0.08     0.12   0.18  -0.21
    89   1     0.00   0.10  -0.10    -0.02  -0.06   0.09     0.11   0.15  -0.20
    90   1     0.05  -0.02  -0.12    -0.03  -0.02   0.05     0.05   0.09  -0.08
    91   1     0.09   0.02   0.04     0.00   0.01  -0.03    -0.07  -0.07   0.07
    92   1    -0.05   0.01   0.02     0.02   0.03  -0.02    -0.10  -0.16   0.19
    93   1     0.04  -0.01   0.05     0.02   0.02  -0.05    -0.13  -0.16   0.20
    94   1    -0.07   0.03   0.05     0.01   0.04  -0.01    -0.08  -0.15   0.16
    95   1    -0.01  -0.05   0.10     0.07  -0.09   0.14    -0.01   0.02  -0.03
    96   1     0.09  -0.02   0.11     0.12  -0.09   0.18    -0.02   0.01  -0.03
    97   1     0.03  -0.07   0.10     0.09  -0.11   0.16    -0.02   0.02  -0.03
    98   1     0.08   0.02   0.09     0.07  -0.02   0.10    -0.01   0.00  -0.01
    99   1     0.03  -0.02  -0.08    -0.01   0.02  -0.08     0.01  -0.01   0.02
   100   1    -0.08   0.02  -0.06    -0.10   0.07  -0.12     0.02  -0.02   0.03
   101   1    -0.01   0.02  -0.10    -0.07   0.07  -0.15     0.02  -0.02   0.04
   102   1    -0.11  -0.01  -0.06    -0.11   0.04  -0.11     0.02  -0.01   0.03
   103   1     0.01  -0.01   0.02    -0.00   0.02  -0.01    -0.00   0.00  -0.00
   104   1     0.04   0.00  -0.04    -0.03  -0.01   0.02    -0.01  -0.00   0.01
   105   1    -0.04  -0.06   0.01     0.02   0.03  -0.01     0.00   0.01  -0.00
   106   1     0.01   0.01   0.03    -0.00   0.01  -0.01    -0.00   0.00  -0.00
   107   1     0.01   0.02   0.02    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00
   108   1    -0.02   0.02  -0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
   109   1     0.01  -0.01  -0.00    -0.01  -0.00   0.01    -0.00   0.00   0.00
   110   1     0.02   0.01   0.00    -0.06  -0.03  -0.01    -0.01  -0.00  -0.00
   111   1    -0.01  -0.01  -0.00     0.02   0.03   0.00     0.00   0.01   0.00
   112   1     0.01  -0.00  -0.00    -0.01   0.02   0.00    -0.00   0.00   0.00
   113  17     0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --    755.7816               756.1966               763.8086
 Red. masses --      1.5375                 1.5515                 3.4070
 Frc consts  --      0.5174                 0.5227                 1.1711
 IR Inten    --      1.7035                 2.1547                20.8517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.03   0.02   0.02
     2   6     0.01   0.00  -0.01    -0.00   0.00   0.02    -0.03   0.01  -0.01
     3   6     0.00   0.00   0.02    -0.00  -0.00  -0.03    -0.00   0.02   0.03
     4   6    -0.00  -0.01  -0.02    -0.00   0.00   0.04     0.03   0.01  -0.03
     5   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.01     0.06   0.03   0.00
     6   6    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.01  -0.03  -0.02
     7   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.02  -0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.00  -0.00   0.02     0.03  -0.01  -0.02
     9   6    -0.00   0.00   0.01     0.01  -0.00  -0.01     0.02  -0.01   0.01
    10   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.02   0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.04  -0.01  -0.02
    12   6     0.00  -0.00   0.01     0.00   0.00  -0.02    -0.04  -0.02   0.00
    13   6     0.00  -0.00  -0.01    -0.01   0.00   0.01     0.02   0.04  -0.00
    14   6    -0.00  -0.00   0.00    -0.00   0.01  -0.01     0.05  -0.03   0.02
    15   7    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.02  -0.01  -0.00
    16   6     0.01   0.01   0.03    -0.01  -0.01  -0.02    -0.00   0.01  -0.00
    17   6    -0.01  -0.01  -0.04     0.01   0.01   0.03    -0.01  -0.00  -0.00
    18   7    -0.00   0.01   0.01     0.00  -0.00  -0.01     0.00  -0.01   0.01
    19   6     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.01   0.03  -0.01
    20   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00   0.00   0.00
    21   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.00  -0.01   0.00
    22   6    -0.00   0.01   0.01    -0.00  -0.01  -0.00    -0.01  -0.01   0.01
    23   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.01
    24   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.03  -0.02
    25   7    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02   0.01  -0.02
    26   6    -0.01   0.02   0.02    -0.04   0.05   0.04    -0.08   0.02  -0.01
    27   6     0.01  -0.01  -0.00     0.01  -0.01  -0.02     0.01   0.03  -0.03
    28   6    -0.01   0.00   0.00    -0.01   0.02   0.01     0.01  -0.03   0.03
    29   6     0.01  -0.01  -0.02     0.03  -0.05  -0.04    -0.07  -0.03   0.02
    30   6    -0.02  -0.02   0.03    -0.03  -0.04   0.05    -0.05   0.02  -0.02
    31   6     0.01   0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.04  -0.02
    32   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01     0.02   0.02   0.03
    33   6     0.02   0.02  -0.03     0.03   0.03  -0.04    -0.04   0.05   0.02
    34   6    -0.05   0.04  -0.06     0.02  -0.02   0.02     0.02  -0.03   0.06
    35   6     0.02  -0.01   0.02    -0.01   0.00  -0.01    -0.01   0.02  -0.01
    36   6    -0.01   0.01  -0.03     0.00  -0.00   0.01    -0.00  -0.00  -0.02
    37   6     0.04  -0.05   0.07    -0.02   0.02  -0.03     0.02  -0.04   0.05
    38   6    -0.01   0.00   0.00     0.00   0.02   0.01     0.09   0.00   0.06
    39   6    -0.01   0.01   0.01    -0.02   0.03   0.02     0.08  -0.02   0.04
    40   6    -0.00   0.00   0.01    -0.01   0.01   0.01     0.01   0.05  -0.06
    41   6    -0.00   0.01   0.01    -0.02   0.02   0.02    -0.08  -0.08  -0.01
    42   6     0.01  -0.01  -0.00     0.02  -0.02  -0.02    -0.09  -0.03  -0.08
    43   6     0.00   0.00  -0.01     0.01  -0.01  -0.01     0.01  -0.05   0.04
    44   6     0.01  -0.01  -0.01     0.02  -0.03  -0.03     0.06   0.04  -0.03
    45   6    -0.00  -0.01  -0.00     0.01  -0.01  -0.01     0.10   0.07  -0.01
    46   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01     0.08  -0.02   0.02
    47   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.07  -0.01   0.02
    48   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.02  -0.04  -0.05
    49   6    -0.01  -0.01   0.02    -0.01  -0.02   0.03    -0.06   0.07   0.02
    50   6     0.00   0.01  -0.02     0.02   0.02  -0.03    -0.09   0.04  -0.02
    51   6     0.00   0.00  -0.01     0.00   0.01  -0.01     0.03   0.03   0.03
    52   6     0.01   0.02  -0.02     0.02   0.03  -0.03     0.02  -0.05  -0.02
    53   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.06  -0.08  -0.03
    54   6     0.00   0.01  -0.02    -0.00  -0.01   0.01     0.01   0.01  -0.02
    55   6    -0.03   0.03  -0.05     0.01  -0.01   0.02    -0.01   0.02  -0.04
    56   6    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.01   0.02  -0.00
    57   6    -0.04   0.01  -0.04     0.02  -0.00   0.02    -0.03   0.00  -0.02
    58   6     0.01  -0.02   0.04    -0.00   0.01  -0.02    -0.04   0.02  -0.01
    59   6     0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.00  -0.02
    60   6     0.03  -0.02   0.04    -0.01   0.01  -0.02    -0.01   0.03  -0.03
    61   6     0.03  -0.00   0.01    -0.02  -0.00  -0.01     0.01   0.02  -0.01
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    63  15    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.00
    64   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.00  -0.00
    65   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.02
    66   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    67   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.01  -0.01   0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    70   1     0.00  -0.01  -0.06     0.00   0.01   0.05    -0.03  -0.01  -0.05
    71   1    -0.00   0.00   0.03    -0.01  -0.01  -0.04     0.05   0.07   0.04
    72   1    -0.00  -0.00  -0.01     0.00   0.01   0.03    -0.01  -0.02   0.01
    73   1    -0.00  -0.01  -0.00     0.01   0.00   0.01    -0.03   0.00  -0.03
    74   1    -0.00  -0.01  -0.00    -0.01  -0.00   0.03     0.02   0.03   0.02
    75   1    -0.00  -0.00   0.02    -0.00   0.01  -0.02     0.03  -0.06   0.03
    76   1    -0.01  -0.02  -0.02     0.01   0.02   0.02    -0.03   0.03  -0.02
    77   1     0.01   0.01   0.01    -0.01  -0.00  -0.00    -0.01  -0.02   0.01
    78   1     0.01   0.02   0.03    -0.01  -0.02  -0.03    -0.00  -0.01   0.02
    79   1     0.04  -0.06  -0.06     0.13  -0.15  -0.13     0.03   0.10   0.10
    80   1     0.06  -0.07  -0.07     0.13  -0.19  -0.17    -0.09  -0.02   0.20
    81   1     0.05  -0.07  -0.06     0.13  -0.17  -0.15    -0.04   0.15   0.04
    82   1     0.03  -0.03  -0.03     0.05  -0.08  -0.07    -0.09  -0.08   0.13
    83   1    -0.01   0.02   0.03    -0.06   0.07   0.06    -0.13   0.12  -0.08
    84   1    -0.05   0.06   0.05    -0.12   0.16   0.15    -0.05   0.10   0.16
    85   1    -0.05   0.06   0.06    -0.14   0.18   0.16    -0.14   0.21  -0.01
    86   1    -0.04   0.05   0.05    -0.11   0.15   0.14     0.03   0.15   0.10
    87   1     0.05   0.07  -0.10     0.09   0.11  -0.15     0.06  -0.05   0.02
    88   1     0.06   0.09  -0.12     0.10   0.15  -0.19     0.02   0.07   0.11
    89   1     0.06   0.08  -0.11     0.10   0.13  -0.16    -0.01  -0.06  -0.02
    90   1     0.03   0.04  -0.05     0.04   0.07  -0.08     0.00   0.10   0.09
    91   1    -0.03  -0.04   0.04    -0.04  -0.06   0.07    -0.12  -0.05  -0.06
    92   1    -0.06  -0.08   0.10    -0.10  -0.14   0.17     0.04  -0.01   0.05
    93   1    -0.07  -0.09   0.11    -0.11  -0.15   0.19    -0.09  -0.06  -0.07
    94   1    -0.05  -0.08   0.09    -0.09  -0.12   0.16     0.06  -0.07  -0.02
    95   1     0.17  -0.14   0.22    -0.08   0.06  -0.09     0.11  -0.08   0.13
    96   1     0.18  -0.19   0.27    -0.08   0.09  -0.12     0.12  -0.14   0.17
    97   1     0.18  -0.16   0.25    -0.08   0.07  -0.11     0.12  -0.10   0.17
    98   1     0.07  -0.09   0.10    -0.03   0.04  -0.04     0.04  -0.08   0.06
    99   1    -0.09   0.08  -0.10     0.04  -0.04   0.04     0.03  -0.03   0.10
   100   1    -0.16   0.16  -0.25     0.07  -0.07   0.11     0.13  -0.12   0.17
   101   1    -0.19   0.18  -0.26     0.09  -0.08   0.11     0.12  -0.10   0.22
   102   1    -0.13   0.15  -0.22     0.05  -0.07   0.10     0.12  -0.08   0.14
   103   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
   104   1    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.03  -0.01   0.02
   105   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.03  -0.00
   106   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
   107   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
   108   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.02  -0.01   0.02
   109   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00   0.01
   110   1     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
   111   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.01   0.02   0.00
   112   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   113  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    121                    122                    123
                      A                      A                      A
 Frequencies --    764.1434               764.5068               765.3150
 Red. masses --      1.7386                 1.5757                 1.6086
 Frc consts  --      0.5981                 0.5426                 0.5551
 IR Inten    --     61.0443                58.1258                95.8147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.00   0.01     0.01  -0.00   0.01
     2   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00  -0.01
     5   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.00
     6   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
     7   6     0.00   0.01  -0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.01   0.00  -0.00
    12   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
    13   6    -0.01  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
    14   6    -0.02   0.01  -0.01     0.01  -0.00   0.00    -0.01   0.01  -0.00
    15   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6     0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   7     0.01  -0.01   0.00     0.01   0.02  -0.03     0.02   0.02  -0.03
    24   7     0.01   0.01   0.01    -0.02   0.02   0.02     0.03  -0.02  -0.02
    25   7    -0.02   0.02  -0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   6     0.02  -0.01   0.00     0.03  -0.05  -0.06    -0.03   0.05   0.06
    27   6    -0.00  -0.01   0.01    -0.01   0.02   0.01     0.01  -0.02  -0.00
    28   6    -0.00   0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.01  -0.01     0.03  -0.05  -0.04    -0.03   0.06   0.05
    30   6     0.02   0.00  -0.00    -0.04  -0.05   0.06    -0.02  -0.05   0.06
    31   6     0.00   0.01   0.01     0.01   0.01  -0.02     0.01   0.01  -0.01
    32   6    -0.01  -0.01  -0.01     0.01   0.01  -0.01     0.00   0.01  -0.02
    33   6     0.02  -0.01  -0.01    -0.03  -0.04   0.06    -0.02  -0.05   0.05
    34   6     0.06  -0.05   0.08     0.00  -0.00   0.01     0.00  -0.00   0.00
    35   6    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    36   6    -0.01   0.01  -0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    37   6     0.06  -0.05   0.08     0.00  -0.00   0.01     0.00  -0.00   0.01
    38   6    -0.03  -0.00  -0.02     0.00   0.01   0.01    -0.01  -0.01  -0.02
    39   6    -0.02   0.01  -0.01    -0.01   0.03   0.03     0.01  -0.03  -0.04
    40   6    -0.00  -0.01   0.02    -0.01   0.02  -0.00     0.01  -0.02   0.00
    41   6     0.03   0.02   0.00    -0.03   0.02   0.02     0.04  -0.01  -0.02
    42   6     0.03   0.01   0.02    -0.03   0.03   0.02     0.04  -0.02  -0.01
    43   6    -0.00   0.02  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.02
    44   6    -0.02  -0.01   0.01    -0.02   0.04   0.03     0.01  -0.04  -0.03
    45   6    -0.03  -0.02   0.00     0.01   0.02   0.01    -0.01  -0.02  -0.01
    46   6    -0.03   0.01  -0.01     0.01   0.00  -0.01    -0.01   0.01  -0.02
    47   6    -0.03  -0.00  -0.00     0.03   0.03  -0.03     0.01   0.03  -0.04
    48   6     0.01   0.01   0.02     0.00   0.00  -0.01     0.01   0.02   0.00
    49   6     0.02  -0.03  -0.00     0.01   0.03  -0.03     0.03   0.01  -0.03
    50   6     0.03  -0.02   0.01     0.01   0.03  -0.03     0.04   0.01  -0.02
    51   6    -0.01  -0.01  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.02
    52   6    -0.01   0.01   0.01     0.02   0.03  -0.04     0.01   0.04  -0.03
    53   6    -0.02   0.02   0.01     0.01   0.00  -0.01    -0.01   0.02  -0.00
    54   6    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    55   6    -0.04   0.03  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.01   0.01  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.02   0.03  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    58   6    -0.02   0.03  -0.04    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    59   6    -0.01   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6    -0.04   0.03  -0.05    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    61   6    -0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    63  15     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    64   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    65   8    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    70   1     0.01   0.00   0.01     0.00  -0.01  -0.01     0.01  -0.00  -0.01
    71   1    -0.01  -0.02  -0.01     0.00   0.01   0.01    -0.01  -0.01   0.00
    72   1     0.00   0.01  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    73   1     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    74   1    -0.01  -0.01  -0.01     0.01   0.00   0.01    -0.01  -0.00  -0.01
    75   1    -0.01   0.02  -0.01     0.00  -0.01   0.01    -0.01   0.01   0.00
    76   1    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    77   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    78   1     0.01   0.00  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    79   1    -0.01  -0.03  -0.03     0.10  -0.12  -0.11    -0.12   0.13   0.13
    80   1     0.03   0.00  -0.06     0.13  -0.18  -0.15    -0.14   0.21   0.16
    81   1     0.01  -0.05  -0.01     0.12  -0.15  -0.15    -0.13   0.17   0.17
    82   1     0.03   0.02  -0.04     0.04  -0.09  -0.05    -0.04   0.10   0.05
    83   1     0.04  -0.04   0.02     0.04  -0.06  -0.08    -0.04   0.06   0.10
    84   1     0.02  -0.03  -0.05     0.15  -0.18  -0.16    -0.15   0.18   0.16
    85   1     0.04  -0.06   0.00     0.15  -0.19  -0.20    -0.15   0.18   0.21
    86   1    -0.01  -0.05  -0.03     0.13  -0.14  -0.15    -0.13   0.14   0.14
    87   1    -0.01   0.04  -0.03    -0.08  -0.13   0.17    -0.11  -0.12   0.17
    88   1     0.01   0.00  -0.07    -0.11  -0.16   0.23    -0.13  -0.19   0.20
    89   1     0.02   0.04  -0.02    -0.10  -0.16   0.20    -0.11  -0.15   0.21
    90   1     0.01  -0.03  -0.04    -0.05  -0.06   0.09    -0.05  -0.09   0.07
    91   1     0.05   0.03   0.01    -0.06  -0.07   0.08    -0.02  -0.06   0.10
    92   1     0.00   0.03  -0.05    -0.12  -0.17   0.22    -0.12  -0.15   0.18
    93   1     0.05   0.05  -0.01    -0.14  -0.19   0.23    -0.10  -0.15   0.23
    94   1    -0.01   0.04  -0.02    -0.09  -0.15   0.18    -0.10  -0.11   0.16
    95   1     0.14  -0.14   0.22     0.01  -0.01   0.01     0.01  -0.01   0.02
    96   1     0.20  -0.18   0.30     0.01  -0.02   0.02     0.01  -0.01   0.02
    97   1     0.18  -0.18   0.27     0.01  -0.01   0.02     0.01  -0.01   0.02
    98   1     0.08  -0.07   0.12     0.00  -0.01   0.01     0.01  -0.00   0.01
    99   1     0.08  -0.08   0.11     0.00  -0.00   0.01     0.01  -0.01   0.01
   100   1     0.19  -0.18   0.28     0.02  -0.01   0.02     0.01  -0.01   0.02
   101   1     0.21  -0.21   0.30     0.01  -0.01   0.03     0.01  -0.02   0.02
   102   1     0.16  -0.15   0.24     0.01  -0.01   0.02     0.01  -0.01   0.02
   103   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   104   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   105   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   106   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   107   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
   108   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
   109   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   110   1     0.01   0.01   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
   111   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   112   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   113  17     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
                    124                    125                    126
                      A                      A                      A
 Frequencies --    771.3193               777.8025               787.7125
 Red. masses --      5.6601                 6.0896                 2.8213
 Frc consts  --      1.9840                 2.1706                 1.0314
 IR Inten    --      1.1914                26.8018                36.2688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.02     0.03  -0.03  -0.02     0.01  -0.01   0.00
     2   6     0.05  -0.02  -0.01     0.02  -0.07   0.01    -0.02  -0.01   0.00
     3   6     0.04  -0.02   0.03    -0.01  -0.10  -0.02    -0.01  -0.01   0.02
     4   6    -0.00   0.00  -0.03    -0.05   0.03   0.04    -0.00   0.01  -0.02
     5   6     0.02  -0.00   0.00     0.03   0.01  -0.01     0.02   0.03  -0.00
     6   6     0.01  -0.02  -0.01     0.05   0.03   0.01     0.01   0.02  -0.01
     7   6    -0.01  -0.00  -0.00     0.04  -0.08   0.00    -0.00  -0.02  -0.01
     8   6    -0.01   0.01  -0.01     0.03   0.03   0.01     0.01   0.00   0.01
     9   6     0.00   0.02   0.00    -0.03   0.09  -0.07     0.03  -0.02   0.02
    10   6    -0.05   0.02   0.01    -0.06   0.05   0.00     0.01  -0.01  -0.00
    11   6    -0.01  -0.00  -0.01     0.05  -0.06   0.01    -0.01  -0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.03  -0.01  -0.02    -0.02  -0.02   0.00
    13   6    -0.00  -0.01  -0.01    -0.05   0.04  -0.00    -0.01   0.02  -0.01
    14   6    -0.02   0.01   0.00    -0.07   0.07  -0.01    -0.01   0.02  -0.02
    15   7     0.02   0.01  -0.01    -0.04   0.11  -0.04     0.02  -0.05  -0.01
    16   6     0.04  -0.02   0.01    -0.03   0.01  -0.00    -0.01  -0.01  -0.03
    17   6    -0.04   0.03  -0.01     0.03  -0.03   0.02     0.00  -0.00   0.01
    18   7    -0.06   0.05  -0.00     0.01  -0.12   0.04     0.01  -0.00  -0.00
    19   6     0.01  -0.12   0.06    -0.00   0.05  -0.03    -0.00   0.04   0.03
    20   6    -0.02  -0.03   0.03     0.01   0.02  -0.02    -0.00   0.01   0.02
    21   6    -0.01   0.01  -0.00     0.03   0.00  -0.00    -0.00  -0.01  -0.02
    22   6    -0.02   0.04  -0.01     0.03  -0.02   0.00    -0.00  -0.01   0.00
    23   7    -0.02   0.02  -0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
    24   7     0.01   0.00   0.00     0.01   0.01  -0.00    -0.00  -0.01   0.00
    25   7     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.00  -0.01   0.00
    26   6     0.02   0.01   0.01     0.06   0.02   0.03     0.02   0.01   0.01
    27   6     0.01  -0.01   0.01     0.02  -0.02   0.04     0.01   0.00   0.02
    28   6    -0.00   0.01  -0.01     0.02   0.04  -0.03     0.01   0.01  -0.01
    29   6     0.02   0.01   0.00     0.06   0.04   0.01     0.01   0.01   0.01
    30   6    -0.06   0.03  -0.01    -0.09   0.05  -0.00    -0.00   0.01  -0.00
    31   6    -0.02  -0.02  -0.03    -0.06  -0.01  -0.05    -0.01  -0.00   0.00
    32   6     0.01   0.03   0.02     0.00   0.05   0.04    -0.00   0.01   0.00
    33   6    -0.04   0.04   0.02    -0.07   0.07   0.02    -0.01   0.00   0.00
    34   6     0.11   0.03  -0.07    -0.04  -0.02   0.03    -0.02   0.02  -0.03
    35   6     0.02  -0.06  -0.05    -0.02   0.02   0.02     0.04  -0.04   0.06
    36   6     0.00   0.08   0.04    -0.01  -0.04  -0.01    -0.04   0.03  -0.06
    37   6     0.11   0.07  -0.02    -0.05  -0.03   0.01     0.02  -0.02   0.03
    38   6    -0.02   0.00  -0.02    -0.04   0.02  -0.05    -0.01   0.01  -0.01
    39   6    -0.02   0.00  -0.02    -0.08   0.02  -0.08    -0.02   0.00  -0.03
    40   6    -0.00  -0.02   0.02    -0.02  -0.08   0.07    -0.01  -0.02   0.02
    41   6     0.03   0.01   0.00     0.08   0.04   0.02     0.02   0.01   0.00
    42   6     0.02   0.01   0.01     0.08   0.03   0.03     0.02   0.01   0.00
    43   6    -0.01   0.02  -0.02    -0.02   0.05  -0.08    -0.01   0.02  -0.03
    44   6    -0.02  -0.02   0.01    -0.07  -0.08   0.03    -0.02  -0.03   0.01
    45   6    -0.02  -0.02   0.01    -0.04  -0.06   0.03     0.00  -0.01   0.01
    46   6     0.07  -0.01   0.03     0.09   0.00   0.05     0.00   0.00   0.00
    47   6     0.08  -0.01   0.03     0.13  -0.01   0.06     0.01   0.00   0.00
    48   6    -0.02  -0.05  -0.05    -0.03  -0.09  -0.09    -0.00  -0.01  -0.01
    49   6    -0.06   0.06   0.02    -0.09   0.08   0.01    -0.01   0.00   0.00
    50   6    -0.07   0.04  -0.01    -0.10   0.07  -0.00    -0.01   0.01   0.00
    51   6     0.04   0.03   0.05     0.08   0.06   0.10     0.01   0.01   0.01
    52   6     0.03  -0.07  -0.04     0.05  -0.13  -0.07     0.00  -0.01  -0.01
    53   6     0.03  -0.06  -0.03     0.01  -0.08  -0.05    -0.00  -0.00  -0.00
    54   6    -0.13   0.03   0.10     0.04  -0.02  -0.04     0.00  -0.01   0.01
    55   6    -0.14   0.05   0.11     0.06  -0.02  -0.05    -0.00   0.01  -0.02
    56   6    -0.01  -0.14  -0.08     0.01   0.06   0.04     0.02  -0.01   0.03
    57   6     0.15   0.10  -0.04    -0.06  -0.03   0.02    -0.00   0.00   0.00
    58   6     0.16   0.04  -0.08    -0.06  -0.02   0.03    -0.00   0.00   0.01
    59   6    -0.04   0.12   0.11     0.02  -0.05  -0.05    -0.02   0.02  -0.03
    60   6    -0.11  -0.15  -0.02     0.05   0.07   0.01     0.01  -0.01   0.01
    61   6    -0.10  -0.13  -0.01     0.03   0.05   0.01    -0.00   0.01  -0.02
    62   8     0.00   0.00  -0.00     0.03   0.02  -0.01    -0.02  -0.01  -0.01
    63  15     0.01  -0.02   0.01     0.04  -0.08   0.01     0.02   0.09   0.10
    64   8    -0.01   0.00   0.00    -0.03   0.00   0.00    -0.08   0.01   0.03
    65   8    -0.00  -0.00   0.01    -0.02   0.01   0.07     0.02   0.01  -0.13
    66   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.01   0.01  -0.11
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02  -0.04  -0.04
    68   6    -0.01   0.01  -0.00    -0.04   0.05   0.00     0.07  -0.10  -0.01
    69   6     0.00   0.01  -0.00     0.01   0.03  -0.00    -0.01  -0.06  -0.00
    70   1     0.06  -0.06  -0.07     0.01  -0.03   0.05    -0.03   0.00  -0.04
    71   1     0.02  -0.00   0.05     0.08  -0.10  -0.06     0.02   0.02   0.01
    72   1     0.02  -0.02   0.01     0.02   0.03  -0.02    -0.03   0.02   0.00
    73   1    -0.02  -0.02  -0.00     0.10   0.00   0.00    -0.01  -0.02   0.01
    74   1     0.01  -0.01  -0.00     0.02   0.04  -0.00     0.00   0.00   0.06
    75   1    -0.02   0.02   0.01    -0.10   0.04  -0.03    -0.04  -0.01   0.07
    76   1    -0.01  -0.14   0.01     0.05   0.08   0.02    -0.09  -0.07  -0.21
    77   1     0.00  -0.01  -0.04     0.00   0.00   0.04    -0.05  -0.07  -0.12
    78   1    -0.01   0.05  -0.00     0.02  -0.03  -0.02    -0.00   0.01   0.03
    79   1    -0.02  -0.01  -0.01    -0.01  -0.03   0.00    -0.01  -0.00   0.01
    80   1     0.00   0.03  -0.03    -0.00   0.09  -0.14     0.00   0.02  -0.04
    81   1    -0.01  -0.01   0.02     0.02  -0.08   0.08     0.01  -0.03   0.02
    82   1     0.01   0.04  -0.02     0.03   0.11  -0.08     0.02   0.02  -0.03
    83   1     0.02  -0.02   0.03     0.06  -0.07   0.11     0.00  -0.01   0.04
    84   1    -0.00   0.02  -0.02    -0.01   0.07  -0.07    -0.00   0.04  -0.02
    85   1     0.01  -0.03   0.04     0.00  -0.10   0.13    -0.01  -0.02   0.05
    86   1    -0.01  -0.00  -0.00    -0.04   0.00  -0.01     0.01   0.02  -0.01
    87   1     0.04  -0.04   0.01     0.03  -0.04  -0.00    -0.01  -0.01   0.00
    88   1     0.04   0.08   0.11     0.09   0.12   0.17     0.01   0.01   0.01
    89   1    -0.02  -0.06  -0.04    -0.06  -0.09  -0.08    -0.01  -0.00  -0.01
    90   1     0.01   0.10   0.08     0.02   0.14   0.13     0.01   0.01   0.00
    91   1    -0.10  -0.04  -0.08    -0.13  -0.05  -0.13    -0.01  -0.01  -0.00
    92   1     0.04   0.03   0.06     0.07   0.09   0.09     0.00   0.01   0.01
    93   1    -0.08  -0.07  -0.09    -0.09  -0.11  -0.18    -0.01  -0.01  -0.01
    94   1     0.04  -0.03   0.00     0.04   0.00   0.01     0.00   0.01  -0.00
    95   1    -0.08  -0.06   0.07     0.02   0.02  -0.00     0.03  -0.03   0.06
    96   1     0.02   0.23   0.20     0.01  -0.10  -0.07    -0.02   0.02  -0.05
    97   1     0.00  -0.15  -0.06    -0.00   0.06   0.05    -0.05   0.06  -0.07
    98   1     0.07   0.25   0.11    -0.02  -0.10  -0.04    -0.08   0.07  -0.12
    99   1     0.12  -0.16  -0.19    -0.05   0.07   0.07     0.08  -0.08   0.13
   100   1    -0.05   0.13   0.09     0.02  -0.07  -0.03     0.06  -0.05   0.08
   101   1     0.04  -0.21  -0.22     0.00   0.08   0.09     0.03  -0.03   0.06
   102   1    -0.11  -0.02   0.02     0.03  -0.01   0.00    -0.02   0.04  -0.05
   103   1     0.00  -0.01   0.01     0.00  -0.03   0.03     0.02  -0.08   0.05
   104   1     0.02   0.00  -0.01     0.06   0.01  -0.04     0.16   0.07  -0.12
   105   1    -0.01  -0.02   0.00    -0.02  -0.05   0.01    -0.14  -0.28   0.04
   106   1     0.00  -0.00   0.01     0.00  -0.02   0.02     0.01  -0.06   0.10
   107   1     0.01   0.01   0.01     0.03   0.03   0.02     0.11   0.14   0.09
   108   1    -0.02   0.01  -0.01    -0.11   0.05  -0.10     0.30  -0.05   0.27
   109   1     0.00   0.00  -0.01     0.08  -0.01  -0.03    -0.25   0.03   0.09
   110   1     0.04   0.02   0.00     0.14   0.06  -0.01    -0.29  -0.10   0.04
   111   1    -0.01  -0.02  -0.00    -0.07  -0.09  -0.03     0.19   0.22   0.09
   112   1     0.01  -0.01  -0.00     0.08  -0.02  -0.02    -0.22   0.03   0.05
   113  17    -0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
                    127                    128                    129
                      A                      A                      A
 Frequencies --    788.5445               788.6831               789.2384
 Red. masses --      2.8383                 2.8140                 2.8274
 Frc consts  --      1.0398                 1.0313                 1.0377
 IR Inten    --      6.1291                 1.4074                 9.6954
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
     2   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.01
     3   6     0.00   0.00  -0.02    -0.00   0.00  -0.01     0.01   0.00  -0.01
     4   6     0.00  -0.00   0.01     0.00   0.00   0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01   0.00
     6   6    -0.00  -0.01   0.01    -0.00   0.00   0.01    -0.00  -0.01   0.01
     7   6    -0.00   0.01   0.01    -0.00  -0.00   0.01     0.01   0.01   0.01
     8   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.01   0.00  -0.01
     9   6    -0.01   0.01  -0.00    -0.00  -0.00   0.01    -0.02   0.02  -0.00
    10   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.02    -0.01   0.01   0.00
    11   6     0.01   0.01   0.00    -0.00   0.00   0.00     0.02   0.01  -0.00
    12   6     0.01   0.01   0.00    -0.00  -0.00   0.01     0.01   0.01   0.00
    13   6     0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.00  -0.01   0.00
    14   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   7    -0.01   0.02   0.01    -0.00  -0.01  -0.00    -0.02   0.01  -0.01
    16   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00  -0.00
    18   7    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   6     0.00  -0.02  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    21   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00   0.01  -0.00
    23   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   6    -0.00  -0.01  -0.01     0.05  -0.06  -0.06    -0.04   0.05   0.04
    27   6    -0.02   0.01   0.01    -0.08   0.11   0.11     0.06  -0.09  -0.09
    28   6     0.01  -0.02  -0.01     0.08  -0.11  -0.10    -0.07   0.08   0.09
    29   6    -0.01   0.00   0.01    -0.05   0.06   0.06     0.03  -0.05  -0.05
    30   6    -0.01  -0.01   0.02    -0.03  -0.04   0.05    -0.04  -0.05   0.07
    31   6     0.02   0.02  -0.03     0.05   0.08  -0.10     0.07   0.09  -0.12
    32   6    -0.02  -0.02   0.03    -0.05  -0.08   0.10    -0.07  -0.09   0.12
    33   6     0.01   0.01  -0.02     0.03   0.04  -0.05     0.04   0.05  -0.07
    34   6    -0.06   0.05  -0.08     0.01  -0.01   0.02     0.00  -0.00   0.01
    35   6     0.10  -0.10   0.15    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    36   6    -0.10   0.10  -0.15     0.02  -0.02   0.03     0.01  -0.01   0.01
    37   6     0.06  -0.06   0.08    -0.01   0.01  -0.02    -0.00   0.00  -0.01
    38   6     0.00  -0.00   0.01    -0.02   0.02   0.02     0.02  -0.02  -0.01
    39   6     0.01  -0.00   0.01     0.02  -0.02  -0.02    -0.00   0.01   0.02
    40   6    -0.00   0.01  -0.00    -0.04   0.05   0.05     0.03  -0.04  -0.05
    41   6    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
    42   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    43   6     0.01  -0.01   0.01     0.04  -0.05  -0.05    -0.03   0.04   0.05
    44   6     0.01   0.01  -0.00    -0.02   0.02   0.02     0.02  -0.01  -0.02
    45   6     0.00   0.00  -0.01     0.02  -0.03  -0.02    -0.01   0.03   0.02
    46   6     0.00   0.00  -0.01     0.02   0.01  -0.02     0.02   0.02  -0.03
    47   6    -0.01  -0.00   0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    48   6     0.01   0.01  -0.01     0.03   0.04  -0.04     0.03   0.05  -0.06
    49   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.01  -0.01   0.01    -0.03  -0.04   0.05    -0.03  -0.04   0.05
    52   6     0.00   0.01  -0.00     0.01   0.01  -0.02     0.01   0.02  -0.02
    53   6    -0.00  -0.00   0.01    -0.01  -0.02   0.02    -0.01  -0.02   0.03
    54   6     0.03  -0.02   0.03    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    55   6    -0.02   0.02  -0.03     0.00  -0.00   0.01     0.00  -0.00   0.00
    56   6     0.05  -0.05   0.07    -0.01   0.01  -0.01    -0.00   0.01  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    58   6     0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    59   6    -0.05   0.05  -0.07     0.01  -0.01   0.01     0.00  -0.00   0.00
    60   6     0.02  -0.02   0.03    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    61   6    -0.02   0.02  -0.04     0.00  -0.00   0.01     0.00  -0.00   0.00
    62   8     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    63  15    -0.01  -0.03  -0.03    -0.00   0.01   0.00     0.01  -0.00   0.02
    64   8     0.03  -0.00  -0.01    -0.00   0.00   0.00    -0.02   0.00   0.01
    65   8    -0.01  -0.00   0.05     0.00  -0.00  -0.01    -0.00   0.00  -0.01
    66   6    -0.00  -0.00   0.04     0.00   0.00  -0.00    -0.00   0.00  -0.02
    67   6     0.01   0.01   0.02    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    68   6    -0.03   0.04   0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    69   6     0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    70   1     0.02  -0.00   0.03     0.01   0.00   0.04     0.02   0.00   0.04
    71   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.05    -0.01  -0.02  -0.02
    72   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.04     0.01  -0.02  -0.04
    73   1     0.01   0.01  -0.02     0.01   0.01  -0.05     0.01   0.01   0.02
    74   1    -0.00  -0.00  -0.01    -0.01  -0.01   0.05    -0.00   0.00  -0.04
    75   1     0.01   0.00  -0.01    -0.01  -0.02   0.05     0.01   0.01  -0.01
    76   1     0.03   0.01   0.05    -0.01  -0.01  -0.02     0.01  -0.03  -0.03
    77   1     0.01   0.01   0.00     0.00  -0.00  -0.01     0.01   0.00  -0.02
    78   1     0.01   0.01   0.01     0.01   0.01   0.00     0.01   0.01  -0.01
    79   1    -0.01   0.02   0.01    -0.08   0.09   0.09     0.05  -0.06  -0.07
    80   1     0.01  -0.02   0.01     0.07  -0.09  -0.09    -0.07   0.08   0.10
    81   1     0.01  -0.01  -0.03     0.11  -0.16  -0.15    -0.10   0.15   0.12
    82   1     0.02  -0.04  -0.02     0.18  -0.24  -0.21    -0.15   0.18   0.18
    83   1    -0.03   0.04   0.01    -0.18   0.23   0.22     0.14  -0.19  -0.19
    84   1    -0.02   0.01   0.03    -0.13   0.16   0.15     0.10  -0.14  -0.11
    85   1    -0.01   0.02  -0.00    -0.08   0.11   0.10     0.07  -0.07  -0.10
    86   1     0.01  -0.02  -0.01     0.06  -0.08  -0.08    -0.05   0.07   0.07
    87   1     0.02   0.02  -0.03     0.05   0.07  -0.09     0.06   0.07  -0.10
    88   1    -0.02  -0.02   0.02    -0.05  -0.07   0.09    -0.06  -0.10   0.12
    89   1    -0.02  -0.03   0.04    -0.07  -0.11   0.14    -0.09  -0.14   0.18
    90   1    -0.04  -0.05   0.06    -0.13  -0.17   0.21    -0.15  -0.21   0.26
    91   1     0.04   0.05  -0.06     0.12   0.17  -0.21     0.15   0.21  -0.25
    92   1     0.02   0.03  -0.04     0.08   0.11  -0.14     0.10   0.13  -0.17
    93   1     0.02   0.02  -0.02     0.05   0.07  -0.09     0.06   0.09  -0.11
    94   1    -0.01  -0.02   0.03    -0.04  -0.07   0.08    -0.05  -0.08   0.10
    95   1     0.10  -0.08   0.13    -0.02   0.02  -0.03    -0.01   0.00  -0.01
    96   1    -0.09   0.09  -0.13     0.02  -0.02   0.03     0.01  -0.01   0.01
    97   1    -0.14   0.14  -0.22     0.03  -0.03   0.04     0.01  -0.01   0.02
    98   1    -0.22   0.22  -0.32     0.04  -0.04   0.06     0.02  -0.02   0.02
    99   1     0.22  -0.22   0.32    -0.04   0.04  -0.06    -0.02   0.02  -0.02
   100   1     0.15  -0.14   0.22    -0.03   0.03  -0.04    -0.01   0.01  -0.02
   101   1     0.10  -0.09   0.14    -0.02   0.02  -0.03    -0.01   0.01  -0.01
   102   1    -0.08   0.08  -0.13     0.02  -0.02   0.02     0.01  -0.01   0.01
   103   1    -0.01   0.03  -0.02     0.00  -0.01   0.00     0.00  -0.03   0.02
   104   1    -0.06  -0.03   0.04     0.01   0.00  -0.00     0.05   0.02  -0.03
   105   1     0.05   0.10  -0.01    -0.00  -0.01   0.00    -0.03  -0.06   0.01
   106   1    -0.00   0.02  -0.04    -0.00  -0.00   0.00    -0.00  -0.02   0.02
   107   1    -0.04  -0.05  -0.03     0.01   0.01   0.00     0.03   0.04   0.02
   108   1    -0.11   0.02  -0.10     0.02  -0.00   0.02     0.03  -0.00   0.03
   109   1     0.09  -0.01  -0.03    -0.01   0.00   0.00    -0.03   0.00   0.01
   110   1     0.10   0.04  -0.01    -0.02  -0.01   0.00    -0.02  -0.01   0.00
   111   1    -0.07  -0.08  -0.03     0.01   0.01   0.01     0.02   0.02   0.01
   112   1     0.08  -0.01  -0.02    -0.01   0.00   0.00    -0.02   0.00   0.01
   113  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    130                    131                    132
                      A                      A                      A
 Frequencies --    791.4819               800.9506               817.5719
 Red. masses --      4.7354                 3.4094                 1.1757
 Frc consts  --      1.7478                 1.2887                 0.4630
 IR Inten    --     35.9541                 5.2420                 1.2069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.02  -0.06     0.00  -0.00  -0.00
     2   6    -0.09  -0.01  -0.00     0.00  -0.01   0.01     0.01  -0.00  -0.00
     3   6    -0.04   0.00   0.07    -0.00  -0.01  -0.17     0.00  -0.00  -0.00
     4   6     0.02   0.02  -0.06     0.01   0.02   0.16    -0.01  -0.00   0.00
     5   6     0.08   0.11  -0.01     0.01   0.02  -0.01    -0.01  -0.01   0.00
     6   6     0.00   0.05  -0.02     0.01   0.02   0.07     0.00   0.00   0.00
     7   6    -0.06  -0.06  -0.02    -0.05  -0.02   0.18     0.00   0.00   0.00
     8   6     0.06  -0.00   0.01     0.05   0.03  -0.17    -0.01   0.00  -0.00
     9   6     0.15  -0.12   0.05    -0.02   0.01   0.11    -0.01   0.01   0.00
    10   6     0.06  -0.08  -0.00    -0.03  -0.08  -0.16    -0.01   0.01  -0.00
    11   6    -0.10  -0.06  -0.06     0.01  -0.01  -0.01     0.01   0.00   0.00
    12   6    -0.06  -0.05  -0.00    -0.02  -0.02   0.06     0.01   0.00   0.00
    13   6    -0.00   0.06  -0.00     0.02   0.02  -0.08     0.00  -0.01  -0.00
    14   6     0.01   0.02   0.01     0.00   0.00   0.02    -0.00   0.00  -0.00
    15   7     0.13  -0.11   0.05    -0.02  -0.07   0.01    -0.01   0.00  -0.00
    16   6     0.00   0.02  -0.01     0.01  -0.00   0.02    -0.00  -0.00   0.00
    17   6    -0.02  -0.02   0.01    -0.00   0.01  -0.04     0.00  -0.00  -0.00
    18   7     0.03   0.01   0.00    -0.00   0.05   0.04    -0.00   0.00   0.00
    19   6    -0.07   0.09  -0.04     0.01  -0.02   0.02     0.00  -0.01   0.00
    20   6    -0.06   0.02  -0.01     0.01  -0.00   0.02     0.00  -0.00  -0.00
    21   6     0.01  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
    22   6    -0.02  -0.06   0.03     0.02   0.03  -0.02     0.00   0.00  -0.00
    23   7    -0.00  -0.00   0.01    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
    24   7    -0.02  -0.01   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
    25   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   6     0.04   0.03   0.03     0.00   0.01   0.01    -0.00  -0.00  -0.00
    27   6     0.06  -0.03   0.02     0.02  -0.01  -0.01    -0.00  -0.00  -0.00
    28   6    -0.00   0.05   0.01    -0.02   0.01   0.01    -0.00  -0.00   0.00
    29   6     0.05   0.01  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    30   6    -0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    31   6     0.02   0.02  -0.03    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    32   6    -0.02  -0.02   0.04     0.01   0.01  -0.02    -0.00   0.00   0.00
    33   6     0.01   0.01  -0.02    -0.00  -0.00   0.01    -0.00   0.00   0.00
    34   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00   0.00
    36   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    38   6    -0.02   0.01  -0.04    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    39   6    -0.06   0.02  -0.05     0.00   0.00   0.00     0.00  -0.00   0.00
    40   6    -0.00  -0.06   0.04     0.01  -0.00  -0.01     0.00   0.00  -0.00
    41   6     0.05   0.03   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    42   6     0.04   0.03   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    43   6    -0.04   0.06  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   6    -0.06  -0.08   0.03    -0.01  -0.01   0.00     0.00   0.00  -0.00
    45   6     0.01  -0.02   0.04     0.01   0.01   0.01    -0.00   0.00  -0.00
    46   6     0.00   0.01  -0.01     0.01  -0.01   0.01     0.00   0.00   0.00
    47   6     0.00  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    48   6     0.01   0.01  -0.02    -0.00  -0.01   0.01    -0.00  -0.00  -0.00
    49   6    -0.00  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    51   6    -0.01  -0.01   0.01     0.02   0.01   0.01     0.00   0.00   0.00
    52   6     0.00   0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    53   6    -0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    54   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.01  -0.00    -0.00   0.01   0.00     0.00   0.00   0.00
    57   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    58   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    62   8    -0.03  -0.02   0.03    -0.01  -0.00   0.00     0.02   0.00  -0.01
    63  15    -0.08   0.05  -0.08    -0.01   0.01  -0.01     0.01  -0.01   0.01
    64   8     0.10  -0.01  -0.03     0.02   0.00  -0.00    -0.05   0.02   0.01
    65   8     0.02  -0.00   0.00     0.01  -0.01  -0.00    -0.01  -0.00   0.02
    66   6     0.00  -0.02   0.10    -0.01   0.00   0.01     0.06  -0.04  -0.01
    67   6     0.02   0.03   0.04    -0.00   0.01   0.01     0.03  -0.03  -0.00
    68   6     0.01  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.03
    69   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.01
    70   1    -0.13   0.03  -0.10     0.05  -0.01   0.33     0.01  -0.00   0.01
    71   1     0.07   0.15   0.05    -0.01  -0.02  -0.40    -0.00  -0.02  -0.01
    72   1    -0.12   0.07   0.01    -0.05  -0.01  -0.22     0.01  -0.00  -0.01
    73   1    -0.15  -0.09   0.03     0.13   0.06  -0.38     0.01   0.01  -0.01
    74   1     0.05   0.05   0.07    -0.04  -0.05   0.24    -0.01  -0.01   0.00
    75   1    -0.05  -0.07   0.02    -0.11  -0.12   0.39    -0.00   0.00   0.01
    76   1    -0.10   0.15   0.09    -0.01  -0.06  -0.07     0.01  -0.01   0.00
    77   1    -0.10  -0.03   0.12     0.01  -0.02  -0.07     0.01   0.00  -0.00
    78   1    -0.06  -0.06   0.05     0.06   0.05   0.01     0.01   0.00  -0.00
    79   1     0.02  -0.04  -0.02    -0.02   0.01  -0.01    -0.00   0.00  -0.00
    80   1    -0.02   0.08  -0.08    -0.02   0.04   0.03     0.00  -0.00   0.01
    81   1    -0.01  -0.02   0.08    -0.03   0.04   0.02    -0.00   0.00  -0.00
    82   1    -0.02   0.13  -0.02    -0.01   0.03   0.01    -0.00  -0.00   0.00
    83   1     0.06  -0.09   0.03     0.01  -0.03  -0.01    -0.00   0.00  -0.00
    84   1     0.04   0.06  -0.10     0.03  -0.01  -0.04    -0.00  -0.01   0.00
    85   1    -0.00  -0.11   0.07     0.02  -0.04  -0.02     0.00   0.00  -0.00
    86   1     0.02   0.07  -0.01     0.02   0.02  -0.01    -0.00  -0.01   0.00
    87   1     0.00   0.01  -0.02     0.01  -0.00   0.00    -0.00   0.00  -0.00
    88   1    -0.02  -0.04   0.05     0.02   0.03  -0.02     0.00   0.00   0.00
    89   1    -0.03  -0.05   0.06     0.02   0.02  -0.03    -0.00  -0.00  -0.00
    90   1    -0.04  -0.06   0.06     0.02   0.03  -0.01     0.00   0.00   0.00
    91   1     0.04   0.05  -0.06    -0.01  -0.02   0.01    -0.00  -0.00  -0.00
    92   1     0.03   0.04  -0.05    -0.02  -0.01   0.05     0.00   0.00   0.00
    93   1     0.02   0.03  -0.04    -0.02  -0.04   0.03    -0.00  -0.00  -0.00
    94   1    -0.01  -0.02   0.02    -0.01   0.02   0.02    -0.00   0.00   0.00
    95   1    -0.00   0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    96   1    -0.02   0.03  -0.01     0.01  -0.01   0.01     0.00  -0.00  -0.00
    97   1    -0.01  -0.00  -0.02     0.00  -0.00   0.01    -0.00   0.00   0.00
    98   1     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    99   1     0.01  -0.01  -0.01    -0.01   0.01  -0.00    -0.00   0.00   0.00
   100   1    -0.00   0.01   0.00    -0.00   0.01  -0.01    -0.00  -0.00  -0.00
   101   1     0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.00   0.00   0.00
   102   1    -0.00   0.00   0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.00
   103   1    -0.00   0.17  -0.12    -0.01  -0.03   0.00     0.11   0.43  -0.17
   104   1    -0.28  -0.10   0.15     0.01   0.01   0.01    -0.40  -0.19   0.06
   105   1     0.11   0.29  -0.05     0.03   0.03  -0.00    -0.19   0.02  -0.04
   106   1     0.01   0.14  -0.12    -0.01  -0.03  -0.01     0.10   0.46  -0.03
   107   1    -0.18  -0.18  -0.09     0.02   0.00  -0.01    -0.37  -0.23  -0.00
   108   1    -0.03  -0.02  -0.03     0.01  -0.00   0.01     0.12   0.06   0.10
   109   1     0.04  -0.00  -0.01    -0.02   0.00   0.00    -0.17  -0.02   0.03
   110   1    -0.02  -0.01  -0.01     0.00   0.01   0.01     0.01   0.03   0.06
   111   1    -0.02  -0.01  -0.01     0.01   0.01   0.01     0.11   0.08   0.08
   112   1     0.02   0.01  -0.01    -0.02  -0.01   0.00    -0.15  -0.06   0.04
   113  17    -0.01   0.00   0.00    -0.00   0.01   0.02     0.00  -0.00  -0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --    820.3331               832.0651               835.1840
 Red. masses --      1.2673                 1.6263                 6.3081
 Frc consts  --      0.5025                 0.6634                 2.5925
 IR Inten    --      1.6278                23.7486                62.9010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.11   0.09  -0.03
     2   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
     4   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.08   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.04  -0.04   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.14   0.04
     7   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.02
     8   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.06  -0.03   0.02
     9   6     0.00   0.00   0.01    -0.01  -0.02   0.01     0.06   0.19   0.03
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.05
    11   6    -0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.08  -0.03  -0.03
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.07  -0.04   0.01
    13   6    -0.00  -0.00  -0.01     0.00   0.01  -0.01    -0.01   0.01  -0.05
    14   6     0.00  -0.00  -0.01    -0.00   0.01  -0.01     0.06  -0.07  -0.03
    15   7     0.00   0.00  -0.00    -0.02  -0.03  -0.02     0.08   0.22  -0.21
    16   6    -0.01  -0.01  -0.03     0.02   0.03   0.09     0.03   0.10  -0.02
    17   6    -0.00   0.00   0.01     0.00  -0.00  -0.03    -0.04  -0.06   0.02
    18   7     0.00  -0.00  -0.00    -0.00   0.02   0.00     0.04  -0.14   0.08
    19   6     0.01   0.02   0.04    -0.03  -0.06  -0.10    -0.02   0.10  -0.06
    20   6     0.01   0.01   0.02    -0.02  -0.04  -0.07     0.00  -0.03  -0.02
    21   6    -0.01  -0.01  -0.02     0.01   0.02   0.06    -0.07  -0.01   0.04
    22   6    -0.00  -0.00   0.00     0.01   0.02  -0.00    -0.11  -0.10   0.06
    23   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.07   0.05   0.02
    24   7    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.04   0.00
    25   7     0.01  -0.01   0.00    -0.02   0.03  -0.00    -0.04   0.00   0.04
    26   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.01   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.03  -0.00   0.02
    28   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.01   0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.00   0.00
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.02   0.02
    32   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.04  -0.02
    33   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.01
    34   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00  -0.01
    35   6     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.02  -0.00  -0.01
    36   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.03   0.03  -0.01
    37   6    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01   0.01   0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.01
    39   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.03
    40   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.01
    41   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02   0.02   0.00
    42   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02   0.01  -0.01
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.04
    44   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.03  -0.03   0.02
    45   6     0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.01   0.03
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.04  -0.02
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00  -0.03
    48   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.05   0.05
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.02   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.03  -0.06
    52   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.07   0.04
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.06  -0.01   0.01
    54   6    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.04   0.04  -0.01
    55   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.02   0.04
    56   6    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.01  -0.06  -0.03
    57   6     0.00   0.00   0.00    -0.01  -0.00  -0.02     0.02  -0.01  -0.02
    58   6    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.02   0.01  -0.01
    59   6    -0.00   0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.02
    60   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.03  -0.00
    61   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.01  -0.01  -0.01
    62   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.03   0.00   0.01
    63  15     0.01   0.01   0.03     0.01   0.02   0.02     0.02  -0.07   0.05
    64   8    -0.03   0.01   0.01    -0.02   0.01   0.02    -0.02   0.01   0.01
    65   8     0.01   0.01  -0.06     0.00   0.01  -0.05    -0.01   0.01   0.01
    66   6     0.02  -0.01  -0.02     0.01  -0.00  -0.03     0.01   0.01  -0.02
    67   6     0.01  -0.02  -0.01    -0.00  -0.02  -0.02    -0.01  -0.02  -0.02
    68   6     0.00  -0.01   0.07     0.02  -0.02   0.03    -0.01  -0.00  -0.00
    69   6    -0.02  -0.01   0.04    -0.01  -0.02   0.02     0.00   0.01  -0.00
    70   1     0.00   0.00   0.00    -0.01   0.00  -0.00     0.05   0.01   0.01
    71   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.03   0.09  -0.14
    72   1     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.07  -0.17  -0.09
    73   1    -0.00  -0.00  -0.01     0.02   0.00  -0.00    -0.07  -0.02  -0.06
    74   1    -0.01  -0.01   0.03    -0.01  -0.01   0.07    -0.13  -0.06   0.26
    75   1    -0.01  -0.01   0.03    -0.02  -0.01   0.07    -0.06  -0.24   0.20
    76   1    -0.07  -0.10  -0.23     0.17   0.24   0.61    -0.09   0.17   0.11
    77   1    -0.03  -0.08  -0.17     0.11   0.24   0.52     0.02   0.02   0.16
    78   1    -0.01   0.01   0.02     0.03  -0.01  -0.06    -0.19  -0.07   0.16
    79   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.02
    80   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03  -0.02
    81   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.02
    82   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02   0.02  -0.03
    83   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.04
    84   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.05  -0.04
    85   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.06  -0.00
    86   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.04
    87   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.09   0.00   0.03
    88   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.00  -0.07
    89   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.05   0.03   0.05
    90   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.06  -0.02
    91   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.05   0.03   0.01
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.07  -0.06
    93   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.08
    94   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.02  -0.11  -0.03
    95   1    -0.00  -0.00   0.01     0.00   0.02  -0.05     0.07  -0.02  -0.06
    96   1     0.01  -0.01   0.01    -0.04   0.03  -0.04    -0.03   0.03   0.04
    97   1     0.00   0.00   0.01     0.00  -0.01  -0.03     0.04  -0.05  -0.06
    98   1    -0.00   0.00  -0.01     0.02  -0.02   0.04    -0.00   0.02   0.01
    99   1    -0.00   0.00   0.00     0.00   0.00  -0.01     0.02  -0.04  -0.02
   100   1     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.00   0.02   0.02
   101   1    -0.01   0.00  -0.00     0.01  -0.00   0.02    -0.01  -0.04  -0.02
   102   1     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.01   0.03   0.00
   103   1     0.04   0.15  -0.05     0.02   0.04  -0.01     0.02   0.02  -0.00
   104   1    -0.12  -0.06   0.01    -0.01   0.00  -0.01     0.02   0.01  -0.03
   105   1    -0.09  -0.04  -0.01    -0.07  -0.09   0.01    -0.07  -0.10   0.01
   106   1     0.04   0.16   0.00     0.02   0.05   0.03     0.01   0.02   0.03
   107   1    -0.12  -0.06   0.01    -0.02   0.01   0.03    -0.00   0.02   0.03
   108   1    -0.29  -0.15  -0.24    -0.07  -0.07  -0.06     0.03   0.03   0.03
   109   1     0.44   0.05  -0.08     0.16   0.03  -0.02    -0.05  -0.01   0.01
   110   1    -0.05  -0.10  -0.16    -0.10  -0.07  -0.07     0.03   0.02   0.02
   111   1    -0.29  -0.20  -0.21    -0.10  -0.04  -0.08     0.03   0.01   0.03
   112   1     0.40   0.17  -0.11     0.14   0.09  -0.04    -0.04  -0.02   0.01
   113  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    136                    137                    138
                      A                      A                      A
 Frequencies --    850.4268               858.5413               865.6334
 Red. masses --      1.5710                 2.0286                 1.3663
 Frc consts  --      0.6694                 0.8810                 0.6032
 IR Inten    --      4.3941                 1.0758                 0.4521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.03    -0.03   0.03   0.05     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.01   0.03  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.01     0.02   0.01  -0.02    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.02     0.03   0.02   0.08    -0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.04     0.02   0.00  -0.07    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.05    -0.02  -0.05  -0.08     0.00   0.00  -0.00
     7   6     0.02  -0.00  -0.02     0.00  -0.03   0.03    -0.00   0.00  -0.00
     8   6    -0.03  -0.02   0.07     0.04   0.00  -0.05    -0.00   0.00   0.00
     9   6    -0.02  -0.02  -0.04    -0.03   0.01   0.02     0.00   0.00   0.00
    10   6    -0.00   0.02   0.02    -0.02  -0.03  -0.05     0.00  -0.00  -0.00
    11   6     0.02  -0.01   0.01     0.01  -0.05  -0.00    -0.00   0.00   0.00
    12   6    -0.01  -0.01   0.05    -0.05  -0.02  -0.05     0.01   0.00   0.00
    13   6     0.03   0.04  -0.09    -0.01   0.04   0.05     0.00  -0.01  -0.00
    14   6     0.02   0.03  -0.07     0.02  -0.01   0.04    -0.00  -0.00  -0.00
    15   7    -0.03   0.01   0.02    -0.05  -0.02   0.01     0.01   0.00  -0.00
    16   6    -0.01  -0.02   0.00    -0.01  -0.01   0.01     0.00  -0.00  -0.01
    17   6     0.00   0.01   0.01    -0.00   0.02  -0.01     0.00   0.00   0.01
    18   7    -0.01   0.02  -0.02    -0.02   0.02   0.01     0.00  -0.00  -0.00
    19   6     0.01  -0.02   0.01     0.01  -0.03   0.00     0.00   0.01   0.01
    20   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    21   6     0.01   0.00  -0.01     0.01   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.01   0.01  -0.00     0.02   0.03  -0.01    -0.01  -0.01  -0.01
    23   7     0.01   0.02   0.00    -0.00   0.06   0.01     0.00  -0.00  -0.00
    24   7     0.01  -0.04   0.01    -0.05   0.00  -0.01     0.00   0.00   0.00
    25   7     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.01   0.01  -0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.00   0.00  -0.00
    27   6     0.02  -0.01  -0.01     0.00   0.01   0.02    -0.00  -0.00  -0.00
    28   6    -0.01  -0.00   0.00     0.02   0.01  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00  -0.00
    30   6    -0.00  -0.01   0.01    -0.01  -0.01   0.03    -0.00  -0.00   0.00
    31   6     0.01   0.00  -0.01     0.04   0.01  -0.01     0.00   0.00  -0.00
    32   6    -0.00  -0.00   0.01    -0.00  -0.01   0.00    -0.00   0.00   0.00
    33   6     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    34   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02   0.03
    35   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.02
    36   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.02
    37   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.03
    38   6    -0.02  -0.01  -0.00     0.03   0.02   0.00     0.00  -0.01  -0.00
    39   6     0.01  -0.00   0.01    -0.02   0.00  -0.02     0.00  -0.00  -0.00
    40   6     0.00   0.02  -0.02    -0.01  -0.03   0.03    -0.00   0.00   0.00
    41   6     0.00   0.01  -0.01     0.01  -0.00   0.01    -0.00   0.00   0.00
    42   6     0.01  -0.01  -0.03    -0.00   0.02   0.02    -0.00  -0.00   0.00
    43   6    -0.00   0.01  -0.02    -0.01   0.01  -0.01     0.00  -0.00   0.00
    44   6    -0.01   0.00   0.01    -0.01  -0.03  -0.00     0.00   0.00  -0.00
    45   6     0.01   0.02   0.02     0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    46   6    -0.01   0.01   0.00    -0.01  -0.00   0.01    -0.00   0.00   0.00
    47   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    48   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    49   6    -0.00  -0.01  -0.00     0.01  -0.01  -0.02    -0.00   0.00  -0.00
    50   6     0.00   0.01  -0.02     0.02   0.01  -0.04     0.00   0.00  -0.01
    51   6    -0.01  -0.01  -0.01    -0.03  -0.02  -0.04     0.00   0.00  -0.00
    52   6    -0.01   0.00   0.01    -0.02   0.01   0.03    -0.00  -0.00   0.00
    53   6     0.01  -0.01   0.01     0.03  -0.04   0.03    -0.00  -0.00   0.00
    54   6    -0.01  -0.01   0.00    -0.01  -0.00   0.00     0.03  -0.03   0.05
    55   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.02   0.04
    56   6     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.02  -0.03
    57   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.04   0.04  -0.06
    58   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04   0.03  -0.05
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.02  -0.03
    60   6     0.00   0.01   0.00     0.00   0.00   0.00     0.02  -0.02   0.03
    61   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.03   0.04
    62   8     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    63  15    -0.00  -0.00  -0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
    64   8     0.00  -0.01  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
    65   8     0.00  -0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    67   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    69   6     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    70   1    -0.00  -0.01  -0.04     0.03  -0.01   0.06    -0.00  -0.00   0.00
    71   1     0.01   0.03   0.26     0.02   0.12   0.38    -0.00  -0.00   0.01
    72   1     0.05   0.03   0.33     0.07   0.03   0.60     0.00   0.01   0.03
    73   1     0.03   0.01  -0.00     0.05   0.01  -0.04    -0.00   0.00  -0.02
    74   1    -0.13  -0.13   0.65     0.11   0.12  -0.30    -0.01  -0.01   0.00
    75   1    -0.13  -0.14   0.44     0.05   0.02  -0.21    -0.00   0.00   0.01
    76   1     0.03  -0.04  -0.03     0.04  -0.03   0.02    -0.02  -0.02  -0.06
    77   1     0.00  -0.00  -0.04     0.03   0.01  -0.01    -0.01  -0.01  -0.00
    78   1     0.01  -0.00  -0.04     0.05   0.02  -0.04     0.01   0.03   0.07
    79   1    -0.03  -0.00  -0.02     0.04   0.00   0.05    -0.02   0.02   0.02
    80   1    -0.00   0.01   0.02    -0.02   0.01  -0.03    -0.01   0.02   0.02
    81   1    -0.02   0.02  -0.02     0.02  -0.03   0.03     0.01  -0.01  -0.01
    82   1     0.01   0.01  -0.01     0.01   0.00  -0.02     0.02  -0.03  -0.02
    83   1    -0.07   0.08   0.07     0.08  -0.10  -0.07     0.00  -0.00  -0.00
    84   1     0.00   0.04  -0.01     0.02  -0.01  -0.04     0.00  -0.01   0.00
    85   1     0.05  -0.08  -0.06    -0.06   0.05   0.07     0.00   0.00  -0.00
    86   1     0.08  -0.04  -0.07    -0.03   0.09   0.06    -0.00  -0.00   0.00
    87   1    -0.01   0.00  -0.01     0.02   0.04  -0.05     0.00   0.01  -0.01
    88   1    -0.00  -0.01   0.01     0.00   0.02  -0.03     0.01   0.01  -0.01
    89   1    -0.01  -0.01  -0.00    -0.03  -0.02   0.02    -0.01  -0.01   0.01
    90   1     0.00  -0.01  -0.01    -0.03  -0.07   0.04    -0.01  -0.01   0.01
    91   1    -0.03  -0.04   0.06    -0.10  -0.13   0.17    -0.02  -0.02   0.03
    92   1    -0.00  -0.02  -0.01    -0.04  -0.09   0.01    -0.01  -0.01   0.01
    93   1     0.03   0.04  -0.04     0.07   0.12  -0.11     0.01   0.01  -0.02
    94   1     0.03   0.02  -0.05     0.10   0.04  -0.17     0.01   0.02  -0.02
    95   1    -0.01   0.00   0.02    -0.01   0.00   0.01    -0.18   0.17  -0.28
    96   1     0.01  -0.01  -0.00     0.01  -0.00  -0.00    -0.15   0.14  -0.22
    97   1    -0.01   0.01   0.01    -0.00   0.01   0.00     0.12  -0.11   0.17
    98   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.23  -0.23   0.34
    99   1    -0.01   0.01  -0.00    -0.00   0.01   0.00     0.21  -0.21   0.31
   100   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.11  -0.10   0.16
   101   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.13   0.13  -0.20
   102   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17   0.16  -0.26
   103   1    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
   104   1     0.00  -0.01  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
   105   1     0.02   0.03  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
   106   1    -0.00  -0.01  -0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
   107   1     0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00  -0.00  -0.00
   108   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   109   1    -0.02  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.02   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
   111   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   112   1    -0.02  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   113  17     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    139                    140                    141
                      A                      A                      A
 Frequencies --    866.2122               867.2800               867.9645
 Red. masses --      1.6384                 1.3984                 1.9890
 Frc consts  --      0.7243                 0.6197                 0.8829
 IR Inten    --      5.2117                 0.3040                12.9431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.01    -0.00  -0.00   0.00     0.04  -0.03   0.01
     2   6     0.01   0.02   0.01    -0.00  -0.00  -0.02    -0.00  -0.03   0.01
     3   6     0.01   0.01  -0.01     0.00   0.00   0.01    -0.01  -0.02  -0.02
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.00   0.04
     5   6     0.02   0.00   0.00     0.00   0.00   0.01    -0.03  -0.00  -0.02
     6   6    -0.01  -0.03   0.01     0.00  -0.00   0.01     0.00   0.04  -0.03
     7   6     0.01  -0.02   0.02     0.00  -0.00   0.01    -0.02   0.02   0.01
     8   6     0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.01   0.02  -0.02
     9   6    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.04   0.02   0.04
    10   6    -0.01   0.00   0.01     0.00   0.00   0.01     0.01  -0.01  -0.04
    11   6     0.02  -0.03  -0.02     0.01   0.00  -0.03    -0.02   0.04  -0.00
    12   6    -0.04  -0.02  -0.01    -0.00  -0.00   0.01     0.05   0.02   0.02
    13   6    -0.00   0.04   0.01     0.00   0.00   0.00    -0.00  -0.06  -0.00
    14   6     0.02  -0.00   0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.00
    15   7    -0.04  -0.01   0.02    -0.00  -0.00   0.00     0.06   0.01  -0.04
    16   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.02   0.02  -0.01
    17   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.01
    18   7    -0.02   0.02  -0.01    -0.00   0.00  -0.00     0.03  -0.03   0.02
    19   6     0.01  -0.03   0.01     0.00  -0.00   0.00    -0.02   0.04  -0.01
    20   6     0.02  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
    21   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    22   6     0.01   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.03   0.01
    23   7    -0.03   0.01   0.01     0.01   0.01  -0.01     0.03  -0.01  -0.01
    24   7    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.04   0.02  -0.00
    25   7     0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.01  -0.00   0.01
    26   6    -0.00  -0.00   0.01    -0.01   0.00   0.01    -0.01   0.01   0.00
    27   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.01  -0.01
    28   6     0.03  -0.02  -0.03     0.01  -0.02  -0.02    -0.00  -0.02  -0.01
    29   6    -0.02   0.03   0.02    -0.01   0.02   0.02    -0.01   0.01   0.02
    30   6     0.01   0.02  -0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
    31   6     0.00  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.04  -0.05
    32   6    -0.00  -0.02   0.01     0.02   0.03  -0.04    -0.03  -0.02   0.04
    33   6     0.01   0.01  -0.02    -0.02  -0.03   0.04     0.02   0.02  -0.02
    34   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00   0.00
    37   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6    -0.02   0.05   0.04    -0.03   0.03   0.03    -0.03   0.02   0.03
    39   6    -0.03   0.03   0.02    -0.01   0.02   0.02     0.00   0.02   0.03
    40   6     0.01  -0.03  -0.01     0.01  -0.01  -0.02     0.02  -0.00  -0.02
    41   6     0.04  -0.05  -0.05     0.03  -0.03  -0.03     0.01  -0.04  -0.03
    42   6     0.01  -0.00  -0.01     0.01  -0.01  -0.01     0.01  -0.03  -0.02
    43   6     0.00   0.00  -0.03     0.01  -0.01  -0.01     0.02  -0.03   0.01
    44   6    -0.02  -0.01   0.01    -0.01   0.01   0.01     0.01   0.03   0.00
    45   6     0.01   0.01   0.02    -0.00   0.01   0.01    -0.04   0.01   0.00
    46   6     0.02   0.01  -0.03    -0.03  -0.04   0.05     0.00   0.04  -0.02
    47   6    -0.00   0.02  -0.03    -0.02  -0.03   0.04     0.03   0.02  -0.01
    48   6    -0.01  -0.00   0.03     0.01   0.02  -0.02    -0.01  -0.02  -0.01
    49   6    -0.01  -0.03   0.04     0.03   0.05  -0.06    -0.03  -0.03   0.03
    50   6    -0.01  -0.03   0.03     0.01   0.01  -0.01     0.02   0.05  -0.05
    51   6    -0.02  -0.02   0.00     0.01   0.01  -0.01     0.02   0.02  -0.00
    52   6     0.01   0.03  -0.01    -0.01  -0.01   0.01    -0.01  -0.04   0.02
    53   6     0.03   0.02  -0.02    -0.01  -0.01   0.01    -0.04  -0.03   0.04
    54   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.01
    55   6     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01   0.00
    56   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    57   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    58   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
    59   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    60   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    61   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    62   8     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    64   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.01
    66   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   1     0.01   0.00  -0.03     0.02   0.01   0.13    -0.02  -0.00  -0.03
    71   1     0.01   0.03  -0.02    -0.00  -0.01  -0.08    -0.01  -0.03   0.09
    72   1     0.01  -0.04  -0.05    -0.01  -0.01  -0.11    -0.01   0.07   0.19
    73   1     0.01  -0.01   0.11    -0.04  -0.02   0.14    -0.04   0.00  -0.03
    74   1     0.04   0.05  -0.02     0.00   0.01  -0.01    -0.03  -0.04  -0.10
    75   1     0.01  -0.02  -0.05     0.00   0.00  -0.02     0.01   0.04  -0.03
    76   1     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.05   0.05   0.00
    77   1     0.02   0.01  -0.02     0.00   0.00  -0.00    -0.03  -0.01   0.03
    78   1     0.04   0.02  -0.03     0.00   0.00  -0.00    -0.05  -0.01   0.06
    79   1     0.20  -0.23  -0.21     0.12  -0.16  -0.16     0.10  -0.15  -0.17
    80   1     0.15  -0.20  -0.20     0.11  -0.14  -0.13     0.11  -0.13  -0.10
    81   1    -0.10   0.13   0.14    -0.07   0.10   0.09    -0.08   0.11   0.07
    82   1    -0.22   0.32   0.27    -0.15   0.21   0.18    -0.15   0.18   0.18
    83   1    -0.05   0.06   0.07    -0.07   0.09   0.07    -0.10   0.13   0.11
    84   1    -0.03   0.07   0.03    -0.04   0.06   0.05    -0.07   0.04   0.09
    85   1     0.01  -0.04  -0.02     0.03  -0.05  -0.04     0.07  -0.06  -0.08
    86   1     0.07  -0.04  -0.07     0.06  -0.07  -0.07     0.05  -0.14  -0.09
    87   1    -0.07  -0.13   0.19     0.15   0.22  -0.29    -0.11  -0.10   0.13
    88   1    -0.09  -0.11   0.13     0.14   0.19  -0.25    -0.07  -0.11   0.16
    89   1     0.06   0.09  -0.09    -0.09  -0.13   0.17     0.02   0.04  -0.08
    90   1     0.12   0.16  -0.21    -0.21  -0.30   0.36     0.11   0.17  -0.18
    91   1     0.12   0.15  -0.18    -0.05  -0.07   0.08    -0.17  -0.23   0.27
    92   1     0.05   0.06  -0.11    -0.04  -0.05   0.07    -0.06  -0.08   0.13
    93   1    -0.07  -0.08   0.13     0.02   0.03  -0.04     0.12   0.15  -0.21
    94   1    -0.08  -0.14   0.15     0.05   0.07  -0.09     0.11   0.20  -0.21
    95   1    -0.03   0.02  -0.03    -0.00   0.00  -0.00     0.04  -0.02   0.01
    96   1    -0.02   0.02  -0.03    -0.00   0.00  -0.00     0.01  -0.01   0.03
    97   1     0.01  -0.01   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.03
    98   1     0.03  -0.03   0.04     0.00  -0.00   0.00    -0.02   0.03  -0.03
    99   1     0.03  -0.02   0.04     0.00  -0.00   0.00     0.00  -0.01  -0.01
   100   1     0.02  -0.02   0.02     0.00  -0.00   0.00    -0.00   0.01   0.00
   101   1    -0.02   0.02  -0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
   102   1    -0.03   0.02  -0.04    -0.00   0.00  -0.00     0.01   0.01   0.00
   103   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   104   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.00
   105   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
   106   1     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   107   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   109   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
   110   1     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   111   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   112   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
   113  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    142                    143                    144
                      A                      A                      A
 Frequencies --    869.0039               872.1417               874.6057
 Red. masses --      1.5437                 1.5003                 1.8408
 Frc consts  --      0.6869                 0.6724                 0.8296
 IR Inten    --      0.0890                 0.3931                16.3031
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.01   0.01     0.04  -0.02   0.04
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.03  -0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01   0.01   0.07
     5   6     0.00   0.00   0.00     0.00   0.00  -0.01    -0.03  -0.00  -0.06
     6   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00   0.03  -0.06
     7   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.00  -0.02    -0.01   0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.03   0.02   0.03
    10   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.02  -0.05
    11   6     0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.02   0.03   0.00
    12   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.02     0.04   0.02   0.01
    13   6     0.00   0.00   0.00    -0.01   0.00   0.02    -0.00  -0.05  -0.01
    14   6     0.00   0.00  -0.00    -0.00  -0.00   0.03    -0.02  -0.00  -0.01
    15   7    -0.01  -0.00   0.00    -0.01  -0.01   0.00     0.05   0.01  -0.03
    16   6    -0.00   0.00   0.01    -0.00  -0.00   0.00     0.01   0.02  -0.01
    17   6     0.00   0.00   0.01    -0.00   0.00  -0.00     0.00  -0.02   0.00
    18   7     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.02   0.02
    19   6    -0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.01   0.03  -0.01
    20   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.00  -0.00
    21   6     0.00   0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    22   6    -0.00  -0.00  -0.02     0.00   0.01  -0.00    -0.02  -0.03   0.01
    23   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.04   0.00   0.01
    24   7    -0.00  -0.00   0.00    -0.01   0.00  -0.02     0.03   0.02   0.00
    25   7    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    26   6     0.00  -0.00  -0.00    -0.03   0.04   0.04     0.01  -0.00  -0.01
    27   6     0.00   0.00   0.00     0.04  -0.05  -0.04    -0.02   0.01  -0.00
    28   6     0.00   0.00   0.00    -0.02   0.04   0.03    -0.00  -0.02  -0.01
    29   6     0.00  -0.00  -0.00     0.01  -0.02  -0.02    -0.00   0.00   0.01
    30   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.02   0.03  -0.03
    31   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.03  -0.03   0.04
    32   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.04  -0.02
    33   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.02
    34   6     0.03  -0.03   0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6    -0.04   0.04  -0.06    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   6     0.04  -0.03   0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6    -0.03   0.03  -0.04     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6     0.00  -0.00  -0.00     0.03  -0.01  -0.02    -0.02  -0.00   0.01
    39   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.01   0.00   0.02
    40   6    -0.00   0.00   0.00    -0.00  -0.01   0.01     0.01   0.01  -0.01
    41   6    -0.00   0.00   0.00    -0.01   0.02   0.03    -0.00  -0.01  -0.01
    42   6    -0.00   0.00   0.00     0.06  -0.06  -0.05    -0.01   0.00   0.01
    43   6    -0.00   0.00  -0.00     0.02  -0.03  -0.02     0.00  -0.01   0.02
    44   6    -0.00  -0.00  -0.00    -0.03   0.03   0.03     0.02   0.01  -0.01
    45   6     0.00  -0.00  -0.00    -0.04   0.05   0.05    -0.01  -0.01  -0.02
    46   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03   0.01   0.02
    47   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.01   0.02
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.03
    49   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.03
    50   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.05  -0.04   0.05
    51   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.02  -0.03   0.03
    52   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.03   0.01  -0.04
    53   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.03   0.04  -0.05
    54   6    -0.03   0.03  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.00
    55   6    -0.02   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.00   0.00
    56   6     0.01  -0.02   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    57   6     0.04  -0.04   0.06    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    58   6    -0.04   0.04  -0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
    59   6    -0.01   0.01  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.03  -0.02   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6     0.03  -0.03   0.05    -0.00   0.00   0.00     0.00   0.00  -0.00
    62   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
    63  15     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    64   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    65   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.10
    71   1     0.00   0.00  -0.00     0.00   0.02   0.05     0.01   0.02   0.33
    72   1    -0.00   0.00  -0.01     0.01   0.00   0.06     0.03   0.09   0.45
    73   1     0.00   0.00   0.00     0.03   0.01  -0.07    -0.03   0.00  -0.04
    74   1     0.00   0.00   0.01     0.04   0.05  -0.16    -0.03  -0.04  -0.04
    75   1    -0.00  -0.00   0.00     0.04   0.04  -0.15    -0.00   0.03   0.03
    76   1     0.02   0.03   0.07     0.00  -0.00   0.00    -0.04   0.03  -0.01
    77   1     0.01   0.01   0.02     0.00   0.00   0.00    -0.03  -0.01   0.02
    78   1     0.03   0.04   0.07     0.01   0.00  -0.01    -0.04  -0.01   0.04
    79   1    -0.00   0.01   0.01    -0.04   0.07   0.09     0.01  -0.04  -0.06
    80   1    -0.00   0.00   0.00    -0.08   0.10   0.08     0.04  -0.04  -0.03
    81   1     0.00  -0.00  -0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
    82   1     0.01  -0.01  -0.01     0.09  -0.12  -0.10    -0.05   0.05   0.06
    83   1     0.00  -0.00  -0.00    -0.28   0.37   0.34     0.03  -0.04  -0.04
    84   1     0.00  -0.00  -0.00    -0.15   0.19   0.18     0.01  -0.04  -0.00
    85   1    -0.00   0.00   0.00     0.18  -0.25  -0.23    -0.01   0.04   0.02
    86   1    -0.00   0.01   0.00     0.22  -0.29  -0.29    -0.05   0.00   0.04
    87   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.02   0.05  -0.08
    88   1     0.00   0.00  -0.01     0.00   0.01  -0.01     0.06   0.06  -0.06
    89   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.03  -0.00
    90   1    -0.00  -0.01   0.01    -0.01  -0.01   0.01    -0.05  -0.06   0.08
    91   1     0.01   0.01  -0.01     0.04   0.06  -0.07     0.17   0.26  -0.32
    92   1     0.00   0.00  -0.00     0.02   0.03  -0.05     0.12   0.15  -0.20
    93   1    -0.00  -0.01   0.01    -0.03  -0.04   0.05    -0.11  -0.18   0.21
    94   1    -0.00  -0.01   0.01    -0.03  -0.06   0.06    -0.15  -0.21   0.28
    95   1     0.16  -0.15   0.23    -0.00  -0.00   0.00     0.01  -0.00  -0.01
    96   1     0.16  -0.15   0.23     0.00  -0.00   0.00    -0.00   0.00   0.01
    97   1    -0.09   0.08  -0.14    -0.00   0.00   0.00     0.00  -0.01  -0.01
    98   1    -0.21   0.21  -0.31    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    99   1     0.24  -0.23   0.34    -0.00   0.00   0.00     0.00  -0.00  -0.01
   100   1     0.10  -0.10   0.15    -0.00   0.00  -0.00    -0.00   0.00   0.00
   101   1    -0.17   0.16  -0.25     0.00   0.00   0.00    -0.00  -0.01   0.00
   102   1    -0.18   0.16  -0.26    -0.00  -0.00   0.00     0.01   0.00   0.00
   103   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   105   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
   106   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   107   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   109   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   110   1    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
   111   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   112   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   113  17     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    145                    146                    147
                      A                      A                      A
 Frequencies --    900.3862               902.1874               905.8836
 Red. masses --      4.5630                 1.5389                 1.8607
 Frc consts  --      2.1795                 0.7380                 0.8996
 IR Inten    --      6.8833                 4.1947                 0.5395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.02
     2   6     0.10   0.03   0.07    -0.01  -0.01  -0.07     0.00  -0.01  -0.13
     3   6     0.03   0.03  -0.05     0.00  -0.00  -0.01     0.02   0.00   0.07
     4   6    -0.03   0.03   0.02     0.00  -0.00   0.01    -0.00   0.00  -0.02
     5   6     0.02  -0.02  -0.02    -0.01   0.00   0.00    -0.01   0.00   0.03
     6   6    -0.01  -0.08   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.01
     7   6    -0.04   0.03   0.05     0.00  -0.00   0.04     0.00   0.01  -0.06
     8   6     0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     9   6     0.10   0.05   0.03    -0.01  -0.00   0.00     0.02   0.01   0.00
    10   6    -0.11   0.02  -0.02     0.01  -0.00  -0.00    -0.02   0.01   0.01
    11   6    -0.04   0.04  -0.09     0.04   0.02  -0.12    -0.05   0.00   0.06
    12   6     0.02   0.01   0.02    -0.00   0.00   0.03     0.00  -0.01  -0.02
    13   6    -0.01  -0.06  -0.01    -0.01   0.01   0.01     0.01  -0.03  -0.01
    14   6    -0.02  -0.02   0.01    -0.02  -0.00   0.01     0.00   0.01  -0.01
    15   7     0.12   0.02  -0.06    -0.01   0.00   0.00     0.03   0.01  -0.01
    16   6     0.03  -0.04   0.02    -0.00   0.00  -0.00     0.01  -0.01   0.00
    17   6    -0.05  -0.02  -0.00     0.00   0.00   0.00    -0.02  -0.02  -0.02
    18   7    -0.11   0.05   0.02     0.01  -0.00  -0.00    -0.02   0.01   0.01
    19   6    -0.04  -0.11   0.03     0.00   0.01  -0.00    -0.01  -0.02  -0.01
    20   6    -0.15   0.09  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
    21   6     0.16   0.06  -0.05    -0.01  -0.00   0.00     0.03   0.01  -0.02
    22   6     0.06  -0.08   0.05    -0.00   0.01  -0.00     0.02   0.00   0.06
    23   7    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.03   0.05   0.04
    24   7     0.02  -0.02   0.03     0.02  -0.05   0.04    -0.01   0.02  -0.01
    25   7     0.14   0.01  -0.10    -0.01  -0.00   0.01     0.03  -0.04  -0.04
    26   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    27   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   6    -0.01  -0.00   0.00    -0.02   0.00   0.01     0.01  -0.00  -0.00
    29   6     0.01  -0.00   0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    30   6     0.00  -0.01  -0.01    -0.00   0.00   0.01    -0.01   0.01   0.02
    31   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01  -0.00  -0.00
    32   6     0.01  -0.01  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    33   6    -0.02  -0.00  -0.01     0.01   0.00   0.00     0.02   0.00   0.01
    34   6     0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    35   6    -0.04   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    36   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.01  -0.01   0.01
    37   6     0.03  -0.02  -0.04    -0.00   0.00   0.00     0.01  -0.01  -0.02
    38   6    -0.02  -0.02  -0.01    -0.02  -0.04  -0.02     0.01   0.01   0.01
    39   6     0.01  -0.01   0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    40   6    -0.00   0.03  -0.02    -0.01   0.05  -0.02     0.00  -0.02   0.01
    41   6    -0.00   0.01  -0.01     0.00   0.02  -0.01    -0.00  -0.00   0.00
    42   6    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.00  -0.00   0.01
    43   6    -0.00   0.01  -0.01    -0.00   0.02  -0.03     0.00  -0.01   0.01
    44   6     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    45   6     0.01   0.00   0.01     0.03   0.01   0.02    -0.01  -0.00  -0.00
    46   6     0.03  -0.03  -0.00    -0.01   0.03  -0.01    -0.02   0.03  -0.01
    47   6    -0.02  -0.00  -0.01     0.01   0.00   0.00     0.01   0.00   0.00
    48   6     0.02   0.03   0.02    -0.02  -0.03  -0.00    -0.02  -0.04  -0.02
    49   6     0.01   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.02  -0.01
    50   6     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01
    51   6     0.01   0.01   0.02    -0.01  -0.01  -0.01    -0.02  -0.02  -0.03
    52   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.01
    53   6    -0.02   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.02   0.01
    54   6    -0.10  -0.06   0.03     0.01   0.00  -0.00    -0.04  -0.02   0.01
    55   6     0.06  -0.02  -0.05    -0.00   0.00   0.00     0.02  -0.01  -0.01
    56   6     0.01   0.10   0.06    -0.00  -0.01  -0.00     0.00   0.04   0.03
    57   6    -0.04   0.00   0.03     0.00  -0.00  -0.00    -0.00   0.01   0.01
    58   6    -0.05  -0.01   0.03     0.00   0.00  -0.00    -0.01   0.01   0.01
    59   6     0.01  -0.02  -0.03    -0.00   0.00   0.00    -0.01   0.02   0.01
    60   6     0.04   0.04   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    61   6    -0.04  -0.01   0.03     0.00   0.00  -0.00     0.02  -0.00   0.00
    62   8    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    64   8     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    65   8     0.00   0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   1     0.06  -0.08  -0.45     0.05   0.05   0.46     0.13   0.02   0.71
    71   1     0.01   0.01   0.08    -0.02   0.01  -0.04    -0.02  -0.00  -0.12
    72   1     0.03  -0.07   0.07    -0.02  -0.00  -0.01    -0.01  -0.03  -0.09
    73   1    -0.23  -0.10   0.36    -0.21  -0.09   0.75     0.08   0.07  -0.34
    74   1    -0.05  -0.04  -0.09    -0.01   0.02  -0.04     0.02  -0.04   0.03
    75   1     0.00  -0.01  -0.06     0.00   0.02  -0.08     0.00   0.01   0.05
    76   1     0.13  -0.05   0.16    -0.01   0.00  -0.01     0.05   0.02   0.09
    77   1    -0.22  -0.02   0.00     0.02   0.00   0.00    -0.06  -0.02  -0.06
    78   1    -0.07  -0.16  -0.11     0.00   0.01   0.01    -0.09  -0.19  -0.34
    79   1    -0.06   0.03  -0.00    -0.12   0.09   0.05     0.04  -0.03  -0.02
    80   1    -0.00   0.01   0.02    -0.02   0.02   0.04     0.00  -0.00  -0.01
    81   1     0.01  -0.02  -0.07     0.06  -0.08  -0.15    -0.02   0.03   0.05
    82   1     0.01  -0.01  -0.01     0.04  -0.03  -0.03    -0.01   0.01   0.00
    83   1    -0.01   0.01  -0.02    -0.01   0.02  -0.02     0.01  -0.01   0.01
    84   1     0.01   0.02  -0.01     0.02   0.05  -0.02    -0.00  -0.02   0.00
    85   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    86   1     0.01   0.01  -0.00     0.04   0.02  -0.01    -0.01  -0.00   0.01
    87   1     0.07   0.01  -0.01    -0.08  -0.05   0.07    -0.08  -0.04   0.06
    88   1    -0.01   0.01  -0.02    -0.01  -0.01   0.03    -0.00  -0.00   0.02
    89   1     0.03  -0.01   0.06     0.02   0.06  -0.12    -0.00   0.05  -0.11
    90   1    -0.01  -0.01   0.02     0.03   0.03  -0.04     0.03   0.01  -0.03
    91   1     0.02   0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.02  -0.01
    92   1    -0.00   0.03   0.02    -0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    93   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    94   1    -0.02   0.02   0.01     0.01  -0.01  -0.01     0.04  -0.03  -0.04
    95   1    -0.15   0.03   0.14     0.01  -0.00  -0.01    -0.06   0.01   0.05
    96   1     0.06  -0.02  -0.05    -0.00   0.00   0.00     0.01  -0.01  -0.02
    97   1    -0.05   0.10   0.09     0.00  -0.01  -0.01    -0.03   0.04   0.05
    98   1    -0.02  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01   0.01
    99   1    -0.03   0.02   0.06     0.00  -0.00  -0.00    -0.01   0.00   0.03
   100   1     0.03  -0.05   0.00    -0.00   0.00  -0.00     0.05  -0.00   0.06
   101   1     0.04   0.05  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.01
   102   1    -0.08  -0.07  -0.04     0.01   0.00   0.00    -0.01   0.04  -0.05
   103   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
   104   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   105   1    -0.01  -0.02   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
   106   1    -0.00  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
   107   1     0.01   0.01   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   109   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   110   1    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
   111   1    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   112   1     0.00   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   113  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    148                    149                    150
                      A                      A                      A
 Frequencies --    906.7316               932.8896               934.6158
 Red. masses --      1.8882                 2.1419                 1.5726
 Frc consts  --      0.9147                 1.0983                 0.8094
 IR Inten    --      6.6171                96.7542                45.2274
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.01
     2   6     0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01   0.00   0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    10   6    -0.02   0.00   0.01     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00   0.03    -0.01   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   7     0.02   0.01  -0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    16   6     0.01  -0.01  -0.00    -0.01  -0.00   0.01    -0.01  -0.00   0.00
    17   6     0.01   0.03   0.05     0.00   0.01   0.01     0.00   0.00  -0.00
    18   7    -0.03   0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.01  -0.04   0.04     0.00  -0.01  -0.03     0.00   0.00   0.01
    20   6    -0.03  -0.00  -0.01     0.01   0.01   0.03     0.00  -0.00  -0.00
    21   6     0.05   0.03   0.00    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    22   6    -0.01  -0.07  -0.11    -0.01  -0.00  -0.04     0.00   0.00  -0.00
    23   7     0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
    24   7    -0.01   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    25   7     0.03   0.11   0.02    -0.00  -0.04  -0.02    -0.00   0.01  -0.00
    26   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6     0.02   0.04   0.01    -0.01  -0.02  -0.00     0.00   0.00   0.00
    35   6    -0.02  -0.01   0.02     0.02  -0.01   0.01    -0.01   0.01  -0.02
    36   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.02     0.02  -0.01   0.02
    37   6    -0.01   0.00   0.01     0.00  -0.00  -0.01     0.01  -0.01   0.01
    38   6     0.00   0.01   0.00    -0.01  -0.00   0.00    -0.01   0.00   0.00
    39   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    40   6     0.00  -0.01   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    41   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    46   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    47   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    48   6    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
    49   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    50   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    51   6    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    52   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    53   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6     0.02   0.01  -0.01     0.02  -0.04   0.05    -0.05   0.05  -0.08
    55   6     0.01   0.00  -0.00    -0.01   0.01  -0.03     0.03  -0.03   0.04
    56   6     0.00  -0.03  -0.02    -0.02   0.04  -0.02     0.03  -0.03   0.05
    57   6    -0.02  -0.03  -0.01     0.02  -0.01   0.03    -0.03   0.03  -0.06
    58   6    -0.00  -0.02  -0.01    -0.02   0.02  -0.01     0.01  -0.01   0.01
    59   6     0.03  -0.07  -0.04     0.01   0.01   0.04    -0.01   0.00  -0.01
    60   6     0.02   0.03   0.00     0.01  -0.02   0.01    -0.01   0.01  -0.01
    61   6    -0.08  -0.01   0.02     0.00   0.03  -0.04     0.01  -0.01   0.02
    62   8    -0.00  -0.00   0.00     0.03   0.01  -0.01     0.02   0.01  -0.01
    63  15    -0.00   0.00   0.00     0.01  -0.05  -0.02     0.01  -0.03  -0.01
    64   8     0.00  -0.00  -0.00    -0.01  -0.01  -0.02    -0.01  -0.01  -0.02
    65   8     0.00  -0.01  -0.00    -0.03   0.16   0.03    -0.02   0.08   0.02
    66   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    67   6     0.00   0.00   0.00     0.01   0.02   0.02     0.01   0.02   0.01
    68   6    -0.00   0.00  -0.00     0.08   0.01   0.04     0.04   0.01   0.02
    69   6     0.00   0.01  -0.00    -0.07  -0.13   0.01    -0.04  -0.07   0.00
    70   1     0.07   0.00   0.30    -0.00   0.00   0.00     0.00   0.00   0.02
    71   1    -0.01   0.00  -0.05     0.00   0.00   0.00     0.00   0.00   0.01
    72   1    -0.01  -0.02  -0.03    -0.00   0.01   0.00     0.00   0.00   0.01
    73   1     0.03   0.03  -0.15    -0.00   0.00  -0.02    -0.00   0.00  -0.01
    74   1     0.01  -0.02   0.01    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    75   1     0.00   0.00   0.02     0.00   0.00  -0.01     0.00   0.00  -0.01
    76   1    -0.04  -0.10  -0.10     0.07   0.06   0.12    -0.01  -0.03  -0.07
    77   1    -0.03   0.02   0.13    -0.02  -0.07  -0.17     0.01   0.01   0.02
    78   1     0.17   0.34   0.74     0.05   0.09   0.16     0.01   0.01   0.01
    79   1     0.02  -0.01  -0.01     0.00  -0.01  -0.02     0.01  -0.02  -0.02
    80   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.01   0.01   0.01
    81   1    -0.01   0.01   0.02    -0.01   0.01   0.00    -0.01   0.02   0.01
    82   1    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.01  -0.01  -0.01
    83   1     0.00  -0.00   0.00    -0.01   0.01   0.00    -0.00   0.01   0.00
    84   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.01
    85   1    -0.00   0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
    86   1    -0.00   0.00   0.00    -0.01   0.01   0.01    -0.01   0.01   0.01
    87   1    -0.03  -0.02   0.03     0.00   0.00  -0.00    -0.00  -0.02   0.02
    88   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.01
    89   1     0.00   0.02  -0.05     0.00   0.00   0.00     0.02   0.02  -0.01
    90   1     0.01   0.00  -0.01     0.00   0.00   0.00    -0.01  -0.01   0.02
    91   1    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    92   1    -0.00  -0.02  -0.01     0.00   0.01  -0.00     0.00   0.01   0.00
    93   1     0.00   0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    94   1     0.02  -0.01  -0.02    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    95   1     0.02   0.00  -0.00    -0.18   0.15  -0.23     0.29  -0.27   0.41
    96   1     0.01   0.01  -0.00     0.09  -0.09   0.12    -0.16   0.15  -0.23
    97   1     0.02  -0.01  -0.05     0.11  -0.10   0.20    -0.19   0.19  -0.29
    98   1    -0.01  -0.04  -0.02    -0.11   0.13  -0.16     0.21  -0.21   0.30
    99   1    -0.01   0.01  -0.02     0.07  -0.06   0.12    -0.05   0.05  -0.07
   100   1    -0.09  -0.03  -0.14    -0.07   0.11  -0.11     0.04  -0.04   0.06
   101   1     0.02   0.02   0.02    -0.06   0.05  -0.10     0.05  -0.05   0.07
   102   1    -0.03  -0.14   0.08     0.14  -0.09   0.17    -0.08   0.07  -0.12
   103   1    -0.00  -0.00  -0.00    -0.02  -0.04  -0.01    -0.01  -0.02  -0.01
   104   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02
   105   1     0.00   0.01  -0.00     0.07   0.10  -0.01     0.05   0.08  -0.00
   106   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00  -0.00  -0.02
   107   1     0.00  -0.00  -0.00     0.01  -0.02  -0.03     0.00  -0.01  -0.02
   108   1    -0.01  -0.01   0.00     0.15   0.27  -0.04     0.08   0.15  -0.02
   109   1    -0.01  -0.00  -0.00     0.11   0.10   0.02     0.06   0.05   0.01
   110   1     0.02   0.01   0.00    -0.46  -0.23  -0.04    -0.24  -0.12  -0.02
   111   1    -0.00  -0.01   0.00     0.01   0.12  -0.04     0.01   0.06  -0.02
   112   1     0.00  -0.00   0.00    -0.09   0.08  -0.00    -0.05   0.04  -0.00
   113  17    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --    935.1082               935.2957               935.9447
 Red. masses --      1.7398                 1.6619                 2.1153
 Frc consts  --      0.8963                 0.8566                 1.0917
 IR Inten    --      3.3765                 8.1163                 6.9847
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.04    -0.00   0.00   0.03     0.00  -0.00  -0.01
     2   6    -0.01   0.00  -0.03    -0.00   0.00  -0.02    -0.00  -0.00   0.01
     3   6    -0.00   0.00   0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
     5   6     0.01  -0.00  -0.01     0.01  -0.00  -0.01    -0.01  -0.00   0.01
     6   6     0.01   0.01  -0.02     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
     8   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.04
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.01  -0.07
    13   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02   0.00   0.02
    14   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.00   0.01
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00  -0.00
    18   7     0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01   0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    20   6     0.00  -0.00   0.01     0.00   0.00  -0.01     0.00  -0.00  -0.00
    21   6    -0.00  -0.01  -0.03    -0.00   0.00   0.03    -0.00  -0.00   0.00
    22   6     0.01   0.01   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.00
    23   7    -0.04  -0.04  -0.06    -0.03  -0.03  -0.05     0.02   0.01   0.02
    24   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.09   0.11
    25   7     0.00   0.05   0.04    -0.01  -0.05  -0.03    -0.00  -0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.02
    27   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.01   0.01
    28   6     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.00  -0.02  -0.02
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.03   0.04
    30   6     0.00  -0.03  -0.02     0.00  -0.02  -0.01    -0.00   0.01   0.00
    31   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01    -0.00  -0.00   0.00
    32   6     0.00  -0.02   0.01     0.00  -0.01   0.01     0.00   0.01  -0.01
    33   6    -0.04  -0.01  -0.01    -0.03  -0.01  -0.01     0.01   0.00   0.00
    34   6     0.01   0.03  -0.00    -0.01  -0.03   0.01    -0.00  -0.00  -0.00
    35   6    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    37   6    -0.02   0.01   0.01     0.02  -0.01  -0.01    -0.00   0.00   0.00
    38   6    -0.02   0.02   0.02    -0.01   0.02   0.02    -0.11   0.02   0.05
    39   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.04  -0.04  -0.01
    40   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.04   0.02  -0.11
    41   6    -0.01   0.02   0.01    -0.01   0.02   0.01    -0.02   0.07   0.02
    42   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02  -0.02
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.08
    44   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02   0.01
    45   6     0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.06   0.03   0.04
    46   6     0.06   0.00  -0.06     0.05   0.01  -0.05    -0.02  -0.01   0.03
    47   6    -0.03  -0.02   0.02    -0.02  -0.02   0.02     0.01   0.01  -0.01
    48   6     0.00   0.01   0.08    -0.00   0.00   0.06     0.00   0.00  -0.03
    49   6     0.02   0.04  -0.02     0.02   0.04  -0.02    -0.01  -0.02   0.01
    50   6     0.02   0.01   0.01     0.01   0.01   0.01    -0.00   0.00  -0.01
    51   6     0.02   0.02   0.04     0.02   0.02   0.03    -0.01  -0.01  -0.01
    52   6     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.00  -0.00   0.00
    53   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.01  -0.00  -0.00
    54   6     0.04  -0.00   0.02    -0.03  -0.00  -0.01     0.00   0.00   0.00
    55   6    -0.01   0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    56   6    -0.01  -0.02  -0.04     0.01   0.01   0.03    -0.00  -0.00  -0.00
    57   6     0.01  -0.03   0.02    -0.01   0.02  -0.01     0.00  -0.00   0.00
    58   6     0.03  -0.03   0.03    -0.03   0.04  -0.03     0.00  -0.00   0.00
    59   6    -0.01  -0.01  -0.06     0.02   0.01   0.06    -0.00   0.00  -0.00
    60   6    -0.01   0.03  -0.02     0.02  -0.03   0.03    -0.00  -0.00  -0.00
    61   6     0.00  -0.04   0.06    -0.01   0.04  -0.07     0.00  -0.00   0.00
    62   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    63  15     0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.00   0.00  -0.00
    64   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.01
    65   8    -0.00   0.02   0.00     0.01  -0.03  -0.01     0.00  -0.01  -0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    68   6     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    69   6    -0.01  -0.01   0.00     0.01   0.03  -0.00     0.00   0.01  -0.00
    70   1     0.01   0.02   0.13     0.01   0.01   0.10    -0.01  -0.01  -0.05
    71   1     0.02  -0.01   0.06     0.02  -0.01   0.05    -0.01  -0.01  -0.02
    72   1     0.03   0.02   0.05     0.03   0.01   0.04    -0.00  -0.00  -0.01
    73   1     0.00   0.01  -0.00     0.00   0.00   0.01     0.06   0.05  -0.15
    74   1     0.00   0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.10
    75   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.02  -0.11
    76   1    -0.02  -0.02  -0.02     0.01   0.02   0.02    -0.00   0.00  -0.00
    77   1    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.00   0.00   0.00
    78   1    -0.01  -0.05  -0.10     0.01   0.04   0.08     0.00   0.00  -0.01
    79   1     0.08  -0.11  -0.10     0.08  -0.10  -0.10     0.18  -0.35  -0.38
    80   1    -0.05   0.06   0.06    -0.05   0.06   0.05    -0.15   0.17   0.20
    81   1    -0.06   0.08   0.07    -0.06   0.08   0.07    -0.24   0.30   0.13
    82   1     0.06  -0.09  -0.08     0.06  -0.08  -0.07     0.20  -0.23  -0.27
    83   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.02  -0.01  -0.08
    84   1     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.13  -0.02
    85   1     0.01  -0.01  -0.01     0.00  -0.01  -0.01    -0.02   0.01   0.04
    86   1    -0.00   0.02   0.01    -0.00   0.01   0.01     0.11   0.01  -0.05
    87   1    -0.10  -0.24   0.29    -0.10  -0.22   0.27     0.06   0.11  -0.15
    88   1     0.08   0.11  -0.17     0.07   0.10  -0.15    -0.04  -0.06   0.09
    89   1     0.16   0.18  -0.16     0.14   0.16  -0.15    -0.07  -0.08   0.08
    90   1    -0.11  -0.15   0.22    -0.10  -0.14   0.20     0.06   0.08  -0.11
    91   1     0.01  -0.00   0.04     0.01   0.00   0.03    -0.02  -0.02   0.01
    92   1     0.02   0.07   0.02     0.01   0.05   0.02     0.01  -0.00  -0.02
    93   1    -0.00  -0.00  -0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
    94   1    -0.04   0.02   0.03    -0.03   0.02   0.02    -0.01  -0.03   0.02
    95   1    -0.07   0.10  -0.17     0.05  -0.08   0.13    -0.00   0.00  -0.01
    96   1     0.06  -0.04   0.09    -0.05   0.03  -0.07     0.00  -0.00   0.01
    97   1     0.10  -0.10   0.08    -0.08   0.08  -0.06     0.00  -0.01   0.00
    98   1    -0.08   0.06  -0.13     0.07  -0.04   0.10    -0.00   0.00  -0.01
    99   1    -0.13   0.12  -0.21     0.16  -0.14   0.24    -0.00   0.00  -0.01
   100   1     0.12  -0.17   0.17    -0.14   0.19  -0.20     0.00  -0.00   0.01
   101   1     0.11  -0.09   0.16    -0.13   0.11  -0.19     0.00  -0.00   0.01
   102   1    -0.21   0.14  -0.27     0.25  -0.17   0.31    -0.00   0.01  -0.01
   103   1    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
   104   1    -0.00  -0.01  -0.01     0.01   0.01   0.01     0.00   0.01   0.01
   105   1     0.01   0.02  -0.00    -0.02  -0.03   0.00    -0.01  -0.02   0.00
   106   1    -0.00   0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
   107   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
   108   1     0.02   0.03  -0.00    -0.03  -0.06   0.01    -0.01  -0.01   0.00
   109   1     0.01   0.01   0.00    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
   110   1    -0.05  -0.02  -0.00     0.10   0.05   0.01     0.02   0.01   0.00
   111   1     0.00   0.01  -0.00    -0.00  -0.02   0.01    -0.00  -0.00   0.00
   112   1    -0.01   0.01  -0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    154                    155                    156
                      A                      A                      A
 Frequencies --    936.9356               937.6147               939.0148
 Red. masses --      1.4245                 1.4180                 2.0751
 Frc consts  --      0.7368                 0.7345                 1.0780
 IR Inten    --      0.7404                 0.7881                 2.3022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.02     0.00  -0.00  -0.01    -0.00   0.00   0.07
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01    -0.01   0.01  -0.06
     3   6     0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.01   0.02
     4   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
     5   6     0.01  -0.00   0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
     6   6     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.01   0.01  -0.02
     7   6     0.00   0.00  -0.01    -0.00  -0.00   0.01     0.01   0.01  -0.02
     8   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.01     0.01  -0.00  -0.02    -0.01   0.01   0.04
    12   6     0.00  -0.00  -0.01    -0.01  -0.00   0.02     0.01   0.00  -0.05
    13   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.01  -0.00   0.01
    14   6     0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00   0.01
    15   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    22   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   7    -0.02  -0.02  -0.03     0.01   0.01   0.02    -0.06  -0.06  -0.07
    24   7    -0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.06   0.06
    25   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    26   6    -0.00  -0.00   0.00    -0.00   0.02   0.01    -0.03  -0.02   0.02
    27   6     0.00  -0.00  -0.00    -0.02   0.02   0.02     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.01   0.00  -0.01     0.01   0.00   0.04
    30   6    -0.01  -0.02   0.01    -0.00   0.01   0.01     0.01  -0.03  -0.04
    31   6    -0.01  -0.01   0.02    -0.00  -0.01   0.00    -0.01   0.01  -0.00
    32   6     0.01   0.01  -0.02    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    33   6    -0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.04
    34   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    35   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6     0.01  -0.01  -0.01    -0.00   0.03   0.02    -0.01  -0.05  -0.04
    39   6    -0.00   0.01   0.01     0.01  -0.01  -0.02    -0.01   0.02   0.03
    40   6    -0.01   0.01   0.00     0.01  -0.02   0.01    -0.01   0.06  -0.01
    41   6     0.01  -0.01  -0.01    -0.01   0.01   0.02     0.02  -0.01  -0.04
    42   6    -0.01   0.01   0.00     0.04  -0.05  -0.04     0.01  -0.01  -0.04
    43   6     0.00  -0.00  -0.01    -0.03   0.03   0.05    -0.03   0.05  -0.02
    44   6     0.00  -0.01  -0.00    -0.03   0.04   0.04    -0.02   0.01   0.02
    45   6    -0.00   0.01   0.01     0.04  -0.07  -0.07     0.06  -0.02  -0.01
    46   6     0.01  -0.03   0.02    -0.01   0.01   0.01     0.03  -0.07   0.02
    47   6    -0.00   0.01  -0.02     0.01   0.00  -0.00    -0.01   0.02  -0.03
    48   6     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.03   0.06   0.03
    49   6    -0.00  -0.00   0.02    -0.00  -0.01  -0.00    -0.01  -0.00   0.04
    50   6     0.04   0.05  -0.05     0.00   0.01  -0.02     0.01  -0.01   0.04
    51   6    -0.01  -0.02   0.07    -0.01  -0.02   0.00     0.05   0.05   0.03
    52   6    -0.03  -0.04   0.05    -0.01  -0.01   0.01     0.01   0.00  -0.03
    53   6     0.03   0.07  -0.08     0.02   0.01  -0.02    -0.06   0.01   0.02
    54   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    55   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    56   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    57   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    58   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    59   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    64   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    65   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   1     0.02   0.01   0.13    -0.00  -0.00  -0.04     0.03   0.04   0.29
    71   1     0.01  -0.02  -0.05    -0.01   0.00  -0.03     0.03  -0.02   0.10
    72   1     0.01   0.01   0.01    -0.01  -0.01  -0.02     0.05   0.02   0.07
    73   1     0.01   0.02  -0.03    -0.03  -0.02   0.10     0.08   0.07  -0.20
    74   1     0.00  -0.00  -0.00    -0.00  -0.01   0.03     0.00   0.01  -0.05
    75   1     0.00  -0.00   0.00     0.02   0.02  -0.05     0.02   0.02  -0.08
    76   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.01
    77   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    78   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.05
    79   1    -0.06   0.07   0.06     0.11  -0.11  -0.09    -0.18   0.17   0.14
    80   1     0.03  -0.04  -0.04    -0.06   0.08   0.07     0.09  -0.12  -0.10
    81   1     0.03  -0.04  -0.05    -0.03   0.05   0.07     0.07  -0.10  -0.17
    82   1    -0.04   0.06   0.04     0.06  -0.09  -0.06    -0.11   0.19   0.11
    83   1     0.03  -0.03  -0.03    -0.21   0.28   0.26    -0.11   0.17   0.10
    84   1    -0.02   0.04   0.02     0.17  -0.26  -0.20     0.11  -0.06  -0.15
    85   1    -0.02   0.03   0.03     0.18  -0.24  -0.23     0.09  -0.13  -0.10
    86   1     0.04  -0.04  -0.05    -0.30   0.37   0.36    -0.08   0.22   0.16
    87   1     0.08   0.06  -0.08    -0.01   0.02  -0.03     0.18   0.11  -0.15
    88   1    -0.04  -0.05   0.06    -0.01  -0.01   0.02    -0.08  -0.10   0.10
    89   1     0.00  -0.02   0.06    -0.02  -0.01  -0.00     0.01  -0.07   0.17
    90   1     0.04   0.06  -0.04     0.00   0.00  -0.02     0.11   0.15  -0.10
    91   1    -0.18  -0.26   0.32    -0.05  -0.07   0.06     0.11   0.13  -0.09
    92   1     0.16   0.25  -0.26     0.03   0.03  -0.07    -0.06  -0.02   0.16
    93   1     0.14   0.21  -0.28     0.04   0.05  -0.06    -0.07  -0.09   0.09
    94   1    -0.25  -0.33   0.44    -0.04  -0.09   0.09     0.05   0.18  -0.14
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.00
    96   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    97   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    98   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    99   1     0.01  -0.01   0.01    -0.00   0.00  -0.01     0.02  -0.02   0.02
   100   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.02
   101   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.02   0.02  -0.02
   102   1     0.01  -0.01   0.01    -0.01   0.00  -0.01     0.02  -0.03   0.04
   103   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   104   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
   105   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.01  -0.02   0.00
   106   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   107   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   108   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
   109   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.01   0.00   0.00     0.01   0.00   0.00     0.01   0.01   0.00
   111   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   112   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    157                    158                    159
                      A                      A                      A
 Frequencies --    940.4986               940.8945               955.3943
 Red. masses --      2.1779                 1.9792                 1.7094
 Frc consts  --      1.1350                 1.0324                 0.9193
 IR Inten    --     10.5557                 8.1837                56.2085
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00   0.05    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.02    -0.01   0.00  -0.05     0.01   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.00  -0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01     0.01   0.00   0.00
     9   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01   0.00
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.01
    11   6    -0.00   0.00   0.03     0.01  -0.00  -0.05    -0.01   0.00  -0.00
    12   6     0.01   0.00  -0.03    -0.02  -0.01   0.05     0.01   0.00  -0.00
    13   6    -0.01   0.00   0.01     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00  -0.01
    15   7    -0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    17   6     0.01   0.01   0.03     0.00   0.00   0.01    -0.00  -0.01  -0.01
    18   7     0.00  -0.01  -0.01     0.00  -0.00  -0.01    -0.00  -0.00   0.01
    19   6     0.00   0.01  -0.03     0.00   0.00  -0.01     0.02   0.03   0.07
    20   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.02  -0.04  -0.10
    21   6     0.01   0.02   0.08     0.00   0.01   0.03     0.01   0.01   0.03
    22   6    -0.03  -0.03  -0.09    -0.01  -0.01  -0.04     0.00   0.01   0.01
    23   7     0.01   0.01   0.01    -0.04  -0.04  -0.05    -0.01   0.00   0.00
    24   7     0.00  -0.03   0.03    -0.01   0.06  -0.07     0.01  -0.00   0.01
    25   7    -0.00  -0.12  -0.07    -0.00  -0.05  -0.03     0.00  -0.03  -0.02
    26   6    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.00   0.00   0.00
    27   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.01  -0.00   0.02    -0.02   0.00  -0.04     0.00  -0.00   0.00
    30   6    -0.00   0.00   0.01     0.01  -0.02  -0.02    -0.00   0.00   0.00
    31   6     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    32   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00  -0.00
    33   6     0.01  -0.00   0.01    -0.03   0.01  -0.03    -0.00   0.00  -0.00
    34   6    -0.04  -0.05  -0.03    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00
    35   6     0.01   0.01  -0.02     0.00   0.00  -0.01     0.00   0.00   0.00
    36   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   6     0.03  -0.02  -0.04     0.01  -0.01  -0.02     0.01  -0.01  -0.02
    38   6    -0.01  -0.03  -0.02     0.02   0.06   0.04    -0.01  -0.00  -0.00
    39   6    -0.00   0.01   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.00
    40   6    -0.01   0.03  -0.01     0.01  -0.06   0.02     0.00   0.00  -0.00
    41   6     0.01  -0.01  -0.02    -0.02   0.01   0.04    -0.00  -0.00  -0.00
    42   6     0.00  -0.00  -0.02     0.00   0.00   0.03    -0.00  -0.00  -0.00
    43   6    -0.01   0.02  -0.02     0.02  -0.04   0.03     0.00  -0.00  -0.00
    44   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
    45   6     0.03   0.00   0.00    -0.05  -0.00  -0.01     0.00  -0.00  -0.00
    46   6     0.00   0.02  -0.02     0.01  -0.07   0.04     0.00  -0.00  -0.00
    47   6    -0.00  -0.01   0.02    -0.00   0.02  -0.04    -0.00   0.00  -0.00
    48   6    -0.01  -0.02   0.00     0.03   0.05   0.01     0.00   0.00   0.00
    49   6     0.01   0.01  -0.02    -0.01  -0.02   0.05     0.00  -0.00  -0.00
    50   6    -0.00   0.00  -0.01     0.01  -0.00   0.02     0.00  -0.00   0.00
    51   6    -0.01  -0.01  -0.00     0.03   0.03   0.02    -0.00  -0.00  -0.00
    52   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    53   6     0.01  -0.00  -0.00    -0.04   0.01   0.01     0.00  -0.00   0.00
    54   6    -0.05  -0.03   0.01    -0.02  -0.01   0.01    -0.01  -0.02   0.02
    55   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.01  -0.02
    56   6    -0.00   0.07   0.04    -0.00   0.03   0.02     0.00   0.02   0.02
    57   6     0.02   0.03   0.02     0.01   0.01   0.01     0.01   0.00   0.01
    58   6     0.02   0.00   0.05     0.01   0.00   0.02    -0.00   0.00   0.01
    59   6    -0.04   0.08   0.04    -0.01   0.03   0.02    -0.01   0.02   0.01
    60   6    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01    -0.00  -0.01   0.00
    61   6     0.10  -0.01   0.01     0.04  -0.00   0.00     0.02   0.01  -0.01
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.01
    63  15    -0.00   0.01  -0.00    -0.00   0.00   0.00     0.02   0.01   0.04
    64   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.06  -0.04  -0.09
    65   8     0.00  -0.02  -0.01     0.00  -0.01  -0.00     0.01  -0.00  -0.00
    66   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.04  -0.04   0.02
    67   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.04   0.07   0.05
    68   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    69   6     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    70   1    -0.01  -0.01  -0.09     0.04   0.04   0.29     0.01  -0.01   0.00
    71   1    -0.01  -0.01  -0.01     0.02  -0.00   0.06     0.01  -0.01  -0.01
    72   1     0.00  -0.00  -0.00     0.03   0.01   0.05     0.01  -0.01   0.01
    73   1     0.05   0.03  -0.13    -0.08  -0.05   0.26    -0.01  -0.00  -0.01
    74   1    -0.01   0.01  -0.02     0.01  -0.02   0.07     0.01   0.01  -0.07
    75   1     0.00   0.01  -0.04    -0.00  -0.01   0.07    -0.02  -0.01   0.05
    76   1     0.06   0.07   0.11     0.03   0.03   0.04    -0.13  -0.19  -0.44
    77   1     0.01   0.01  -0.04     0.00   0.01  -0.02     0.15   0.30   0.61
    78   1     0.09   0.26   0.51     0.03   0.10   0.21    -0.01  -0.02  -0.05
    79   1    -0.11   0.10   0.07     0.20  -0.18  -0.13    -0.01   0.00  -0.01
    80   1     0.05  -0.07  -0.06    -0.10   0.14   0.10     0.00  -0.00   0.00
    81   1     0.03  -0.04  -0.08    -0.05   0.08   0.16    -0.00   0.00  -0.01
    82   1    -0.06   0.10   0.06     0.12  -0.19  -0.10    -0.00   0.00   0.00
    83   1    -0.03   0.05   0.02     0.06  -0.09  -0.03    -0.01   0.01   0.00
    84   1     0.03   0.00  -0.05    -0.06  -0.00   0.09    -0.00   0.00   0.00
    85   1     0.02  -0.03  -0.02    -0.04   0.06   0.03     0.01  -0.01  -0.01
    86   1    -0.00   0.06   0.04     0.01  -0.11  -0.07    -0.01   0.01   0.01
    87   1    -0.08  -0.08   0.11     0.21   0.18  -0.24     0.01  -0.00   0.00
    88   1     0.05   0.06  -0.07    -0.11  -0.14   0.17    -0.00   0.00   0.00
    89   1     0.02   0.04  -0.07    -0.03  -0.09   0.18     0.00   0.00   0.00
    90   1    -0.05  -0.07   0.07     0.14   0.19  -0.16     0.00  -0.00  -0.00
    91   1    -0.02  -0.02   0.01     0.06   0.06  -0.04     0.00  -0.00   0.00
    92   1     0.01   0.00  -0.02    -0.03   0.00   0.09    -0.00  -0.00  -0.00
    93   1     0.01   0.01  -0.01    -0.03  -0.04   0.03    -0.00   0.00   0.00
    94   1    -0.00  -0.02   0.02     0.01   0.08  -0.05     0.00  -0.01  -0.00
    95   1    -0.07  -0.00   0.03    -0.03  -0.00   0.01    -0.08   0.06  -0.07
    96   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.07  -0.07   0.10
    97   1    -0.03   0.04   0.09    -0.01   0.02   0.04    -0.04   0.04  -0.01
    98   1    -0.00   0.06   0.01    -0.00   0.03   0.01    -0.03   0.05  -0.02
    99   1    -0.15   0.19  -0.16    -0.05   0.07  -0.06    -0.00   0.01   0.01
   100   1     0.12   0.02   0.18     0.04   0.01   0.07     0.02   0.02   0.03
   101   1     0.12  -0.15   0.18     0.05  -0.06   0.07    -0.01   0.00  -0.02
   102   1    -0.09   0.25  -0.27    -0.03   0.10  -0.10     0.03   0.01   0.01
   103   1     0.01   0.01   0.00     0.00   0.00   0.00    -0.06  -0.08  -0.02
   104   1     0.01   0.02   0.01     0.00   0.00   0.00    -0.06  -0.16  -0.12
   105   1    -0.03  -0.05   0.00    -0.00  -0.01   0.00     0.16   0.27  -0.02
   106   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
   107   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.01  -0.04  -0.06
   108   1    -0.02  -0.04   0.01    -0.01  -0.02   0.00     0.00  -0.01   0.01
   109   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
   110   1     0.06   0.03   0.00     0.03   0.01   0.00    -0.01  -0.01  -0.00
   111   1    -0.00  -0.02   0.01    -0.00  -0.01   0.00    -0.00   0.00  -0.00
   112   1     0.01  -0.01   0.00     0.01  -0.00   0.00     0.00   0.01  -0.00
   113  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    160                    161                    162
                      A                      A                      A
 Frequencies --    960.4193               963.5945               973.5268
 Red. masses --      6.3083                 2.0994                 1.2440
 Frc consts  --      3.4284                 1.1485                 0.6946
 IR Inten    --      2.7751               135.2028                 0.5156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.08  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.07   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.19   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.17   0.07  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.04   0.03  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.02  -0.18  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.02   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01   0.00  -0.01    -0.01  -0.01  -0.01     0.00   0.00  -0.00
    10   6    -0.02   0.03  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02  -0.05  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.12   0.05   0.03    -0.00   0.00   0.01    -0.00   0.00   0.00
    13   6    -0.04   0.03   0.03     0.01   0.01  -0.02     0.00  -0.00  -0.01
    14   6    -0.14   0.12  -0.06    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    15   7    -0.00  -0.03   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    18   7     0.00  -0.01   0.00     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.01  -0.01     0.01   0.03   0.07     0.00   0.01   0.01
    20   6     0.01  -0.00   0.01    -0.02  -0.03  -0.08    -0.00  -0.01  -0.02
    21   6    -0.01  -0.01  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    22   6     0.01   0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
    23   7    -0.17   0.15   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   7     0.18   0.09   0.06     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   7    -0.01   0.00   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    26   6     0.05   0.07  -0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    27   6    -0.03  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   6    -0.03  -0.02   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6     0.07  -0.01   0.06    -0.00   0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.03   0.09   0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   6     0.04  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.08   0.01  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   6    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.01  -0.00   0.00
    38   6    -0.10  -0.06  -0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    39   6     0.05  -0.00   0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    40   6     0.01   0.06  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    41   6    -0.05  -0.03  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    42   6    -0.05  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    43   6     0.03  -0.05   0.07    -0.00   0.00   0.01    -0.00   0.00   0.00
    44   6     0.04   0.05  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    45   6    -0.10  -0.04  -0.05    -0.01   0.00   0.00    -0.00   0.00   0.00
    46   6     0.09  -0.08  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.06   0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    48   6     0.02   0.06   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
    49   6     0.05  -0.05  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    50   6     0.05  -0.03   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    51   6    -0.07  -0.04  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    52   6    -0.03   0.06   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    53   6     0.12  -0.07   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    54   6     0.01   0.01  -0.00    -0.00  -0.01   0.01    -0.02   0.02  -0.03
    55   6    -0.00  -0.00   0.00    -0.01   0.01  -0.02     0.04  -0.03   0.05
    56   6    -0.00  -0.01  -0.01     0.01   0.00   0.02    -0.04   0.04  -0.06
    57   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.02   0.03
    58   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.02
    59   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.03
    60   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.03
    61   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.01  -0.01   0.01
    62   8    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.00   0.00   0.00
    63  15    -0.01   0.01  -0.01    -0.03  -0.03  -0.07    -0.00  -0.00  -0.00
    64   8     0.01   0.01   0.02     0.08   0.06   0.12     0.00   0.00   0.00
    65   8     0.00  -0.01  -0.00    -0.02   0.04   0.02    -0.00   0.00   0.00
    66   6     0.01   0.01  -0.00     0.06   0.05  -0.02     0.00   0.00  -0.00
    67   6    -0.01  -0.01  -0.01    -0.05  -0.10  -0.07    -0.00  -0.00  -0.00
    68   6    -0.00  -0.00  -0.00     0.02   0.00   0.01     0.00   0.00   0.00
    69   6     0.00   0.00  -0.00    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    70   1     0.04  -0.14   0.04    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    71   1     0.21  -0.04  -0.08     0.00   0.00   0.00     0.00  -0.00  -0.00
    72   1     0.06   0.04   0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    73   1    -0.03  -0.10  -0.07     0.01   0.00  -0.00    -0.00   0.00   0.00
    74   1     0.02   0.10  -0.22    -0.03  -0.03   0.16    -0.01  -0.01   0.03
    75   1    -0.25  -0.01   0.22     0.04   0.04  -0.15     0.01   0.01  -0.04
    76   1    -0.00   0.03   0.04    -0.12  -0.18  -0.42    -0.03  -0.04  -0.08
    77   1    -0.01  -0.04  -0.05     0.10   0.22   0.45     0.03   0.06   0.12
    78   1     0.04   0.02  -0.00    -0.02  -0.03  -0.05    -0.01  -0.02  -0.04
    79   1    -0.15   0.01  -0.13     0.00   0.00   0.00    -0.01   0.01   0.01
    80   1     0.07   0.03   0.03     0.00  -0.00  -0.00     0.01  -0.02  -0.02
    81   1     0.02   0.05  -0.07    -0.00   0.00   0.01    -0.02   0.02   0.02
    82   1    -0.05  -0.02  -0.00     0.00  -0.01  -0.00     0.01  -0.01  -0.01
    83   1    -0.05  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01   0.01
    84   1    -0.01  -0.02   0.10     0.01  -0.02  -0.02     0.02  -0.03  -0.02
    85   1     0.11  -0.02  -0.03    -0.02   0.03   0.03    -0.02   0.02   0.02
    86   1    -0.16  -0.10   0.08     0.01  -0.03  -0.02     0.01  -0.01  -0.01
    87   1     0.18  -0.02   0.07     0.00  -0.00   0.00     0.00   0.00  -0.00
    88   1    -0.07   0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    89   1     0.02   0.06   0.05    -0.00   0.00   0.00     0.00   0.00  -0.00
    90   1     0.04  -0.05  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    91   1     0.05  -0.03   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    92   1    -0.05  -0.04  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    93   1    -0.07   0.04   0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
    94   1     0.10  -0.17  -0.11     0.00  -0.00  -0.00     0.00  -0.00   0.00
    95   1     0.02  -0.01   0.00    -0.07   0.05  -0.07     0.15  -0.14   0.23
    96   1    -0.01   0.01  -0.01     0.07  -0.07   0.10    -0.23   0.23  -0.35
    97   1     0.01  -0.01   0.00    -0.06   0.06  -0.06     0.26  -0.25   0.38
    98   1     0.00  -0.00  -0.00     0.00   0.01   0.02    -0.17   0.18  -0.24
    99   1     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.10  -0.10   0.14
   100   1    -0.01  -0.00  -0.01     0.01   0.00   0.02    -0.14   0.14  -0.21
   101   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.13  -0.12   0.18
   102   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.07   0.07  -0.11
   103   1     0.01   0.02   0.00     0.08   0.12   0.04     0.00   0.00   0.00
   104   1     0.01   0.03   0.03     0.08   0.23   0.18     0.00   0.01   0.01
   105   1    -0.03  -0.05   0.00    -0.21  -0.36   0.02    -0.01  -0.01   0.00
   106   1    -0.00  -0.01   0.01    -0.01  -0.04   0.09    -0.00  -0.00   0.00
   107   1    -0.00   0.01   0.01    -0.01   0.04   0.08    -0.00   0.00   0.00
   108   1    -0.00  -0.01   0.00     0.03   0.10  -0.03     0.00   0.01  -0.00
   109   1    -0.00  -0.00  -0.00     0.03   0.04   0.00     0.00   0.00  -0.00
   110   1     0.01   0.01   0.00    -0.08  -0.03   0.00    -0.01  -0.00  -0.00
   111   1     0.00  -0.00   0.00     0.01   0.02   0.00     0.00   0.00  -0.00
   112   1     0.00  -0.00  -0.00    -0.04  -0.00   0.00    -0.00   0.00   0.00
   113  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    163                    164                    165
                      A                      A                      A
 Frequencies --    974.1434               974.5853               975.1856
 Red. masses --      1.2543                 1.2557                 1.2348
 Frc consts  --      0.7013                 0.7027                 0.6919
 IR Inten    --      0.5686                 1.2609                 0.1145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.02    -0.00   0.00   0.02     0.00   0.00  -0.00
    14   6    -0.01  -0.00   0.02     0.01   0.00  -0.02    -0.00   0.00   0.00
    15   7     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    23   7    -0.00   0.01   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    24   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    27   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    35   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.01
    36   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    38   6     0.02  -0.03  -0.02    -0.01   0.01   0.00    -0.00   0.00   0.00
    39   6    -0.03   0.04   0.04     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    40   6     0.03  -0.04  -0.04    -0.01   0.01   0.01    -0.00   0.00   0.00
    41   6    -0.02   0.03   0.02     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    42   6     0.01  -0.02  -0.02    -0.01   0.01   0.01    -0.00  -0.00  -0.00
    43   6    -0.02   0.03   0.03     0.02  -0.02  -0.02    -0.00   0.00   0.00
    44   6     0.02  -0.02  -0.02    -0.01   0.02   0.02     0.00  -0.00  -0.00
    45   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.00   0.00   0.00
    46   6    -0.00  -0.01   0.01    -0.01  -0.01   0.01     0.00  -0.00   0.00
    47   6     0.01   0.02  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
    48   6    -0.01  -0.02   0.03    -0.02  -0.02   0.03    -0.00  -0.00   0.00
    49   6     0.01   0.01  -0.01     0.01   0.02  -0.02     0.00   0.00  -0.00
    50   6    -0.01  -0.01   0.01    -0.02  -0.02   0.03    -0.00  -0.00   0.00
    51   6     0.01   0.01  -0.02     0.03   0.04  -0.05     0.00   0.00  -0.00
    52   6    -0.01  -0.01   0.02    -0.03  -0.04   0.05    -0.00  -0.00   0.00
    53   6     0.01   0.00  -0.01     0.01   0.02  -0.03     0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.02
    55   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
    56   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.03
    57   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
    58   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.03
    59   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.04  -0.06
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.04   0.05
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.03
    62   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    63  15     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   8    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    65   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    67   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    69   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    70   1     0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    71   1     0.01  -0.00   0.03     0.00   0.03   0.13     0.00   0.00   0.00
    72   1     0.00  -0.00  -0.01    -0.01  -0.01  -0.07    -0.00   0.00  -0.00
    73   1    -0.01  -0.00   0.04     0.01  -0.01  -0.03     0.00   0.00  -0.00
    74   1    -0.03  -0.02   0.08     0.02   0.03  -0.09    -0.00  -0.00   0.00
    75   1     0.03   0.05  -0.12    -0.04  -0.05   0.12     0.00   0.00  -0.01
    76   1     0.00   0.01   0.02    -0.00  -0.01  -0.01    -0.01  -0.01  -0.03
    77   1    -0.01  -0.01  -0.02     0.00   0.01   0.01     0.01   0.02   0.04
    78   1     0.01   0.01   0.00    -0.01  -0.00  -0.00     0.01   0.02   0.05
    79   1    -0.14   0.18   0.17     0.03  -0.04  -0.04     0.00  -0.00  -0.00
    80   1     0.21  -0.28  -0.26    -0.05   0.07   0.07    -0.00   0.01   0.01
    81   1    -0.23   0.30   0.27     0.06  -0.08  -0.08     0.01  -0.01  -0.01
    82   1     0.15  -0.20  -0.17    -0.05   0.06   0.05    -0.00   0.00   0.00
    83   1    -0.09   0.12   0.10     0.06  -0.08  -0.08    -0.00   0.00   0.00
    84   1     0.14  -0.18  -0.16    -0.10   0.13   0.12     0.00  -0.00  -0.00
    85   1    -0.12   0.15   0.14     0.09  -0.12  -0.11    -0.00   0.00   0.00
    86   1     0.07  -0.09  -0.09    -0.06   0.07   0.07     0.00  -0.00  -0.00
    87   1     0.05   0.06  -0.09     0.04   0.07  -0.10     0.00   0.00  -0.00
    88   1    -0.08  -0.11   0.14    -0.09  -0.13   0.17    -0.00  -0.00   0.00
    89   1     0.08   0.12  -0.15     0.10   0.15  -0.19     0.00   0.00  -0.00
    90   1    -0.05  -0.08   0.08    -0.08  -0.10   0.12    -0.00  -0.00   0.00
    91   1     0.04   0.06  -0.07     0.13   0.18  -0.21     0.00   0.00  -0.01
    92   1    -0.07  -0.09   0.11    -0.20  -0.28   0.35    -0.00  -0.01   0.01
    93   1     0.05   0.08  -0.10     0.18   0.24  -0.31     0.00   0.01  -0.01
    94   1    -0.03  -0.05   0.06    -0.11  -0.15   0.20    -0.00  -0.00   0.00
    95   1    -0.01   0.01  -0.02     0.00  -0.00   0.00     0.09  -0.09   0.14
    96   1     0.02  -0.02   0.03    -0.00   0.00  -0.01    -0.13   0.12  -0.19
    97   1    -0.02   0.02  -0.03     0.00  -0.00   0.01     0.13  -0.13   0.20
    98   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.08   0.09  -0.12
    99   1    -0.01   0.01  -0.01     0.01  -0.01   0.01    -0.17   0.17  -0.24
   100   1     0.01  -0.01   0.02    -0.01   0.01  -0.01     0.27  -0.26   0.39
   101   1    -0.01   0.01  -0.02     0.01  -0.01   0.01    -0.25   0.23  -0.36
   102   1     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.16  -0.15   0.24
   103   1    -0.00  -0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
   104   1    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.00   0.00   0.00
   105   1     0.01   0.02  -0.00    -0.01  -0.02   0.00    -0.00  -0.01   0.00
   106   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   107   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   108   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   112   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   113  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    166                    167                    168
                      A                      A                      A
 Frequencies --    975.8482               976.4745               981.3188
 Red. masses --      1.2623                 1.2380                 1.3932
 Frc consts  --      0.7082                 0.6955                 0.7905
 IR Inten    --      1.5672                 0.1661                10.9633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.00
     3   6    -0.00   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.02  -0.00
     4   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.01  -0.00
     5   6    -0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.01   0.01   0.01
     7   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.01   0.01   0.01
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     9   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.02   0.01
    11   6     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.01  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    13   6    -0.00   0.01   0.03    -0.00   0.00   0.01    -0.01   0.02   0.09
    14   6     0.01   0.00  -0.03     0.00   0.00  -0.01     0.03   0.02  -0.10
    15   7    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.02  -0.01
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    23   7     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.02  -0.02  -0.00
    24   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    30   6     0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.01
    31   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.00   0.00   0.00     0.00   0.00  -0.01    -0.00   0.00   0.00
    33   6     0.01   0.00  -0.00    -0.00  -0.00   0.01     0.01  -0.00   0.00
    34   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    35   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    38   6     0.01  -0.02  -0.02     0.01  -0.01  -0.01    -0.00  -0.00   0.00
    39   6    -0.02   0.03   0.02    -0.02   0.02   0.02     0.00  -0.00  -0.00
    40   6     0.02  -0.03  -0.03     0.01  -0.02  -0.02     0.00   0.00  -0.00
    41   6    -0.01   0.02   0.01    -0.01   0.01   0.01    -0.00   0.00   0.00
    42   6    -0.02   0.02   0.02    -0.00   0.01   0.00     0.02  -0.02  -0.02
    43   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01    -0.02   0.03   0.03
    44   6    -0.03   0.04   0.04    -0.01   0.01   0.01     0.01  -0.02  -0.02
    45   6     0.02  -0.02  -0.02     0.00  -0.01  -0.01    -0.01   0.01   0.01
    46   6    -0.01  -0.00   0.01     0.02   0.02  -0.03    -0.01   0.01   0.00
    47   6     0.01   0.01  -0.01    -0.03  -0.04   0.05     0.01  -0.00   0.00
    48   6    -0.01  -0.01   0.01     0.03   0.04  -0.05    -0.00  -0.01  -0.01
    49   6     0.00   0.01  -0.01    -0.01  -0.02   0.03    -0.01   0.00   0.00
    50   6     0.00   0.01  -0.01    -0.01  -0.01   0.01    -0.00   0.01  -0.00
    51   6    -0.01  -0.02   0.03     0.02   0.02  -0.02     0.01   0.00   0.01
    52   6     0.01   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.00  -0.01
    53   6    -0.01  -0.01   0.01     0.01   0.01  -0.02    -0.01   0.01   0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    57   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    59   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    60   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    63  15    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    64   8     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.01   0.01
    65   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    66   6     0.01   0.01   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    67   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    68   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    70   1    -0.01   0.01  -0.01     0.00   0.01   0.06    -0.02   0.03   0.01
    71   1    -0.02   0.01  -0.04     0.00   0.01   0.07    -0.02   0.05   0.06
    72   1    -0.01   0.00   0.01    -0.01  -0.00  -0.04    -0.03   0.00  -0.06
    73   1    -0.01  -0.02   0.03    -0.01  -0.01   0.04    -0.01  -0.05   0.01
    74   1     0.04   0.04  -0.14     0.02   0.01  -0.04     0.13   0.15  -0.49
    75   1    -0.06  -0.08   0.21    -0.02  -0.02   0.06    -0.19  -0.23   0.60
    76   1    -0.00  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.03  -0.02
    77   1     0.01   0.01   0.02     0.00   0.00   0.00     0.01   0.03   0.01
    78   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.03  -0.01   0.01
    79   1    -0.10   0.13   0.12    -0.06   0.08   0.08     0.00  -0.01  -0.01
    80   1     0.13  -0.18  -0.17     0.09  -0.12  -0.12    -0.00   0.01   0.01
    81   1    -0.14   0.19   0.17    -0.10   0.14   0.13     0.00   0.00  -0.00
    82   1     0.09  -0.12  -0.11     0.07  -0.10  -0.08     0.00  -0.00  -0.01
    83   1     0.13  -0.17  -0.15     0.03  -0.04  -0.04    -0.11   0.17   0.12
    84   1    -0.21   0.27   0.25    -0.05   0.07   0.07     0.14  -0.18  -0.17
    85   1     0.19  -0.25  -0.24     0.05  -0.07  -0.07    -0.11   0.14   0.13
    86   1    -0.12   0.17   0.16    -0.04   0.05   0.05     0.07  -0.08  -0.09
    87   1     0.03   0.05  -0.08    -0.11  -0.16   0.23    -0.02   0.00  -0.01
    88   1    -0.05  -0.08   0.10     0.17   0.26  -0.33     0.01  -0.00  -0.01
    89   1     0.05   0.08  -0.10    -0.19  -0.28   0.36    -0.00  -0.01   0.00
    90   1    -0.04  -0.04   0.05     0.14   0.19  -0.21    -0.00   0.01  -0.01
    91   1    -0.06  -0.08   0.09     0.06   0.09  -0.10    -0.02  -0.01   0.02
    92   1     0.09   0.13  -0.15    -0.10  -0.14   0.18     0.02   0.02  -0.02
    93   1    -0.08  -0.12   0.14     0.10   0.13  -0.17    -0.00  -0.02   0.02
    94   1     0.05   0.08  -0.09    -0.07  -0.09   0.12    -0.00   0.03  -0.00
    95   1     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    96   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    97   1     0.01  -0.01   0.02     0.00  -0.00   0.00     0.00   0.00   0.01
    98   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    99   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   101   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
   102   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
   103   1     0.01   0.01   0.01     0.00   0.00   0.00     0.01   0.02   0.01
   104   1     0.01   0.02   0.02     0.00   0.00   0.00     0.01   0.03   0.03
   105   1    -0.02  -0.03   0.00    -0.00  -0.01   0.00    -0.03  -0.06   0.00
   106   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
   107   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
   108   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
   109   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   110   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   111   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
   113  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    169                    170                    171
                      A                      A                      A
 Frequencies --    990.0041               993.5649              1016.7418
 Red. masses --      1.4258                 4.4410                 4.1443
 Frc consts  --      0.8233                 2.5830                 2.5242
 IR Inten    --     12.1317                75.7576                 0.8057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00  -0.01   0.00    -0.01  -0.01  -0.00
     2   6    -0.03  -0.01  -0.01    -0.14  -0.07   0.03     0.02  -0.04   0.00
     3   6    -0.01  -0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01  -0.00
     4   6     0.03  -0.02   0.02     0.12  -0.10  -0.02    -0.04   0.01  -0.00
     5   6    -0.00  -0.01  -0.12     0.01   0.04   0.07     0.01  -0.01  -0.00
     6   6     0.01   0.04   0.09     0.02   0.16  -0.08     0.02   0.02   0.00
     7   6     0.00  -0.01  -0.00     0.00  -0.02   0.00     0.01   0.03   0.01
     8   6    -0.01  -0.00  -0.01    -0.07  -0.03  -0.06    -0.08  -0.03  -0.04
     9   6    -0.01  -0.01   0.02    -0.08  -0.08   0.06    -0.09  -0.06   0.03
    10   6     0.02  -0.04  -0.00     0.12  -0.17   0.06    -0.04   0.02   0.01
    11   6     0.01  -0.01   0.00     0.07  -0.05   0.01     0.06   0.00   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.01   0.00  -0.00
    13   6     0.00   0.02  -0.01     0.00   0.09  -0.01     0.02   0.04   0.02
    14   6    -0.01   0.00   0.02    -0.02   0.00   0.04     0.02   0.01   0.00
    15   7    -0.01   0.04  -0.02    -0.03   0.19  -0.10     0.06   0.02  -0.02
    16   6     0.00   0.01  -0.00     0.03   0.05  -0.03     0.07  -0.01  -0.01
    17   6    -0.01   0.00  -0.00    -0.05   0.02  -0.01     0.05   0.01  -0.02
    18   7     0.00   0.02  -0.01     0.01   0.10  -0.05    -0.03   0.06  -0.02
    19   6     0.00  -0.02   0.01     0.02  -0.10   0.04     0.05  -0.01   0.00
    20   6    -0.00   0.00  -0.00    -0.01   0.02  -0.01    -0.18   0.20  -0.05
    21   6     0.00   0.01  -0.00     0.01   0.04  -0.01     0.01  -0.03   0.00
    22   6    -0.01  -0.02   0.01    -0.07  -0.09   0.06     0.13  -0.19   0.05
    23   7    -0.00   0.00   0.00    -0.01   0.01  -0.00    -0.03   0.03   0.00
    24   7     0.01   0.00   0.00     0.01   0.00   0.01    -0.03  -0.02  -0.01
    25   7     0.01   0.00  -0.01     0.07   0.00  -0.03    -0.13  -0.04   0.05
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.00
    27   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.02   0.00  -0.01
    30   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.03   0.01
    31   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    32   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    33   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.01
    34   6     0.00   0.00  -0.00     0.02   0.02  -0.00    -0.05  -0.05   0.00
    35   6    -0.00   0.00   0.00    -0.01   0.00   0.01     0.01  -0.02  -0.02
    36   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.03  -0.01
    37   6     0.01  -0.00  -0.01     0.04  -0.01  -0.03    -0.08   0.01   0.06
    38   6    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.01   0.00
    39   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.01   0.01
    41   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01   0.00
    42   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.02   0.00   0.01
    43   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.02
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01   0.00
    45   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.03   0.01   0.01
    46   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    48   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    50   6     0.01   0.01  -0.01     0.00  -0.01   0.01     0.02  -0.01   0.00
    51   6    -0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.02  -0.01  -0.02
    52   6     0.00   0.01  -0.01    -0.00  -0.00   0.01    -0.01   0.01   0.01
    53   6     0.00  -0.01   0.00     0.01  -0.00  -0.00     0.03  -0.02   0.00
    54   6    -0.01  -0.01   0.00    -0.05  -0.03   0.01     0.09   0.05  -0.03
    55   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01    -0.05   0.01   0.04
    56   6     0.00   0.01   0.00     0.01   0.04   0.02    -0.01  -0.07  -0.04
    57   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.06   0.05  -0.01
    58   6    -0.00  -0.00   0.00    -0.02  -0.00   0.01     0.02   0.00  -0.02
    59   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.03   0.03
    60   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.01
    61   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.07   0.02  -0.03
    62   8    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.00   0.01
    63  15     0.00  -0.00   0.01     0.02  -0.02   0.03     0.00  -0.00   0.00
    64   8    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02    -0.00   0.01   0.01
    65   8    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    66   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.01  -0.02  -0.02
    67   6     0.00   0.00   0.00     0.01   0.01   0.00     0.01   0.02   0.01
    68   6    -0.00  -0.01   0.00    -0.01  -0.03   0.01     0.01   0.02  -0.00
    69   6     0.00   0.00  -0.00     0.01   0.02  -0.00    -0.01  -0.01   0.00
    70   1    -0.03   0.02   0.03    -0.17  -0.05  -0.03     0.05  -0.12  -0.01
    71   1     0.05   0.13   0.73    -0.03  -0.01  -0.47     0.06  -0.13   0.03
    72   1    -0.09  -0.04  -0.58     0.03   0.22   0.34     0.04   0.01  -0.03
    73   1     0.02   0.00  -0.01     0.08  -0.04   0.03     0.07   0.03   0.05
    74   1    -0.03  -0.01   0.09    -0.04   0.05   0.17     0.07   0.04  -0.01
    75   1     0.03   0.05  -0.13     0.07   0.11  -0.25     0.05   0.07   0.06
    76   1     0.01  -0.02   0.01     0.03  -0.10   0.05     0.36  -0.06  -0.13
    77   1     0.01   0.02  -0.01     0.05   0.11  -0.05    -0.12   0.31  -0.10
    78   1    -0.05  -0.02   0.02    -0.25  -0.10   0.07     0.50  -0.21   0.02
    79   1    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.03  -0.00   0.02
    80   1     0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.01   0.00
    81   1     0.00   0.00  -0.00    -0.00   0.01   0.00    -0.01  -0.01   0.00
    82   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.01  -0.00   0.01
    83   1     0.00  -0.01  -0.01     0.01  -0.02  -0.01     0.01   0.01   0.01
    84   1    -0.01   0.01   0.01    -0.01   0.01   0.01    -0.01   0.01  -0.02
    85   1     0.01  -0.00  -0.00     0.01  -0.01  -0.00    -0.02  -0.01  -0.01
    86   1    -0.01  -0.00   0.01    -0.01  -0.01   0.01     0.03   0.02  -0.00
    87   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.01   0.01
    88   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.01   0.02   0.01
    89   1    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01   0.01
    90   1    -0.00  -0.00  -0.00    -0.01  -0.02   0.01     0.01  -0.00   0.00
    91   1    -0.06  -0.09   0.07     0.05   0.07  -0.05     0.02  -0.01   0.00
    92   1     0.05   0.07  -0.08    -0.04  -0.05   0.05    -0.02  -0.00  -0.02
    93   1    -0.04  -0.04   0.05     0.02   0.03  -0.03    -0.02   0.01   0.00
    94   1     0.02   0.01  -0.04    -0.00  -0.02   0.02     0.03  -0.03  -0.01
    95   1    -0.01   0.00   0.01    -0.06   0.00   0.04     0.12   0.01  -0.07
    96   1     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.07  -0.03   0.02
    97   1    -0.00   0.01   0.00     0.00   0.04   0.02    -0.03  -0.08  -0.02
    98   1    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.05   0.05  -0.03
    99   1    -0.00  -0.00   0.00    -0.01  -0.02   0.02     0.03   0.03   0.01
   100   1     0.00   0.00  -0.00     0.01   0.01  -0.02    -0.05   0.01   0.04
   101   1     0.01  -0.00  -0.00     0.03  -0.00  -0.02    -0.05   0.02   0.05
   102   1    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01     0.08   0.10   0.00
   103   1    -0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.01  -0.03  -0.02
   104   1    -0.00  -0.01  -0.01    -0.00  -0.03  -0.04    -0.02  -0.02  -0.01
   105   1     0.01   0.02  -0.00     0.01   0.03  -0.00     0.03   0.04  -0.00
   106   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
   107   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00  -0.01
   108   1    -0.00  -0.01   0.00    -0.02  -0.02  -0.00     0.01   0.02   0.00
   109   1    -0.01  -0.01   0.00    -0.02  -0.04   0.01     0.01   0.03  -0.01
   110   1     0.02   0.01   0.00     0.06   0.03   0.01    -0.03  -0.02  -0.01
   111   1     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
   112   1     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
   113  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    172                    173                    174
                      A                      A                      A
 Frequencies --   1019.0344              1020.3307              1020.4443
 Red. masses --      4.2176                 7.2118                 7.2997
 Frc consts  --      2.5804                 4.4236                 4.4785
 IR Inten    --      4.0574                 3.5289                 2.9972
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.05   0.15  -0.03     0.01   0.01  -0.00    -0.00  -0.01   0.00
     3   6    -0.03   0.04   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02   0.03  -0.01    -0.01   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.01   0.03   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.08  -0.16   0.01    -0.00  -0.01   0.00     0.01   0.01  -0.00
     7   6    -0.04  -0.07  -0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
     8   6     0.00  -0.04  -0.02    -0.01  -0.01  -0.01     0.00   0.00   0.00
     9   6    -0.03  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
    10   6    -0.01   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.03  -0.16   0.00     0.01  -0.01   0.00    -0.00   0.01   0.00
    12   6     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.01
    13   6    -0.05   0.17  -0.00    -0.00   0.02   0.00    -0.00  -0.01   0.00
    14   6    -0.05  -0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   7     0.01   0.01  -0.01     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    16   6     0.02   0.00  -0.01     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    19   6     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.04   0.04  -0.01    -0.03   0.03  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    22   6     0.02  -0.04   0.01     0.03  -0.03   0.01    -0.00   0.00  -0.00
    23   7     0.08  -0.08  -0.01     0.00  -0.00  -0.00    -0.01   0.00  -0.00
    24   7     0.11   0.06   0.04     0.00   0.00   0.00    -0.00  -0.02   0.01
    25   7    -0.02  -0.01   0.01    -0.03   0.01   0.02     0.00  -0.00  -0.00
    26   6     0.06   0.06  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    27   6     0.01  -0.02   0.03     0.00  -0.00   0.01     0.09  -0.16   0.23
    28   6    -0.01  -0.03   0.03    -0.00  -0.01   0.00    -0.05  -0.22   0.19
    29   6     0.06   0.00   0.04     0.00   0.00   0.00    -0.02  -0.00  -0.00
    30   6     0.04  -0.07  -0.03     0.00  -0.00  -0.00    -0.01   0.01   0.00
    31   6     0.04   0.02   0.04     0.00   0.00   0.00    -0.07  -0.04  -0.07
    32   6     0.02   0.05   0.05     0.00   0.00   0.00    -0.02  -0.08  -0.07
    33   6     0.05  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.01  -0.01  -0.00    -0.02  -0.02   0.01     0.00   0.00  -0.00
    35   6     0.01  -0.01  -0.01    -0.10   0.21   0.20     0.00  -0.00  -0.00
    36   6    -0.00  -0.01  -0.01     0.04   0.27   0.15    -0.00  -0.00  -0.00
    37   6    -0.01   0.00   0.01     0.00   0.01   0.01    -0.00  -0.00  -0.00
    38   6    -0.07  -0.04  -0.02    -0.00  -0.00  -0.00     0.03   0.01   0.01
    39   6     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.20   0.04  -0.21
    40   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.01  -0.00   0.01
    41   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.23   0.16   0.01
    42   6    -0.07  -0.01  -0.04    -0.01  -0.00  -0.00    -0.23  -0.06  -0.14
    43   6     0.02  -0.04   0.06     0.00  -0.00   0.00    -0.01  -0.00  -0.00
    44   6     0.04   0.05  -0.01     0.00   0.01  -0.00     0.17   0.22  -0.09
    45   6    -0.09  -0.03  -0.04    -0.00  -0.00  -0.00    -0.02  -0.01   0.00
    46   6    -0.04   0.04   0.01    -0.00   0.00   0.00    -0.01   0.00  -0.00
    47   6    -0.03  -0.01  -0.02    -0.00   0.00  -0.00     0.09  -0.00   0.05
    48   6    -0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    49   6     0.01  -0.01   0.00     0.00  -0.00  -0.00    -0.06   0.07   0.02
    50   6    -0.09   0.04  -0.02    -0.00   0.00  -0.00     0.09  -0.04   0.02
    51   6     0.04   0.03   0.05     0.00   0.00   0.00    -0.00  -0.00  -0.01
    52   6     0.03  -0.07  -0.04     0.00  -0.00  -0.00    -0.03   0.09   0.05
    53   6    -0.08   0.05  -0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    54   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
    55   6    -0.01   0.00   0.01     0.21  -0.08  -0.20    -0.00   0.00   0.00
    56   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    57   6     0.02   0.01  -0.00    -0.23  -0.16   0.04     0.00   0.00  -0.00
    58   6    -0.00  -0.00   0.00     0.26   0.04  -0.16    -0.00  -0.00   0.00
    59   6    -0.00   0.00   0.01     0.00   0.01   0.01    -0.00  -0.00  -0.00
    60   6     0.00   0.01   0.00    -0.18  -0.25  -0.04     0.00   0.00   0.00
    61   6     0.01   0.00  -0.01     0.04   0.02  -0.01    -0.00  -0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    63  15     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   8    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    65   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    66   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.00     0.00   0.00   0.00
    67   6     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    70   1     0.00   0.33   0.07     0.01   0.01   0.00     0.00  -0.02   0.00
    71   1    -0.15   0.33  -0.12    -0.00   0.00  -0.00     0.01  -0.03   0.01
    72   1    -0.14  -0.15   0.10    -0.00  -0.01   0.00     0.01   0.01   0.00
    73   1     0.03  -0.22  -0.15     0.01  -0.01  -0.00     0.01   0.02  -0.01
    74   1    -0.14   0.15   0.14     0.00   0.02   0.01     0.01  -0.00  -0.03
    75   1    -0.10  -0.10  -0.32     0.00   0.00  -0.01     0.00   0.01   0.01
    76   1     0.07  -0.01  -0.02     0.06  -0.01  -0.02    -0.00   0.00   0.00
    77   1    -0.02   0.06  -0.03    -0.03   0.04  -0.03     0.00  -0.00   0.00
    78   1     0.09  -0.04   0.01     0.09  -0.05  -0.02    -0.00   0.00  -0.00
    79   1    -0.09   0.00  -0.07    -0.00  -0.00  -0.00     0.02  -0.01   0.02
    80   1     0.03   0.04  -0.03    -0.00   0.00  -0.00    -0.24   0.01  -0.20
    81   1     0.04   0.05  -0.01     0.00   0.00   0.00     0.05   0.01   0.01
    82   1    -0.02   0.00  -0.03     0.00   0.00  -0.00     0.22   0.20   0.01
    83   1    -0.07  -0.02  -0.03    -0.01  -0.00  -0.00    -0.25  -0.02  -0.14
    84   1     0.05  -0.02   0.06     0.00  -0.00   0.00    -0.05  -0.03  -0.03
    85   1     0.07   0.04   0.03     0.01   0.01  -0.00     0.21   0.22  -0.05
    86   1    -0.10  -0.08   0.00    -0.00  -0.00  -0.00    -0.00  -0.02   0.01
    87   1    -0.09   0.02  -0.03    -0.00   0.00   0.00     0.00   0.00   0.00
    88   1    -0.02  -0.04  -0.05    -0.00   0.00  -0.00     0.10  -0.02   0.04
    89   1     0.03  -0.05  -0.01     0.00  -0.00   0.00    -0.01   0.01  -0.00
    90   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00    -0.06   0.09   0.03
    91   1    -0.09   0.03  -0.00    -0.00   0.00  -0.00     0.11  -0.03   0.02
    92   1     0.06   0.02   0.04     0.00   0.00   0.00     0.01  -0.02  -0.00
    93   1     0.06  -0.07  -0.01     0.00  -0.00  -0.00    -0.05   0.10   0.04
    94   1    -0.07   0.09   0.02    -0.00   0.00   0.00     0.00  -0.01  -0.00
    95   1     0.02   0.00  -0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    96   1    -0.02  -0.00   0.01     0.25  -0.05  -0.20    -0.00   0.00   0.00
    97   1    -0.00  -0.01  -0.00    -0.06  -0.03   0.01     0.00   0.00  -0.00
    98   1     0.02   0.02  -0.01    -0.22  -0.20   0.04     0.00   0.00  -0.00
    99   1    -0.00   0.00   0.01     0.27   0.02  -0.16    -0.00  -0.00   0.00
   100   1    -0.01   0.00   0.01     0.04   0.03  -0.01    -0.00  -0.00   0.00
   101   1    -0.00   0.01   0.01    -0.23  -0.24   0.00     0.00   0.00  -0.00
   102   1     0.01   0.02  -0.00     0.02   0.04   0.01    -0.00  -0.00  -0.00
   103   1    -0.01  -0.03  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
   104   1    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
   105   1     0.03   0.04  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
   106   1     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
   107   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
   108   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   109   1     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
   111   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   112   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   113  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                    175                    176                    177
                      A                      A                      A
 Frequencies --   1021.0038              1035.5450              1041.8788
 Red. masses --      6.7882                 4.4105                 4.3660
 Frc consts  --      4.1692                 2.7866                 2.7923
 IR Inten    --      3.6323               298.6178               244.7979
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.02   0.07  -0.02     0.00  -0.01   0.00     0.02  -0.03  -0.00
     3   6    -0.01   0.02   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.04   0.05   0.01
     5   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.04  -0.00
     6   6    -0.03  -0.06   0.00     0.00   0.00  -0.00     0.03  -0.01   0.00
     7   6    -0.02  -0.03  -0.01     0.00   0.00   0.00    -0.01   0.04   0.00
     8   6     0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.13  -0.05  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.13  -0.04   0.01
    10   6    -0.00   0.00   0.00     0.00   0.01  -0.00    -0.00   0.12  -0.04
    11   6     0.01  -0.07  -0.00     0.00   0.00   0.00     0.10  -0.06   0.02
    12   6     0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    13   6    -0.02   0.06  -0.00     0.00   0.00   0.01     0.01   0.11   0.03
    14   6    -0.02  -0.00   0.01     0.01   0.00  -0.01     0.02  -0.02  -0.00
    15   7     0.00   0.00  -0.00     0.01  -0.01   0.00     0.13  -0.04   0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.09   0.06  -0.05
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.03   0.01
    18   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.07  -0.02  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.01   0.00    -0.04   0.03  -0.01
    20   6    -0.00   0.01  -0.00     0.01  -0.01   0.00    -0.00  -0.06   0.03
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01  -0.00
    22   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.08   0.01   0.01
    23   7     0.02  -0.04  -0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    24   7     0.04   0.03   0.01    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    25   7    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.05   0.02  -0.02
    26   6     0.02   0.02  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    27   6    -0.03   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.02   0.07  -0.06    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.03   0.00   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    30   6     0.00  -0.02  -0.02    -0.00   0.00   0.00    -0.01   0.02   0.01
    31   6    -0.18  -0.11  -0.18    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.06  -0.19  -0.18    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   6     0.04  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.00  -0.01
    34   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.03  -0.00
    35   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    36   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.03
    38   6    -0.04  -0.02  -0.01     0.00   0.00   0.00     0.01   0.01  -0.00
    39   6     0.08  -0.01   0.08    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    41   6    -0.09  -0.06  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    42   6     0.06   0.02   0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    43   6     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.01  -0.02
    44   6    -0.05  -0.06   0.03    -0.00  -0.00   0.00     0.01   0.00   0.00
    45   6    -0.03  -0.01  -0.02     0.00   0.00   0.00     0.01   0.00   0.01
    46   6    -0.04   0.03   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    47   6     0.25  -0.02   0.12    -0.00   0.00  -0.00     0.00   0.00   0.00
    48   6    -0.01  -0.01  -0.02     0.00   0.00   0.00     0.00   0.01   0.01
    49   6    -0.18   0.20   0.07     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    50   6     0.21  -0.10   0.05     0.00  -0.00   0.00     0.01  -0.00   0.00
    51   6     0.02   0.00   0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    52   6    -0.07   0.22   0.13    -0.00  -0.00   0.00    -0.00   0.00   0.00
    53   6    -0.02   0.00  -0.01     0.00  -0.00   0.00     0.02  -0.01   0.00
    54   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    55   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.04   0.02
    57   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    58   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.01
    59   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
    60   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    61   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.04  -0.01   0.02
    62   8    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.03  -0.01   0.02
    63  15     0.00   0.00   0.00    -0.01  -0.03  -0.04    -0.01   0.01  -0.00
    64   8    -0.00   0.00   0.00     0.03   0.08   0.22     0.01   0.04   0.09
    65   8    -0.00  -0.00  -0.00    -0.05   0.15  -0.03     0.04  -0.14   0.02
    66   6    -0.00  -0.01  -0.00    -0.03  -0.22  -0.23    -0.02  -0.10  -0.10
    67   6     0.00   0.00   0.00     0.05   0.13   0.06     0.03   0.06   0.02
    68   6    -0.00  -0.00  -0.00    -0.06  -0.21   0.06     0.07   0.21  -0.06
    69   6     0.00   0.00   0.00     0.08   0.09  -0.01    -0.09  -0.08   0.01
    70   1     0.00   0.15   0.05     0.00  -0.01  -0.00     0.06  -0.11   0.03
    71   1    -0.06   0.13  -0.05     0.01  -0.02  -0.00     0.04  -0.17   0.05
    72   1    -0.05  -0.06   0.06     0.01   0.00  -0.00     0.12  -0.03  -0.04
    73   1     0.00  -0.09  -0.04     0.00   0.00   0.00     0.09  -0.08   0.03
    74   1    -0.06   0.05   0.06     0.01   0.01  -0.02    -0.01   0.12   0.01
    75   1    -0.04  -0.05  -0.12    -0.01  -0.01   0.06     0.03   0.00   0.01
    76   1     0.01  -0.00  -0.00    -0.03  -0.00  -0.03    -0.26   0.06   0.08
    77   1    -0.00   0.01  -0.00    -0.00  -0.03   0.02    -0.06  -0.14   0.07
    78   1     0.01  -0.01   0.00    -0.04   0.01  -0.00    -0.38   0.02   0.05
    79   1    -0.04   0.00  -0.03     0.01   0.00   0.00     0.01   0.01  -0.00
    80   1     0.10   0.01   0.06    -0.00  -0.00   0.00     0.00   0.00   0.00
    81   1    -0.01   0.02   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
    82   1    -0.08  -0.08  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.01
    83   1     0.07   0.00   0.04     0.01   0.00  -0.00    -0.01  -0.02   0.02
    84   1     0.04   0.00   0.03    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
    85   1    -0.05  -0.07   0.03    -0.00  -0.00  -0.00     0.01   0.00   0.00
    86   1    -0.04  -0.02  -0.00     0.01   0.00  -0.00     0.01  -0.01   0.02
    87   1    -0.05   0.01  -0.02     0.00  -0.00   0.00     0.01  -0.02  -0.00
    88   1     0.27  -0.07   0.09    -0.00   0.00   0.00     0.00   0.01   0.00
    89   1    -0.03   0.00  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.01
    90   1    -0.15   0.24   0.07     0.00  -0.00   0.00     0.00  -0.00  -0.01
    91   1     0.24  -0.07   0.05     0.00   0.00   0.00     0.01  -0.00   0.01
    92   1     0.07  -0.04   0.02    -0.00   0.00  -0.00    -0.02   0.01  -0.01
    93   1    -0.10   0.23   0.12    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    94   1    -0.03   0.02   0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    95   1     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.04  -0.04  -0.00
    96   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
    97   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.05   0.05  -0.00
    98   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.03  -0.02
    99   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.02   0.00
   100   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.00  -0.02
   101   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.03  -0.00  -0.02
   102   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.04  -0.03   0.01
   103   1    -0.00  -0.01  -0.01    -0.06  -0.32  -0.26    -0.03  -0.13  -0.11
   104   1    -0.00  -0.01  -0.01    -0.15  -0.14  -0.04    -0.08  -0.06  -0.02
   105   1     0.01   0.01  -0.00     0.28   0.37  -0.02     0.11   0.13  -0.00
   106   1     0.00   0.00  -0.00     0.01   0.04  -0.12     0.01   0.03  -0.04
   107   1     0.00   0.00  -0.00     0.17   0.06  -0.10     0.08   0.05  -0.03
   108   1    -0.00  -0.00   0.00    -0.11  -0.11  -0.04     0.12   0.13   0.05
   109   1    -0.00  -0.00  -0.00    -0.11  -0.24   0.07     0.11   0.30  -0.08
   110   1     0.00   0.00  -0.00     0.27   0.14   0.05    -0.25  -0.14  -0.05
   111   1    -0.00  -0.00  -0.00     0.11   0.01   0.07    -0.13  -0.04  -0.07
   112   1     0.00   0.00  -0.00     0.10  -0.03   0.01    -0.09   0.01  -0.01
   113  17     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.01
                    178                    179                    180
                      A                      A                      A
 Frequencies --   1047.3541              1048.2379              1048.6478
 Red. masses --      2.1408                 2.1564                 2.1383
 Frc consts  --      1.3836                 1.3961                 1.3854
 IR Inten    --      9.0663                 2.7640                 1.8891
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    24   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   7    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.00   0.00   0.00
    27   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00
    29   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    31   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.02   0.00
    32   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.02   0.02   0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    34   6    -0.01   0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.02   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    36   6     0.02   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    37   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    38   6    -0.00  -0.00   0.00     0.04   0.07  -0.04     0.01   0.02  -0.01
    39   6    -0.00  -0.00  -0.00     0.11   0.01   0.07     0.03   0.00   0.02
    40   6     0.00   0.00  -0.00    -0.06  -0.11   0.07    -0.01  -0.02   0.02
    41   6     0.00  -0.00   0.00    -0.06   0.01  -0.05    -0.01   0.00  -0.01
    42   6     0.00   0.00  -0.00    -0.05  -0.06   0.02    -0.01  -0.01   0.00
    43   6     0.00  -0.00   0.00    -0.07   0.05  -0.10    -0.02   0.01  -0.02
    44   6    -0.00  -0.00   0.00     0.09   0.08  -0.01     0.02   0.02  -0.00
    45   6    -0.00   0.00  -0.00     0.05  -0.03   0.07     0.01  -0.01   0.02
    46   6    -0.00   0.00   0.00    -0.00   0.02   0.01     0.01  -0.08  -0.06
    47   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01     0.12  -0.04   0.04
    48   6     0.00  -0.00  -0.00     0.00  -0.03  -0.02    -0.00   0.11   0.08
    49   6     0.00   0.00   0.00     0.02  -0.00   0.01    -0.08   0.01  -0.03
    50   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.03   0.06   0.03
    51   6     0.00   0.00   0.00     0.03   0.01   0.02    -0.10  -0.02  -0.07
    52   6    -0.00   0.00   0.00    -0.01   0.02   0.01     0.06  -0.10  -0.04
    53   6    -0.00   0.00  -0.00    -0.02  -0.00  -0.01     0.07   0.01   0.05
    54   6    -0.04  -0.08  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.11   0.00   0.07    -0.00   0.00   0.00    -0.00   0.00   0.00
    56   6     0.05   0.12   0.04     0.00   0.00   0.00     0.00   0.00   0.00
    57   6     0.06  -0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    58   6     0.05   0.06   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    59   6     0.08  -0.07  -0.09     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.09  -0.09   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    61   6    -0.05   0.04   0.06    -0.00   0.00   0.00    -0.00   0.00   0.00
    62   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    63  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.05   0.02
    71   1    -0.00   0.01  -0.00    -0.00   0.01  -0.01    -0.01   0.03   0.00
    72   1    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.04  -0.01  -0.02
    73   1    -0.00   0.01  -0.00    -0.02  -0.03   0.01     0.00   0.00   0.00
    74   1     0.00  -0.01  -0.00    -0.02   0.01  -0.02    -0.00  -0.00  -0.00
    75   1    -0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    76   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    77   1     0.01   0.03   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    78   1     0.05  -0.02  -0.02     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    79   1     0.00  -0.01   0.01    -0.05   0.25  -0.30    -0.01   0.06  -0.07
    80   1    -0.01  -0.00  -0.00     0.19   0.11   0.04     0.04   0.03   0.01
    81   1     0.01   0.01  -0.00    -0.21  -0.15   0.00    -0.05  -0.04  -0.00
    82   1     0.01  -0.01   0.01    -0.16   0.16  -0.35    -0.04   0.04  -0.08
    83   1     0.01   0.01  -0.01    -0.13  -0.29   0.24    -0.03  -0.07   0.05
    84   1     0.01   0.00   0.01    -0.20  -0.04  -0.13    -0.05  -0.01  -0.03
    85   1    -0.01  -0.00  -0.00     0.18   0.06   0.08     0.04   0.01   0.02
    86   1    -0.00   0.01  -0.01    -0.00  -0.26   0.27    -0.00  -0.06   0.06
    87   1     0.00   0.01   0.01     0.05   0.05   0.06    -0.21  -0.21  -0.28
    88   1    -0.00   0.00   0.00    -0.04   0.03   0.01     0.16  -0.15  -0.03
    89   1     0.00  -0.01  -0.00     0.04  -0.05  -0.02    -0.17   0.18   0.09
    90   1     0.01   0.00   0.01     0.07   0.02   0.07    -0.30  -0.09  -0.30
    91   1    -0.00  -0.01  -0.01    -0.00  -0.07  -0.06     0.02   0.27   0.26
    92   1     0.01  -0.00   0.00     0.05  -0.02   0.01    -0.21   0.09  -0.06
    93   1    -0.00   0.00  -0.00    -0.04   0.02  -0.00     0.17  -0.10   0.01
    94   1    -0.00  -0.01  -0.01    -0.04  -0.05  -0.06     0.14   0.22   0.25
    95   1     0.07  -0.30  -0.24     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    96   1    -0.18  -0.10   0.06    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    97   1     0.20   0.15  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    98   1     0.17  -0.23  -0.30     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    99   1     0.12   0.36   0.18     0.00   0.01   0.01     0.00   0.01   0.01
   100   1     0.21   0.02  -0.14     0.01   0.00  -0.00     0.01   0.00  -0.00
   101   1    -0.19  -0.05   0.09    -0.01  -0.00   0.00    -0.01  -0.00   0.00
   102   1    -0.01   0.33   0.22     0.00   0.01   0.01     0.00   0.01   0.01
   103   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   104   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   106   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   107   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   108   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   109   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
   110   1     0.01   0.00   0.00     0.01   0.00   0.00     0.01   0.00   0.00
   111   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   112   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    181                    182                    183
                      A                      A                      A
 Frequencies --   1054.7499              1055.4530              1055.7226
 Red. masses --      1.7892                 1.7964                 1.7936
 Frc consts  --      1.1728                 1.1791                 1.1778
 IR Inten    --      8.4748                 6.3826                 8.1357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.00   0.00   0.00
     6   6     0.00   0.01  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01   0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
    13   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.01   0.00
    14   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00   0.01  -0.00
    15   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   7    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.02   0.02   0.02
    24   7     0.00   0.00   0.00    -0.00   0.02  -0.03    -0.00  -0.01   0.01
    25   7     0.01  -0.03  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00     0.01   0.01   0.00    -0.01  -0.01   0.00
    27   6     0.00  -0.00   0.00    -0.04   0.03  -0.06     0.01  -0.01   0.02
    28   6    -0.00  -0.00   0.00     0.03   0.06  -0.03    -0.01  -0.02   0.01
    29   6     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    30   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    31   6    -0.00  -0.00  -0.00     0.02   0.00   0.01     0.06   0.01   0.04
    32   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.06   0.04
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    34   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.04  -0.04  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   6    -0.03  -0.07  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6     0.02   0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00   0.00  -0.00    -0.02  -0.05   0.04     0.01   0.02  -0.01
    39   6     0.00   0.00   0.00    -0.06  -0.02  -0.03     0.02   0.00   0.01
    40   6    -0.00  -0.00   0.00     0.05   0.08  -0.05    -0.02  -0.03   0.02
    41   6    -0.00   0.00  -0.00     0.02  -0.03   0.05    -0.00   0.01  -0.01
    42   6    -0.00   0.00  -0.00    -0.01  -0.05   0.04     0.00   0.01  -0.01
    43   6     0.00  -0.00   0.00    -0.06   0.04  -0.09     0.02  -0.01   0.03
    44   6    -0.00  -0.00  -0.00     0.06   0.04   0.01    -0.02  -0.01  -0.00
    45   6    -0.00   0.00  -0.00     0.03  -0.03   0.06    -0.01   0.01  -0.02
    46   6     0.00   0.00   0.00    -0.00  -0.02  -0.01    -0.00  -0.05  -0.04
    47   6    -0.00   0.00  -0.00     0.02  -0.01   0.00     0.06  -0.03   0.01
    48   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.01   0.08   0.06
    49   6     0.00   0.00   0.00    -0.01  -0.01  -0.01    -0.03  -0.03  -0.04
    50   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.05  -0.04
    51   6    -0.00  -0.00  -0.00     0.03   0.00   0.02     0.10   0.01   0.06
    52   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.05   0.06   0.02
    53   6     0.00   0.00   0.00    -0.02  -0.00  -0.01    -0.06  -0.02  -0.05
    54   6     0.02   0.07   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.07   0.01  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
    56   6    -0.05  -0.10  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.02   0.04   0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    58   6     0.00   0.05   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    59   6     0.07  -0.05  -0.08     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.06  -0.04   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    61   6    -0.04   0.04   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    64   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    65   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    67   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    68   6     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   1    -0.00  -0.01   0.00    -0.01   0.03  -0.00    -0.01   0.00   0.00
    71   1    -0.00  -0.01   0.00    -0.01   0.03  -0.01    -0.01   0.01  -0.02
    72   1     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.01  -0.00   0.01
    73   1    -0.00  -0.01  -0.00     0.02   0.02  -0.00     0.01   0.03   0.01
    74   1    -0.01   0.00   0.00     0.01  -0.01  -0.01     0.02  -0.01   0.00
    75   1    -0.00  -0.01  -0.00     0.01   0.02   0.03     0.00   0.02   0.01
    76   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    77   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    78   1    -0.03   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    79   1    -0.00   0.00  -0.01     0.09  -0.25   0.33    -0.02   0.07  -0.10
    80   1     0.00   0.00  -0.00    -0.13  -0.10   0.00     0.03   0.03   0.00
    81   1    -0.00  -0.00  -0.00     0.18   0.12   0.01    -0.06  -0.04  -0.01
    82   1    -0.00   0.00  -0.01     0.11  -0.19   0.33    -0.03   0.06  -0.09
    83   1     0.00   0.01  -0.00    -0.09  -0.29   0.27     0.03   0.09  -0.08
    84   1     0.00   0.00   0.00    -0.19  -0.05  -0.11     0.06   0.02   0.03
    85   1    -0.00  -0.00  -0.00     0.14   0.02   0.09    -0.05  -0.01  -0.03
    86   1    -0.00   0.01  -0.01    -0.03  -0.31   0.30     0.01   0.10  -0.09
    87   1     0.00   0.00   0.00    -0.07  -0.06  -0.08    -0.23  -0.19  -0.27
    88   1    -0.00   0.00   0.00     0.03  -0.04  -0.01     0.09  -0.12  -0.04
    89   1     0.00  -0.00  -0.00    -0.04   0.04   0.02    -0.15   0.14   0.06
    90   1     0.00   0.00   0.00    -0.08  -0.04  -0.08    -0.24  -0.12  -0.27
    91   1     0.00   0.00   0.00    -0.02  -0.08  -0.09    -0.07  -0.29  -0.30
    92   1    -0.00   0.00  -0.00     0.06  -0.03   0.01     0.20  -0.10   0.05
    93   1     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.16   0.07  -0.04
    94   1     0.00   0.00   0.00    -0.04  -0.09  -0.09    -0.14  -0.30  -0.31
    95   1    -0.11   0.33   0.29    -0.00   0.01   0.01    -0.00   0.00   0.00
    96   1     0.14   0.11  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    97   1    -0.18  -0.13   0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    98   1    -0.14   0.28   0.30    -0.00   0.01   0.01    -0.00   0.00   0.00
    99   1     0.07   0.36   0.21     0.00   0.01   0.00     0.00   0.00   0.00
   100   1     0.19   0.03  -0.12     0.00   0.00  -0.00     0.00   0.00  -0.00
   101   1    -0.14  -0.01   0.09    -0.00  -0.00   0.00    -0.00   0.00   0.00
   102   1     0.01   0.38   0.23     0.00   0.01   0.01     0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   105   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   106   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   107   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   108   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   109   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
   110   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   112   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   113  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    184                    185                    186
                      A                      A                      A
 Frequencies --   1064.0820              1070.8706              1120.3587
 Red. masses --      4.4803                 2.6055                 1.9662
 Frc consts  --      2.9889                 1.7604                 1.4541
 IR Inten    --    108.7233                13.3615                22.0580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.02  -0.00     0.00  -0.00  -0.00
     2   6     0.04  -0.05  -0.01     0.06   0.09  -0.01     0.01   0.00  -0.00
     3   6     0.01   0.05   0.00    -0.06  -0.12   0.00    -0.01  -0.00   0.00
     4   6    -0.07   0.07   0.00    -0.05   0.02   0.00    -0.01   0.00   0.00
     5   6    -0.03  -0.05   0.00     0.06   0.06  -0.01     0.00   0.00  -0.00
     6   6     0.03  -0.01   0.00    -0.05  -0.11   0.01    -0.00  -0.00   0.00
     7   6    -0.03   0.08   0.00     0.03  -0.10  -0.01    -0.00   0.01  -0.00
     8   6    -0.12  -0.04  -0.05    -0.05  -0.03  -0.04    -0.01   0.00  -0.00
     9   6    -0.06  -0.06   0.04    -0.08  -0.09   0.04     0.01  -0.01   0.00
    10   6    -0.03   0.12  -0.04     0.02   0.02  -0.01     0.00  -0.00   0.00
    11   6     0.10  -0.10   0.01     0.02   0.10   0.02     0.01  -0.00   0.00
    12   6     0.00  -0.01  -0.01     0.01   0.03   0.01     0.00   0.00   0.00
    13   6    -0.02   0.14   0.02     0.05  -0.07   0.01    -0.00   0.00  -0.00
    14   6     0.03  -0.05   0.01    -0.04   0.08   0.00     0.00  -0.00   0.00
    15   7     0.11  -0.07   0.01     0.03   0.02  -0.01    -0.00   0.00  -0.00
    16   6     0.05   0.02  -0.02     0.04   0.04  -0.03    -0.00  -0.00   0.00
    17   6     0.03  -0.04   0.01     0.03  -0.02   0.00     0.00  -0.00   0.00
    18   7     0.04  -0.02  -0.00     0.05   0.02  -0.02     0.00   0.00  -0.00
    19   6    -0.02   0.04  -0.01    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.01  -0.04   0.02    -0.01  -0.01   0.01     0.00  -0.00   0.00
    21   6    -0.01   0.00   0.00    -0.01   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.02  -0.00    -0.03  -0.02   0.02     0.00   0.00  -0.00
    23   7    -0.01   0.02   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    24   7    -0.00   0.00  -0.00    -0.02  -0.02  -0.01     0.00  -0.00   0.00
    25   7     0.02   0.01  -0.01     0.01   0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.03  -0.03   0.00    -0.00  -0.00  -0.00
    27   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.02  -0.00  -0.02    -0.00  -0.00  -0.00
    30   6    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.00   0.00
    31   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    33   6    -0.02   0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    34   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    35   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    36   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    37   6     0.01  -0.00  -0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    38   6     0.00  -0.00   0.00     0.03   0.02   0.00     0.00   0.00   0.00
    39   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    40   6     0.00   0.00  -0.00    -0.01  -0.02   0.01    -0.00  -0.00  -0.00
    41   6     0.00  -0.00   0.00     0.02   0.02  -0.00     0.00   0.00   0.00
    42   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
    43   6    -0.00   0.00  -0.00    -0.00   0.01  -0.01    -0.00  -0.00  -0.00
    44   6     0.00   0.00   0.00    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    45   6     0.00  -0.00   0.00     0.03   0.01   0.01     0.00   0.00   0.00
    46   6     0.02  -0.02  -0.01    -0.00   0.01   0.01     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    48   6    -0.00   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.00   0.00
    49   6     0.01  -0.01  -0.01     0.00   0.01   0.00     0.00  -0.00  -0.00
    50   6     0.01  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    51   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    52   6    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    54   6    -0.02  -0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    55   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    56   6     0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    57   6    -0.01  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    58   6    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    59   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    60   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    61   6    -0.02  -0.00   0.01    -0.01  -0.00   0.01     0.00   0.00  -0.00
    62   8     0.01  -0.00  -0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
    63  15     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    64   8    -0.02  -0.05  -0.13    -0.01  -0.01  -0.03    -0.01  -0.01   0.00
    65   8    -0.04   0.17  -0.02    -0.01   0.04  -0.00    -0.04   0.01  -0.02
    66   6     0.02   0.12   0.11     0.00   0.02   0.02     0.04   0.05  -0.04
    67   6    -0.03  -0.07  -0.01    -0.01  -0.01  -0.00    -0.04  -0.04   0.05
    68   6    -0.07  -0.19   0.06    -0.02  -0.04   0.01     0.18  -0.01   0.07
    69   6     0.08   0.06  -0.00     0.02   0.01   0.00    -0.16   0.06  -0.07
    70   1     0.14  -0.27   0.06    -0.09   0.45  -0.07     0.01   0.01   0.00
    71   1     0.07  -0.28   0.07    -0.02   0.23  -0.05     0.01  -0.01  -0.00
    72   1     0.14  -0.03  -0.04    -0.21  -0.10   0.06    -0.04   0.00   0.01
    73   1     0.01  -0.24  -0.04     0.22   0.41   0.13    -0.00  -0.01  -0.00
    74   1    -0.14   0.15   0.02     0.26  -0.08   0.00    -0.02   0.01  -0.00
    75   1     0.04  -0.04  -0.07     0.10   0.29   0.15     0.01   0.00  -0.01
    76   1    -0.17   0.06   0.04    -0.10   0.01   0.04    -0.01   0.00   0.01
    77   1    -0.07  -0.12   0.07    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    78   1    -0.22   0.03   0.03    -0.21  -0.01   0.05    -0.02   0.00   0.00
    79   1     0.00  -0.01   0.01     0.03   0.03  -0.01     0.00   0.01  -0.00
    80   1    -0.01  -0.00  -0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    81   1     0.01   0.00   0.00    -0.05  -0.03  -0.01    -0.01  -0.00  -0.00
    82   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01  -0.00   0.01
    83   1    -0.00  -0.00   0.00     0.03   0.06  -0.03     0.01   0.01  -0.01
    84   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01    -0.01  -0.01  -0.00
    85   1     0.00   0.00   0.00    -0.05  -0.00  -0.04    -0.01   0.00  -0.01
    86   1    -0.00  -0.01   0.01     0.04   0.05  -0.02     0.00  -0.00   0.01
    87   1     0.00  -0.03  -0.02     0.03   0.02   0.03    -0.00  -0.01  -0.01
    88   1    -0.00   0.01   0.01    -0.01   0.01   0.00    -0.01   0.02   0.01
    89   1    -0.04   0.03   0.01     0.03  -0.02  -0.01    -0.01   0.01  -0.00
    90   1     0.01  -0.01  -0.02     0.02   0.01   0.04     0.01  -0.00   0.01
    91   1     0.00  -0.05  -0.03     0.00   0.02   0.02     0.00  -0.01  -0.01
    92   1    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    93   1    -0.04   0.01  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    94   1     0.01  -0.04  -0.03     0.00   0.02   0.02     0.01   0.00   0.00
    95   1    -0.02  -0.01   0.00    -0.02   0.01   0.02     0.00   0.00   0.00
    96   1     0.01   0.02   0.00     0.02   0.02   0.00    -0.01  -0.01  -0.00
    97   1     0.02   0.01  -0.01     0.01   0.01  -0.00    -0.01  -0.00   0.00
    98   1    -0.01  -0.00   0.01    -0.02   0.02   0.02     0.01  -0.00  -0.00
    99   1    -0.01  -0.01   0.01    -0.01   0.00   0.01     0.00   0.01   0.00
   100   1     0.03   0.01  -0.01     0.02   0.01  -0.01    -0.01  -0.00   0.00
   101   1     0.01  -0.01  -0.01     0.01  -0.00  -0.01    -0.01   0.00   0.01
   102   1    -0.02   0.00   0.01    -0.01   0.01   0.01     0.00  -0.00  -0.00
   103   1     0.03   0.16   0.13     0.01   0.03   0.02     0.05   0.04  -0.03
   104   1     0.09   0.07   0.01     0.02   0.01  -0.00     0.05   0.03  -0.07
   105   1    -0.09  -0.10   0.00    -0.02  -0.02   0.00     0.09   0.15  -0.01
   106   1    -0.03  -0.05   0.02    -0.01  -0.01   0.00    -0.09  -0.13  -0.11
   107   1    -0.10  -0.08   0.02    -0.02  -0.02   0.00    -0.06  -0.17  -0.09
   108   1    -0.12  -0.07  -0.06    -0.02  -0.00  -0.01     0.15  -0.07   0.05
   109   1    -0.10  -0.26   0.07    -0.02  -0.05   0.01     0.16  -0.08   0.09
   110   1     0.14   0.08   0.04     0.02   0.01   0.01     0.43   0.21   0.06
   111   1     0.14   0.08   0.05     0.03   0.02   0.01    -0.25  -0.39   0.12
   112   1     0.09   0.03   0.01     0.02   0.01   0.00    -0.23  -0.44   0.00
   113  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    187                    188                    189
                      A                      A                      A
 Frequencies --   1121.5214              1126.0933              1128.5145
 Red. masses --      1.9962                 2.0731                 2.0888
 Frc consts  --      1.4794                 1.5489                 1.5673
 IR Inten    --     31.4174                 7.8036                 7.2384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.01   0.01   0.00    -0.08   0.05   0.00
     2   6    -0.01  -0.00   0.00    -0.02  -0.01   0.00    -0.03  -0.03   0.01
     3   6     0.01   0.00  -0.00     0.01  -0.00  -0.00     0.03  -0.00  -0.00
     4   6     0.01  -0.00  -0.00     0.02   0.00   0.00     0.01   0.01  -0.00
     5   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.01  -0.01  -0.00
     6   6     0.01   0.01  -0.00     0.01   0.01  -0.00     0.03   0.03  -0.01
     7   6     0.00  -0.01   0.00     0.01  -0.01   0.00     0.02  -0.03   0.01
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
     9   6    -0.01   0.01  -0.01    -0.02   0.02  -0.01    -0.02  -0.01   0.00
    10   6    -0.00   0.00  -0.00     0.00   0.02  -0.01    -0.02   0.03  -0.01
    11   6    -0.01   0.01  -0.00    -0.00   0.01  -0.00    -0.02   0.02  -0.00
    12   6    -0.01  -0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.02  -0.01   0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   7     0.00  -0.00   0.00     0.00  -0.03   0.02     0.01  -0.01  -0.00
    16   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    17   6    -0.01   0.01  -0.00    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   7    -0.00  -0.01   0.00     0.01  -0.03   0.01    -0.00   0.00  -0.00
    19   6     0.00  -0.00  -0.00     0.02   0.02  -0.01    -0.00  -0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.03   0.04  -0.01    -0.00  -0.01   0.00
    21   6    -0.01  -0.00   0.00    -0.08  -0.05   0.04     0.02   0.01  -0.01
    22   6    -0.00  -0.01   0.00     0.01  -0.03   0.01    -0.00   0.00  -0.00
    23   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.02   0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   7    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.01   0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    27   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.04  -0.02   0.01
    31   6     0.01  -0.00   0.00     0.02  -0.00   0.00     0.09  -0.02   0.03
    32   6     0.00  -0.01  -0.00     0.01  -0.01  -0.01     0.05  -0.07  -0.03
    33   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.03  -0.03  -0.01
    34   6     0.00   0.00  -0.00     0.04   0.01  -0.02    -0.01  -0.00   0.00
    35   6     0.00  -0.00  -0.00     0.07  -0.00  -0.05    -0.02   0.00   0.01
    36   6     0.00   0.00  -0.00     0.06   0.06  -0.00    -0.01  -0.01   0.00
    37   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.01  -0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    39   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    40   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    41   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    42   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    43   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    46   6    -0.00   0.01   0.00    -0.01   0.01   0.01    -0.06   0.08   0.03
    47   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.03  -0.04  -0.01
    48   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.00
    49   6    -0.01   0.00   0.00    -0.02   0.01   0.00    -0.09   0.06   0.00
    50   6    -0.01   0.00  -0.00    -0.02   0.01  -0.00    -0.08   0.07   0.00
    51   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02  -0.00
    52   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.04  -0.02   0.01
    53   6    -0.01   0.00  -0.00    -0.02   0.01  -0.00    -0.09   0.03  -0.02
    54   6    -0.00  -0.00   0.00    -0.08  -0.07   0.01     0.02   0.01  -0.00
    55   6     0.00   0.00  -0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
    56   6     0.00   0.00  -0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    57   6    -0.01  -0.00   0.00    -0.09  -0.04   0.03     0.02   0.01  -0.01
    58   6    -0.01  -0.00   0.00    -0.09  -0.04   0.04     0.02   0.01  -0.01
    59   6     0.00   0.00  -0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    60   6     0.00   0.00  -0.00     0.04   0.01  -0.02    -0.01  -0.00   0.01
    61   6    -0.01  -0.00   0.00    -0.09  -0.00   0.06     0.02   0.00  -0.01
    62   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    63  15    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    64   8    -0.03  -0.01   0.03     0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    65   8     0.01  -0.02   0.00    -0.01   0.01  -0.00    -0.00   0.01  -0.00
    66   6     0.11   0.12  -0.11    -0.01  -0.01   0.01    -0.01  -0.00   0.01
    67   6    -0.09  -0.08   0.13     0.01   0.00  -0.01     0.00   0.00  -0.01
    68   6    -0.07   0.01  -0.03     0.02  -0.01   0.01     0.01  -0.01   0.01
    69   6     0.06  -0.02   0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    70   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.00     0.04  -0.22   0.01
    71   1    -0.01   0.02  -0.00    -0.01   0.01   0.00     0.04  -0.09   0.02
    72   1     0.05  -0.00  -0.01     0.10  -0.01  -0.02     0.26  -0.00  -0.05
    73   1     0.00   0.02   0.01     0.02   0.04   0.02    -0.01   0.04   0.02
    74   1     0.03  -0.01   0.00     0.03  -0.01   0.00     0.15  -0.02   0.03
    75   1    -0.00   0.00   0.01     0.00   0.01   0.01    -0.01   0.04   0.00
    76   1     0.01  -0.00   0.00     0.09   0.01  -0.03    -0.03   0.00   0.01
    77   1     0.00   0.02  -0.01     0.05   0.16  -0.10    -0.02  -0.04   0.03
    78   1     0.04  -0.01  -0.00     0.39  -0.05  -0.04    -0.09   0.01   0.01
    79   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00   0.01  -0.01
    80   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.01   0.01
    81   1     0.01   0.00   0.01     0.01   0.00   0.01    -0.02  -0.00  -0.00
    82   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.01
    83   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00   0.00   0.00
    84   1     0.01   0.01   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    85   1     0.01  -0.00   0.01     0.02  -0.00   0.02    -0.01   0.00  -0.01
    86   1    -0.00   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01   0.01
    87   1     0.00   0.01   0.01     0.01   0.03   0.03     0.06   0.15   0.15
    88   1     0.01  -0.02  -0.01     0.02  -0.06  -0.04     0.12  -0.35  -0.21
    89   1     0.02  -0.01   0.00     0.04  -0.02   0.01     0.24  -0.13   0.03
    90   1    -0.01   0.00  -0.01    -0.04   0.00  -0.02    -0.21   0.01  -0.13
    91   1    -0.00   0.01   0.01    -0.01   0.03   0.03    -0.06   0.18   0.13
    92   1     0.01  -0.01  -0.00     0.03  -0.03  -0.01     0.18  -0.18  -0.05
    93   1     0.02  -0.00   0.01     0.07  -0.01   0.03     0.37  -0.03   0.19
    94   1    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02    -0.13  -0.09  -0.14
    95   1    -0.00  -0.01  -0.00    -0.03  -0.18  -0.09     0.00   0.04   0.02
    96   1     0.01   0.02   0.00     0.23   0.32   0.06    -0.05  -0.07  -0.01
    97   1     0.01   0.00  -0.01     0.23   0.05  -0.13    -0.05  -0.01   0.03
    98   1    -0.01   0.00   0.01    -0.15   0.07   0.17     0.03  -0.02  -0.04
    99   1    -0.01  -0.01  -0.00    -0.13  -0.19  -0.05     0.03   0.04   0.01
   100   1     0.01   0.01  -0.00     0.21   0.13  -0.06    -0.04  -0.03   0.01
   101   1     0.02  -0.01  -0.01     0.28  -0.11  -0.26    -0.06   0.02   0.06
   102   1    -0.00   0.00   0.01    -0.07   0.13   0.13     0.01  -0.03  -0.03
   103   1     0.12   0.09  -0.09    -0.01  -0.00   0.01    -0.01  -0.00   0.01
   104   1     0.10   0.08  -0.16    -0.00  -0.00   0.01    -0.00  -0.00   0.01
   105   1     0.24   0.39  -0.03    -0.02  -0.03   0.00    -0.01  -0.02   0.00
   106   1    -0.22  -0.34  -0.28     0.02   0.02   0.02     0.01   0.02   0.01
   107   1    -0.13  -0.42  -0.24     0.01   0.03   0.02     0.00   0.02   0.01
   108   1    -0.05   0.02  -0.00     0.01  -0.01   0.00     0.01  -0.00  -0.00
   109   1    -0.07   0.06  -0.04     0.01  -0.02   0.01     0.01  -0.02   0.01
   110   1    -0.17  -0.09  -0.03     0.04   0.02   0.01     0.04   0.02   0.01
   111   1     0.08   0.14  -0.06    -0.02  -0.03   0.01    -0.01  -0.03   0.01
   112   1     0.10   0.18  -0.00    -0.02  -0.04   0.00    -0.02  -0.04   0.00
   113  17    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
                    190                    191                    192
                      A                      A                      A
 Frequencies --   1129.9349              1143.8793              1147.3077
 Red. masses --      2.0535                 1.7470                 1.4981
 Frc consts  --      1.5447                 1.3468                 1.1618
 IR Inten    --      8.7292                11.7532                 6.1538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
     2   6     0.02   0.01  -0.01    -0.09  -0.03   0.01    -0.00  -0.00   0.00
     3   6    -0.02  -0.03   0.01     0.05   0.02  -0.01     0.00  -0.00  -0.00
     4   6    -0.01  -0.02   0.00     0.07   0.04  -0.01     0.00   0.00  -0.00
     5   6     0.04   0.02  -0.00    -0.10  -0.01   0.01    -0.00  -0.00   0.00
     6   6    -0.02   0.00   0.00     0.06  -0.02  -0.00     0.00  -0.00  -0.00
     7   6    -0.03   0.00  -0.01     0.03  -0.05   0.01     0.00  -0.00   0.00
     8   6    -0.01   0.01   0.00     0.03  -0.04  -0.00    -0.00  -0.00  -0.00
     9   6     0.04   0.03  -0.01    -0.04  -0.02   0.00    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.01    -0.02   0.05  -0.02     0.00   0.00  -0.00
    11   6     0.03  -0.04   0.00    -0.05   0.02  -0.01     0.00   0.00   0.00
    12   6     0.08   0.03   0.02     0.01  -0.01   0.00    -0.00   0.00  -0.00
    13   6    -0.02   0.04  -0.00     0.03   0.01   0.01     0.00   0.00   0.00
    14   6    -0.01  -0.01  -0.00    -0.06   0.03  -0.01    -0.00   0.00  -0.00
    15   7    -0.01   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    16   6    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00  -0.00
    17   6    -0.01   0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    21   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   7    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.00  -0.00  -0.00
    24   7     0.03   0.01   0.01     0.02   0.01   0.01     0.00  -0.00   0.00
    25   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.03   0.02
    26   6    -0.03  -0.01  -0.02     0.01   0.02  -0.01     0.00   0.00   0.00
    27   6    -0.07  -0.00  -0.06    -0.02   0.00  -0.02     0.00   0.00  -0.00
    28   6    -0.07  -0.06   0.01    -0.02  -0.02   0.00    -0.00   0.00  -0.00
    29   6    -0.03  -0.02   0.00    -0.00  -0.01   0.01    -0.00  -0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00  -0.02  -0.01    -0.00   0.00  -0.00
    31   6     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00   0.00   0.00
    32   6     0.01  -0.01  -0.00    -0.01   0.02   0.01     0.00   0.00   0.00
    33   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    34   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
    35   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.01  -0.04  -0.02
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    37   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.05   0.02  -0.02
    38   6     0.08   0.06  -0.01     0.02   0.02  -0.01     0.00   0.00  -0.00
    39   6    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    40   6    -0.03  -0.01  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    41   6     0.09   0.04   0.03     0.03   0.01   0.01     0.00   0.00   0.00
    42   6     0.09   0.04   0.03     0.02   0.01   0.00    -0.00  -0.00  -0.00
    43   6    -0.03  -0.02  -0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    44   6    -0.04  -0.01  -0.02    -0.01   0.00  -0.01     0.00  -0.00   0.00
    45   6     0.08   0.01   0.05     0.01  -0.00   0.02    -0.00   0.00  -0.00
    46   6    -0.01   0.01   0.00     0.01  -0.02  -0.01    -0.00   0.00   0.00
    47   6     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    48   6     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    49   6    -0.01   0.01   0.00     0.02  -0.01   0.00    -0.00   0.00  -0.00
    50   6    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
    52   6     0.00  -0.00   0.00    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    53   6    -0.01   0.00  -0.00     0.02   0.00   0.01     0.00   0.00   0.00
    54   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.04  -0.07  -0.02
    55   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.05   0.02
    56   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.03   0.01  -0.02
    57   6    -0.01  -0.00   0.00     0.01   0.00  -0.00    -0.06  -0.01   0.03
    58   6    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.05   0.04  -0.01
    59   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.02   0.01
    60   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.04
    61   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.06  -0.03  -0.06
    62   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    63  15    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    64   8     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    65   8     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00  -0.01    -0.00   0.00   0.01    -0.00   0.00   0.00
    67   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    68   6    -0.01   0.01  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    69   6     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   1     0.03   0.01   0.03    -0.11   0.01  -0.01    -0.00   0.00   0.00
    71   1     0.04   0.00  -0.01    -0.25   0.34  -0.02    -0.00   0.00   0.00
    72   1    -0.17   0.02   0.02     0.64  -0.10  -0.08     0.01  -0.00  -0.00
    73   1    -0.06  -0.20  -0.07    -0.06  -0.00  -0.02     0.00   0.00   0.00
    74   1    -0.29   0.06  -0.04     0.31  -0.02   0.07     0.00  -0.00   0.00
    75   1    -0.03  -0.05  -0.05    -0.11  -0.03  -0.06     0.00   0.00   0.00
    76   1     0.03  -0.00  -0.01    -0.01   0.00   0.00    -0.00  -0.00   0.00
    77   1     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.01  -0.02  -0.01
    78   1     0.07   0.00  -0.01     0.03  -0.00  -0.00     0.01  -0.01  -0.02
    79   1     0.02   0.16  -0.15    -0.01   0.07  -0.08    -0.00   0.00  -0.00
    80   1    -0.25  -0.31   0.13    -0.10  -0.13   0.06    -0.00  -0.00   0.00
    81   1    -0.24  -0.07  -0.12    -0.09  -0.02  -0.05    -0.00  -0.00  -0.00
    82   1     0.14  -0.04   0.19     0.05  -0.02   0.08     0.00  -0.00   0.00
    83   1     0.14   0.16  -0.09     0.03   0.04  -0.01    -0.00  -0.00   0.00
    84   1    -0.22  -0.14  -0.03    -0.07  -0.05  -0.00     0.00   0.00   0.00
    85   1    -0.28   0.06  -0.30    -0.10   0.03  -0.11     0.00  -0.00   0.00
    86   1     0.05  -0.13   0.17    -0.01  -0.09   0.09    -0.00   0.00  -0.00
    87   1     0.01   0.02   0.02    -0.03  -0.04  -0.05     0.00   0.00   0.00
    88   1     0.01  -0.04  -0.02    -0.03   0.09   0.06     0.00  -0.00  -0.00
    89   1     0.04  -0.02   0.01    -0.05   0.03  -0.01     0.00  -0.00   0.00
    90   1    -0.03   0.00  -0.02     0.05   0.00   0.04    -0.00  -0.00  -0.00
    91   1    -0.01   0.02   0.01     0.01  -0.06  -0.04    -0.00  -0.00  -0.00
    92   1     0.03  -0.03  -0.01    -0.07   0.08   0.03    -0.00   0.00   0.00
    93   1     0.04  -0.00   0.02    -0.13   0.00  -0.07    -0.00  -0.00  -0.00
    94   1    -0.02  -0.02  -0.02     0.05   0.09   0.09     0.00   0.00   0.00
    95   1    -0.00  -0.01  -0.01    -0.00   0.02   0.02     0.02  -0.20  -0.14
    96   1     0.02   0.02   0.00    -0.02  -0.03  -0.01     0.18   0.31   0.08
    97   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.32   0.06  -0.18
    98   1    -0.01   0.00   0.01     0.01  -0.01  -0.01    -0.16   0.20   0.26
    99   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.11   0.32   0.15
   100   1     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.08
   101   1     0.02  -0.01  -0.02    -0.02   0.01   0.02    -0.24   0.14   0.26
   102   1    -0.00   0.01   0.01     0.00  -0.02  -0.01     0.04  -0.20  -0.15
   103   1     0.00   0.00  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
   104   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   105   1     0.01   0.02  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   106   1    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.00   0.00   0.00
   107   1    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
   108   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1    -0.01   0.02  -0.01     0.00  -0.02   0.01     0.00  -0.00   0.00
   110   1    -0.03  -0.02  -0.01     0.02   0.01   0.00     0.00   0.00   0.00
   111   1     0.01   0.02  -0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
   112   1     0.02   0.03  -0.00    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00
   113  17    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
                    193                    194                    195
                      A                      A                      A
 Frequencies --   1147.7148              1148.1865              1157.0875
 Red. masses --      1.5076                 1.5111                 2.1200
 Frc consts  --      1.1701                 1.1738                 1.6723
 IR Inten    --      3.6060                 8.0472                16.7867
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.05  -0.01   0.01
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.07   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.09  -0.05   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03  -0.03  -0.01
     8   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.10   0.05  -0.01
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02   0.14  -0.05
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.08  -0.03   0.01
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.01
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.07  -0.01   0.01
    15   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.03
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02  -0.03   0.01
    17   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.07   0.03  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.02
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    20   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    21   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    23   7     0.01   0.01   0.02     0.01   0.02   0.02    -0.00   0.00   0.00
    24   7    -0.00   0.02  -0.02     0.00  -0.02   0.02    -0.01  -0.01  -0.01
    25   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.02   0.01  -0.01
    26   6    -0.04  -0.02  -0.01     0.03   0.01   0.01    -0.01  -0.02   0.01
    27   6    -0.01  -0.03   0.02     0.01   0.02  -0.02     0.01  -0.00   0.01
    28   6     0.01  -0.02   0.03    -0.01   0.02  -0.03     0.01   0.01  -0.00
    29   6     0.04   0.02   0.01    -0.03  -0.01  -0.01    -0.00   0.00  -0.00
    30   6     0.03  -0.02   0.00     0.04  -0.03   0.00     0.00   0.00   0.00
    31   6    -0.00  -0.02  -0.02    -0.01  -0.03  -0.03     0.00  -0.00   0.00
    32   6    -0.02  -0.01  -0.02    -0.03  -0.01  -0.03     0.00  -0.01  -0.00
    33   6    -0.03   0.02   0.00    -0.03   0.03   0.00    -0.01   0.00  -0.01
    34   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
    35   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    36   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    37   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.01  -0.01
    38   6    -0.04  -0.05   0.02     0.03   0.04  -0.02    -0.01  -0.01   0.00
    39   6     0.01   0.03  -0.02    -0.01  -0.03   0.02     0.00   0.01  -0.00
    40   6     0.02   0.01   0.01    -0.02  -0.01  -0.01     0.00  -0.00   0.00
    41   6    -0.04  -0.01  -0.02     0.04   0.01   0.02    -0.01  -0.00  -0.01
    42   6     0.04   0.03   0.00    -0.03  -0.02  -0.00    -0.01  -0.01  -0.00
    43   6    -0.02  -0.02  -0.00     0.02   0.01   0.00     0.00   0.01  -0.01
    44   6    -0.02   0.02  -0.03     0.01  -0.02   0.03     0.00  -0.00   0.01
    45   6     0.04  -0.01   0.05    -0.03   0.01  -0.04    -0.00   0.01  -0.01
    46   6     0.01  -0.04  -0.03     0.01  -0.05  -0.03     0.00   0.00   0.00
    47   6     0.00   0.03   0.02     0.00   0.03   0.03     0.00  -0.00  -0.00
    48   6    -0.02   0.01  -0.00    -0.02   0.01  -0.00     0.00   0.00   0.00
    49   6     0.04  -0.02   0.01     0.05  -0.02   0.01    -0.00   0.00  -0.00
    50   6    -0.03   0.03   0.01    -0.03   0.04   0.01    -0.00   0.01   0.00
    51   6     0.01  -0.02  -0.00     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    52   6     0.03   0.01   0.02     0.03   0.01   0.03     0.00   0.00   0.00
    53   6    -0.05   0.00  -0.03    -0.06   0.00  -0.03    -0.01  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    55   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    56   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    57   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00  -0.01
    58   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    59   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    60   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    61   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    63  15     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    65   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    67   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    69   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   1    -0.00  -0.01  -0.01     0.00  -0.02  -0.02    -0.14   0.19  -0.00
    71   1    -0.01   0.02   0.00     0.00  -0.00   0.00    -0.17   0.40  -0.05
    72   1     0.02  -0.01  -0.01    -0.01  -0.00  -0.01     0.20  -0.02  -0.02
    73   1    -0.02  -0.02   0.01     0.00   0.01  -0.01     0.19   0.13   0.09
    74   1     0.03  -0.01   0.02     0.01   0.00  -0.01    -0.46   0.02  -0.11
    75   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.20   0.19   0.17
    76   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.02  -0.03
    77   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.10  -0.10   0.08
    78   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.26  -0.00  -0.05
    79   1     0.00  -0.13   0.14    -0.00   0.11  -0.11     0.01  -0.03   0.03
    80   1     0.15   0.21  -0.11    -0.13  -0.18   0.09     0.04   0.05  -0.02
    81   1     0.25   0.07   0.13    -0.20  -0.06  -0.11     0.02   0.00   0.01
    82   1    -0.12   0.11  -0.23     0.10  -0.09   0.19    -0.01   0.01  -0.03
    83   1     0.10   0.21  -0.16    -0.08  -0.17   0.13    -0.01  -0.01  -0.00
    84   1    -0.24  -0.16  -0.03     0.19   0.12   0.02     0.03   0.03  -0.00
    85   1    -0.19   0.07  -0.24     0.15  -0.06   0.18     0.05  -0.02   0.06
    86   1     0.02  -0.13   0.15    -0.02   0.10  -0.12     0.02   0.07  -0.06
    87   1    -0.06  -0.09  -0.10    -0.08  -0.12  -0.13     0.03   0.02   0.03
    88   1    -0.04   0.19   0.13    -0.06   0.25   0.16     0.01  -0.03  -0.02
    89   1    -0.21   0.11  -0.03    -0.25   0.13  -0.04     0.01  -0.00   0.00
    90   1     0.17   0.05   0.15     0.21   0.06   0.19    -0.00   0.00   0.00
    91   1     0.01   0.17   0.15     0.01   0.21   0.19    -0.00   0.02   0.02
    92   1     0.15  -0.16  -0.04     0.19  -0.20  -0.05     0.01  -0.01  -0.00
    93   1     0.21   0.01   0.12     0.26   0.01   0.16     0.05  -0.00   0.02
    94   1    -0.07  -0.08  -0.10    -0.09  -0.10  -0.13    -0.01  -0.02  -0.02
    95   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.09   0.08
    96   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.08  -0.12  -0.03
    97   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.00   0.03
    98   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.02  -0.03
    99   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.03   0.00
   100   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.03   0.00
   101   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.04   0.09
   102   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.11  -0.06
   103   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.01   0.01
   104   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.02
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
   106   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
   107   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.01
   108   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
   109   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
   110   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.01
   111   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.01
   112   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
   113  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    196                    197                    198
                      A                      A                      A
 Frequencies --   1173.0598              1179.6800              1180.8666
 Red. masses --      1.5406                 1.2018                 1.1598
 Frc consts  --      1.2490                 0.9854                 0.9529
 IR Inten    --      7.8436                 6.2095                 5.2667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.04   0.02   0.00    -0.00  -0.00   0.00
     2   6     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00     0.01   0.00  -0.00     0.00   0.01  -0.00
     4   6    -0.01   0.02   0.00     0.01  -0.01   0.00     0.01  -0.00   0.00
     5   6     0.01  -0.02  -0.00     0.02  -0.01  -0.00     0.00  -0.01  -0.00
     6   6    -0.01  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.01  -0.00
     7   6     0.01   0.00   0.00     0.00  -0.02  -0.00     0.00  -0.00   0.00
     8   6     0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.00
     9   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.01    -0.01   0.01  -0.00
    10   6     0.02   0.03  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    13   6     0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00  -0.01  -0.00
    14   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    15   7    -0.03  -0.03   0.02     0.02  -0.00  -0.00     0.01  -0.00   0.00
    16   6     0.01   0.06  -0.03     0.00  -0.02   0.01     0.01  -0.01   0.00
    17   6    -0.02   0.05  -0.02    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    18   7     0.04  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.02  -0.04   0.02     0.01   0.01  -0.01     0.00   0.01  -0.00
    20   6     0.01   0.03  -0.01    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   6    -0.06  -0.02   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.01  -0.06   0.03    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    23   7     0.00  -0.00  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    24   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    25   7     0.02   0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.02   0.02  -0.01
    27   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.02
    28   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    29   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.03  -0.00   0.02
    30   6     0.00  -0.00  -0.00     0.02  -0.03  -0.02     0.00  -0.00  -0.00
    31   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00     0.00   0.02   0.01     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00     0.04  -0.01   0.02     0.00  -0.00   0.00
    34   6     0.04   0.05   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    35   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   6    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   6     0.06  -0.02  -0.05     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
    39   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.03   0.01
    40   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00     0.04   0.02   0.01
    41   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    42   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    43   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.03   0.02   0.01
    44   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.03   0.00  -0.03
    45   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.01   0.00
    46   6    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    47   6    -0.00   0.00   0.00    -0.01   0.04   0.02    -0.00   0.00   0.00
    48   6    -0.00  -0.00  -0.00     0.03  -0.03  -0.01     0.00  -0.00  -0.00
    49   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
    51   6     0.00  -0.00   0.00     0.03  -0.02   0.00     0.00  -0.00   0.00
    52   6    -0.00   0.00  -0.00    -0.03   0.00  -0.02    -0.00   0.00  -0.00
    53   6     0.00   0.00   0.00    -0.01   0.02   0.01     0.00   0.00   0.00
    54   6    -0.02   0.02   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    55   6    -0.02  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    56   6     0.00   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    57   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    58   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    59   6     0.01  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    60   6    -0.02   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    61   6    -0.01  -0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    62   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    64   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    67   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    70   1     0.02  -0.02   0.00     0.02  -0.07   0.01    -0.00   0.00  -0.01
    71   1     0.07  -0.16   0.02     0.07  -0.11   0.01     0.03  -0.06   0.00
    72   1    -0.09   0.01   0.01    -0.05   0.03  -0.00    -0.05   0.01   0.00
    73   1    -0.02  -0.01  -0.01     0.03   0.04   0.02     0.05   0.09   0.04
    74   1     0.03  -0.01   0.01     0.05  -0.00   0.01     0.03  -0.01  -0.01
    75   1    -0.03  -0.04  -0.02    -0.00   0.01   0.01     0.04   0.04   0.03
    76   1    -0.23  -0.01   0.08     0.07   0.01  -0.03     0.03   0.00  -0.01
    77   1     0.27   0.40  -0.27    -0.07  -0.09   0.06    -0.04  -0.05   0.03
    78   1     0.27  -0.08  -0.01     0.02   0.01  -0.01    -0.01   0.00  -0.00
    79   1    -0.01   0.01  -0.02     0.00  -0.01   0.01    -0.08   0.13  -0.21
    80   1    -0.02  -0.02   0.01     0.03   0.04  -0.02    -0.24  -0.31   0.14
    81   1     0.01   0.00   0.00    -0.06  -0.01  -0.03     0.37   0.11   0.19
    82   1    -0.00   0.00  -0.00     0.01  -0.02   0.03    -0.09   0.15  -0.25
    83   1    -0.00  -0.01   0.01     0.01   0.03  -0.02    -0.06  -0.21   0.19
    84   1     0.01   0.00   0.00    -0.03  -0.02  -0.00     0.34   0.21   0.05
    85   1    -0.02   0.01  -0.02     0.01  -0.00   0.01    -0.25   0.07  -0.27
    86   1    -0.01  -0.02   0.02     0.00  -0.00   0.00    -0.05  -0.17   0.14
    87   1    -0.01  -0.01  -0.01    -0.19  -0.10  -0.18    -0.01  -0.00  -0.01
    88   1    -0.01   0.02   0.01    -0.10   0.36   0.22    -0.00   0.01   0.01
    89   1     0.01  -0.01   0.00     0.35  -0.19   0.04     0.01  -0.01  -0.00
    90   1    -0.00  -0.00  -0.01    -0.18  -0.10  -0.19    -0.01  -0.00  -0.01
    91   1     0.00   0.00   0.00     0.05   0.18   0.18     0.00   0.01   0.01
    92   1     0.01  -0.01  -0.00     0.25  -0.25  -0.06     0.02  -0.02  -0.00
    93   1    -0.02   0.00  -0.01    -0.33   0.01  -0.18    -0.03   0.00  -0.01
    94   1     0.00   0.01   0.01     0.04   0.18   0.16     0.00   0.01   0.01
    95   1    -0.12   0.22   0.22    -0.01   0.01   0.01     0.00  -0.01  -0.01
    96   1    -0.19  -0.30  -0.07    -0.02  -0.03  -0.01     0.00   0.01   0.00
    97   1     0.08   0.04  -0.03     0.04   0.01  -0.02    -0.00  -0.00   0.00
    98   1    -0.01   0.05   0.05    -0.01   0.02   0.02     0.00  -0.00  -0.00
    99   1     0.00  -0.04  -0.03    -0.01  -0.03  -0.02    -0.00  -0.00  -0.00
   100   1     0.08   0.03  -0.03     0.04   0.03  -0.01     0.00   0.00   0.00
   101   1    -0.22   0.11   0.22    -0.03   0.01   0.03     0.00  -0.00  -0.00
   102   1    -0.04  -0.26  -0.14    -0.00  -0.02  -0.01     0.00   0.00   0.00
   103   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   104   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   106   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   107   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   108   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   109   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   111   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   112   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   113  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    199                    200                    201
                      A                      A                      A
 Frequencies --   1181.7476              1187.4738              1187.5526
 Red. masses --      1.2162                 1.1027                 1.1044
 Frc consts  --      1.0007                 0.9161                 0.9177
 IR Inten    --      2.5943                 0.0366                 0.0993
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   7     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.01  -0.04   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6     0.01  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7    -0.01   0.03  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.02   0.03  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6    -0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01  -0.01   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    22   6     0.00   0.03  -0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    24   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
    25   7    -0.02  -0.01   0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    27   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    30   6    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    33   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01   0.00
    34   6     0.01   0.01   0.00     0.02   0.01  -0.01     0.00   0.00  -0.00
    35   6    -0.01   0.01   0.02    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    36   6    -0.01  -0.02  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    37   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    39   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    40   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.01  -0.01
    41   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    43   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.01
    44   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.02
    45   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    46   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    47   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.02
    48   6    -0.01   0.01   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
    49   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    51   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.00
    52   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.03   0.00   0.02
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.01
    54   6    -0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    55   6    -0.02  -0.02   0.00     0.02   0.04   0.01     0.00   0.00   0.00
    56   6     0.04   0.01  -0.02    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    57   6    -0.01   0.01   0.02     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    58   6    -0.01  -0.02  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    59   6     0.04   0.02  -0.01     0.03   0.01  -0.01     0.00   0.00  -0.00
    60   6    -0.02   0.00   0.02    -0.03   0.02   0.03    -0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    62   8    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    64   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    65   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    68   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    70   1    -0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.02   0.00
    71   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    72   1    -0.05   0.01   0.01    -0.00   0.00  -0.00     0.00   0.00   0.01
    73   1    -0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    74   1     0.11  -0.00   0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    75   1    -0.03  -0.03  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    76   1     0.21   0.01  -0.07    -0.01   0.00   0.00     0.00   0.00  -0.00
    77   1    -0.17  -0.23   0.15     0.01   0.02  -0.01    -0.00   0.00   0.00
    78   1    -0.02   0.04  -0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    79   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.04  -0.06   0.10
    80   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.13   0.17  -0.08
    81   1    -0.01  -0.00  -0.01     0.01   0.00   0.01    -0.19  -0.05  -0.09
    82   1     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.03  -0.05   0.08
    83   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.03  -0.08   0.07
    84   1    -0.01  -0.01  -0.00    -0.02  -0.01  -0.00     0.20   0.12   0.03
    85   1     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.17   0.05  -0.19
    86   1    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.03  -0.12   0.10
    87   1     0.03   0.02   0.03     0.01   0.01   0.01    -0.13  -0.07  -0.13
    88   1     0.02  -0.07  -0.04     0.01  -0.03  -0.02    -0.08   0.29   0.18
    89   1    -0.08   0.04  -0.01    -0.03   0.02  -0.00     0.29  -0.15   0.04
    90   1     0.04   0.02   0.04     0.01   0.01   0.01    -0.10  -0.05  -0.10
    91   1    -0.01  -0.04  -0.04     0.00   0.01   0.01    -0.03  -0.13  -0.13
    92   1    -0.06   0.06   0.01     0.02  -0.02  -0.01    -0.26   0.27   0.07
    93   1     0.06  -0.00   0.03    -0.03   0.00  -0.02     0.36  -0.00   0.20
    94   1    -0.01  -0.03  -0.03     0.00   0.02   0.02    -0.05  -0.17  -0.16
    95   1    -0.04   0.07   0.07     0.09  -0.17  -0.17     0.01  -0.01  -0.01
    96   1    -0.16  -0.23  -0.04     0.24   0.38   0.08     0.02   0.04   0.01
    97   1     0.37   0.07  -0.21    -0.37  -0.08   0.20    -0.04  -0.01   0.02
    98   1    -0.10   0.20   0.21     0.07  -0.13  -0.14     0.01  -0.01  -0.02
    99   1    -0.05  -0.27  -0.15    -0.04  -0.17  -0.09    -0.00  -0.01  -0.01
   100   1     0.36   0.24  -0.09     0.33   0.21  -0.09     0.03   0.02  -0.01
   101   1    -0.21   0.09   0.20    -0.31   0.15   0.31    -0.03   0.01   0.03
   102   1    -0.02  -0.11  -0.06    -0.04  -0.23  -0.12    -0.00  -0.02  -0.01
   103   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   104   1     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
   105   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
   106   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   107   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   108   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   112   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   113  17    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
                    202                    203                    204
                      A                      A                      A
 Frequencies --   1188.0780              1189.5520              1194.6518
 Red. masses --      1.1052                 1.4797                 1.6149
 Frc consts  --      0.9191                 1.2337                 1.3579
 IR Inten    --      0.0292                39.0868                16.1758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.02   0.02   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.04  -0.03   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.02  -0.03   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.03   0.03  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00
     9   6    -0.00   0.00  -0.00    -0.04   0.06  -0.02    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.01   0.02   0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.03   0.01   0.01     0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.04  -0.02  -0.01    -0.00  -0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.05  -0.02  -0.00     0.01   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.01  -0.04   0.02    -0.01  -0.00   0.00
    17   6    -0.00   0.00   0.00    -0.04   0.01   0.01    -0.00  -0.00   0.00
    18   7     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    19   6     0.00   0.00  -0.00     0.03   0.03  -0.02     0.00   0.00  -0.00
    20   6    -0.00  -0.00   0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.04  -0.02   0.02    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.00
    23   7     0.01   0.01   0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    24   7     0.00  -0.02   0.02     0.01   0.01   0.00     0.00   0.00   0.00
    25   7     0.00   0.00  -0.00     0.02   0.01  -0.01     0.00   0.00  -0.00
    26   6     0.02   0.01   0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    27   6    -0.00  -0.01   0.00     0.01  -0.00   0.01     0.00   0.00   0.00
    28   6     0.00  -0.00   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6    -0.02  -0.01  -0.01     0.02   0.00   0.01     0.00  -0.00   0.00
    30   6     0.01  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    31   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6    -0.01   0.01  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    34   6     0.00   0.00   0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    36   6     0.00   0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.02  -0.00  -0.02     0.00  -0.00  -0.00
    38   6     0.01  -0.00   0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    39   6     0.02   0.03  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    40   6    -0.03  -0.01  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    41   6     0.00   0.00   0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    42   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    43   6     0.03   0.02   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    44   6    -0.02   0.01  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   6    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    46   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    47   6     0.00  -0.02  -0.01     0.00  -0.01  -0.00     0.00  -0.00   0.00
    48   6    -0.02   0.01   0.00    -0.02   0.00  -0.01    -0.00   0.00  -0.00
    49   6     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    51   6     0.02  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    52   6    -0.02  -0.00  -0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
    53   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    54   6    -0.00   0.00   0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
    55   6     0.00  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00    -0.02   0.01   0.02    -0.00   0.00   0.00
    57   6     0.00  -0.00  -0.00     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    58   6     0.00   0.00   0.00     0.00   0.02   0.01     0.00   0.00   0.00
    59   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    60   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    62   8    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.03   0.00  -0.01
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    64   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.06   0.01  -0.04
    65   8     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01   0.01
    66   6    -0.00   0.00   0.00    -0.01   0.01   0.00     0.14  -0.08   0.06
    67   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.10   0.06  -0.03
    68   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.01  -0.01  -0.03
    69   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01   0.02
    70   1    -0.00   0.00  -0.01    -0.03   0.05  -0.01    -0.00   0.00  -0.00
    71   1     0.00  -0.01   0.00     0.13  -0.28   0.02     0.01  -0.02   0.00
    72   1    -0.03   0.00  -0.00    -0.35   0.08   0.04    -0.02   0.01   0.00
    73   1     0.01   0.01  -0.00     0.06   0.13   0.04     0.01   0.02   0.01
    74   1    -0.00   0.00  -0.01     0.42  -0.02   0.10     0.04  -0.00   0.01
    75   1    -0.00  -0.00  -0.00    -0.11  -0.12  -0.08    -0.00  -0.00  -0.00
    76   1     0.01   0.00  -0.00     0.18   0.02  -0.07     0.00   0.00  -0.00
    77   1    -0.01  -0.01   0.01    -0.14  -0.17   0.12    -0.00  -0.01   0.00
    78   1     0.01   0.00  -0.00     0.26   0.01  -0.06     0.02   0.00  -0.00
    79   1     0.07  -0.11   0.17    -0.03   0.04  -0.06    -0.00   0.00  -0.01
    80   1     0.21   0.28  -0.13    -0.01  -0.02   0.01     0.00  -0.00   0.00
    81   1    -0.29  -0.09  -0.15    -0.08  -0.02  -0.05    -0.01  -0.00  -0.01
    82   1     0.05  -0.08   0.13     0.03  -0.04   0.07     0.00  -0.01   0.01
    83   1    -0.04  -0.13   0.11     0.02   0.08  -0.07     0.00   0.01  -0.01
    84   1     0.31   0.19   0.04    -0.12  -0.08  -0.01    -0.01  -0.01  -0.00
    85   1    -0.25   0.08  -0.29     0.02   0.00   0.01    -0.00   0.00  -0.00
    86   1    -0.04  -0.17   0.14    -0.01  -0.05   0.04    -0.00  -0.01   0.01
    87   1     0.10   0.05   0.10     0.00   0.00   0.00    -0.00  -0.00  -0.00
    88   1     0.06  -0.20  -0.13     0.02  -0.06  -0.04     0.00  -0.00  -0.00
    89   1    -0.19   0.10  -0.02    -0.14   0.07  -0.02    -0.01   0.01  -0.00
    90   1     0.07   0.03   0.07     0.07   0.03   0.07     0.01   0.00   0.01
    91   1     0.02   0.08   0.08    -0.01  -0.07  -0.07    -0.00  -0.01  -0.01
    92   1     0.16  -0.17  -0.04    -0.09   0.10   0.03    -0.01   0.01   0.00
    93   1    -0.21   0.00  -0.12     0.05  -0.00   0.03     0.00  -0.00   0.00
    94   1     0.03   0.10   0.09    -0.00  -0.01  -0.01     0.00   0.00   0.00
    95   1    -0.00   0.00   0.00    -0.03   0.05   0.05    -0.00   0.00   0.00
    96   1    -0.00  -0.00  -0.00     0.02   0.02  -0.00    -0.00  -0.00  -0.00
    97   1    -0.00  -0.00   0.00    -0.19  -0.03   0.11    -0.00  -0.00   0.00
    98   1     0.00  -0.00  -0.00     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    99   1     0.00   0.01   0.00     0.03   0.15   0.08     0.00   0.00   0.00
   100   1    -0.01  -0.01   0.00    -0.18  -0.13   0.04    -0.00  -0.00   0.00
   101   1     0.01  -0.00  -0.01     0.03  -0.00  -0.02    -0.00   0.00   0.00
   102   1    -0.00   0.00   0.00    -0.02  -0.07  -0.04    -0.00  -0.00  -0.00
   103   1    -0.00  -0.00   0.00    -0.01  -0.01   0.03     0.11   0.16  -0.44
   104   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.30   0.04   0.43
   105   1    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.21  -0.13   0.07
   106   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.15  -0.40   0.08
   107   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.31   0.25  -0.04
   108   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.05  -0.07   0.07
   109   1     0.00  -0.00   0.00     0.01  -0.02   0.01    -0.07   0.05  -0.01
   110   1     0.00   0.00   0.00     0.00   0.00   0.01     0.02  -0.01  -0.04
   111   1     0.00   0.00   0.00     0.01   0.00   0.01    -0.06  -0.04  -0.03
   112   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.08   0.02  -0.01
   113  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    205                    206                    207
                      A                      A                      A
 Frequencies --   1198.8578              1200.3135              1203.7539
 Red. masses --      1.6293                 1.7435                 1.9678
 Frc consts  --      1.3797                 1.4800                 1.6800
 IR Inten    --     21.4583                17.0526                 6.0837
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.10  -0.06  -0.00    -0.06   0.04   0.00
     2   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     3   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.02  -0.04   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.04   0.01   0.00     0.03   0.02  -0.00
     6   6    -0.00   0.00  -0.00     0.01  -0.03   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.01  -0.00     0.00   0.05   0.00     0.00  -0.02  -0.00
     8   6     0.00   0.00   0.00     0.01  -0.02  -0.00     0.01  -0.03  -0.01
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01     0.02  -0.03   0.02
    10   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01   0.01   0.00
    12   6    -0.00  -0.00  -0.00     0.04   0.00   0.01     0.11   0.04   0.03
    13   6    -0.00  -0.01  -0.00     0.02   0.03   0.01     0.01   0.03   0.01
    14   6     0.00   0.00   0.00    -0.04  -0.02  -0.01    -0.05   0.02  -0.01
    15   7    -0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00   0.03  -0.02
    16   6     0.01   0.01  -0.00    -0.02  -0.02   0.01    -0.02  -0.03   0.02
    17   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    18   7    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.01  -0.01
    19   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.02   0.03  -0.01
    20   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.01   0.00
    21   6     0.01   0.00  -0.00    -0.03  -0.01   0.01    -0.04  -0.02   0.02
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.01   0.02  -0.01
    23   7     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    24   7     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.01   0.00
    25   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.06  -0.05   0.01
    27   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.04   0.00  -0.03
    28   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.00
    29   6     0.00   0.00   0.00    -0.02   0.00  -0.02    -0.07  -0.00  -0.05
    30   6     0.00  -0.01  -0.00    -0.04   0.06   0.02     0.02  -0.04  -0.01
    31   6     0.00  -0.00   0.00    -0.04   0.01  -0.01     0.03  -0.01   0.01
    32   6     0.00  -0.00  -0.00    -0.02   0.03   0.01     0.02  -0.02  -0.01
    33   6     0.01  -0.00   0.00    -0.08   0.02  -0.02     0.05  -0.01   0.01
    34   6    -0.00  -0.00   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
    35   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.02  -0.00  -0.01
    36   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    37   6    -0.00   0.00   0.00     0.02  -0.00  -0.01     0.02  -0.00  -0.02
    38   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.04  -0.01   0.03
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.02
    40   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.03  -0.01   0.04
    41   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.03  -0.03
    42   6     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.03   0.03
    43   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.02   0.03  -0.02
    44   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    45   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.03   0.04  -0.01
    46   6    -0.00   0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
    47   6     0.00   0.00   0.00    -0.02  -0.01  -0.01     0.01   0.01   0.01
    48   6    -0.01  -0.00  -0.00     0.04   0.00   0.03    -0.02  -0.00  -0.01
    49   6     0.00   0.00   0.00    -0.02  -0.02  -0.03     0.01   0.01   0.02
    50   6    -0.00  -0.00  -0.00     0.01   0.03   0.03    -0.01  -0.01  -0.02
    51   6    -0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00   0.02   0.01
    52   6    -0.00  -0.00  -0.00     0.00   0.02   0.01    -0.00  -0.01  -0.01
    53   6    -0.00   0.00   0.00     0.01  -0.04  -0.02    -0.01   0.02   0.01
    54   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.01   0.01   0.01
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    56   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.01   0.01   0.01
    57   6    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    58   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    59   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    61   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.00
    62   8    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    64   8    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    65   8     0.02  -0.04  -0.06     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    66   6     0.03  -0.01   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
    67   6    -0.02   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    68   6    -0.05   0.07   0.15    -0.01   0.01   0.02    -0.00   0.00   0.00
    69   6     0.04  -0.04  -0.11     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    70   1     0.01  -0.03  -0.00    -0.09   0.27   0.01     0.07  -0.15   0.01
    71   1     0.01  -0.02   0.00    -0.12   0.17  -0.02     0.02   0.04  -0.00
    72   1     0.00   0.00  -0.00    -0.08  -0.02   0.01     0.12  -0.01  -0.01
    73   1     0.01   0.01   0.01    -0.11  -0.16  -0.07    -0.16  -0.25  -0.09
    74   1    -0.03  -0.00  -0.01     0.20   0.02   0.06    -0.06   0.04   0.00
    75   1     0.02   0.02   0.01    -0.15  -0.19  -0.13    -0.09  -0.02  -0.06
    76   1    -0.02  -0.00   0.01     0.11   0.00  -0.04     0.17   0.01  -0.06
    77   1     0.00   0.01  -0.01    -0.02  -0.04   0.03    -0.06  -0.07   0.05
    78   1    -0.04  -0.00   0.01     0.16   0.01  -0.03     0.19   0.01  -0.04
    79   1    -0.00   0.01  -0.01     0.03  -0.04   0.07     0.12  -0.15   0.25
    80   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04   0.07  -0.04
    81   1    -0.01  -0.00  -0.01     0.10   0.02   0.06     0.22   0.04   0.14
    82   1     0.00  -0.01   0.01    -0.03   0.05  -0.07    -0.07   0.13  -0.19
    83   1     0.00   0.01  -0.01    -0.02  -0.06   0.05    -0.04  -0.18   0.16
    84   1    -0.02  -0.01  -0.00     0.07   0.05   0.00     0.22   0.16   0.00
    85   1     0.00   0.00   0.00     0.02  -0.01   0.02     0.04  -0.03   0.07
    86   1    -0.00  -0.00   0.00     0.02   0.06  -0.05     0.07   0.22  -0.17
    87   1    -0.02  -0.01  -0.02     0.20   0.09   0.18    -0.14  -0.06  -0.12
    88   1     0.00   0.00   0.00    -0.01  -0.04  -0.03    -0.00   0.05   0.04
    89   1    -0.03   0.01  -0.01     0.29  -0.12   0.06    -0.12   0.05  -0.03
    90   1     0.02   0.01   0.02    -0.17  -0.10  -0.18     0.08   0.05   0.09
    91   1    -0.01  -0.02  -0.02     0.05   0.18   0.18    -0.03  -0.10  -0.10
    92   1    -0.02   0.03   0.01     0.19  -0.23  -0.08    -0.09   0.12   0.04
    93   1    -0.01  -0.00  -0.00     0.05   0.02   0.04    -0.04  -0.01  -0.03
    94   1     0.00   0.02   0.02    -0.04  -0.20  -0.18     0.02   0.12   0.11
    95   1     0.01  -0.01  -0.01    -0.03   0.05   0.05    -0.05   0.07   0.08
    96   1     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    97   1     0.02   0.00  -0.01    -0.06  -0.01   0.04    -0.09  -0.01   0.05
    98   1    -0.01   0.01   0.01     0.02  -0.05  -0.05     0.03  -0.07  -0.07
    99   1    -0.00  -0.01  -0.01     0.01   0.06   0.03     0.01   0.09   0.05
   100   1     0.01   0.01  -0.00    -0.06  -0.05   0.01    -0.08  -0.06   0.01
   101   1     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.02   0.02   0.02
   102   1     0.00   0.02   0.01    -0.02  -0.07  -0.03    -0.03  -0.11  -0.05
   103   1     0.02   0.03  -0.10     0.01   0.01  -0.02     0.00   0.00  -0.01
   104   1    -0.06   0.00   0.07    -0.01  -0.00   0.01    -0.01  -0.00   0.00
   105   1     0.05  -0.02   0.01     0.01  -0.00   0.00     0.01  -0.00   0.00
   106   1    -0.03  -0.08   0.01    -0.01  -0.02   0.00    -0.00  -0.01   0.00
   107   1     0.06   0.04  -0.01     0.01   0.01  -0.00     0.01   0.00  -0.00
   108   1    -0.29   0.28  -0.32    -0.04   0.03  -0.04    -0.01   0.00  -0.00
   109   1     0.36  -0.31   0.06     0.05  -0.04   0.01     0.01  -0.00  -0.00
   110   1    -0.10   0.06   0.23    -0.02   0.01   0.03    -0.00   0.00   0.00
   111   1     0.33   0.18   0.15     0.04   0.02   0.02     0.01   0.00   0.00
   112   1    -0.41  -0.10   0.04    -0.05  -0.01   0.00    -0.01  -0.00   0.00
   113  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    208                    209                    210
                      A                      A                      A
 Frequencies --   1214.5567              1234.4524              1248.7213
 Red. masses --      2.2096                 2.6869                 2.1423
 Frc consts  --      1.9204                 2.4124                 1.9682
 IR Inten    --     11.0578                18.6477                 8.8535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02  -0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.03   0.02   0.00    -0.03   0.02   0.00     0.04  -0.02  -0.00
     3   6     0.02  -0.02  -0.00     0.03   0.03  -0.00    -0.06  -0.04   0.00
     4   6     0.07  -0.05   0.00     0.05   0.01  -0.00    -0.06  -0.05   0.01
     5   6     0.02  -0.02   0.00    -0.02  -0.04   0.01     0.03   0.04  -0.01
     6   6    -0.02   0.03  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
     7   6     0.01  -0.01   0.00     0.04  -0.04   0.01    -0.02   0.06  -0.01
     8   6    -0.02  -0.01   0.00     0.14   0.05   0.05    -0.02   0.05   0.01
     9   6    -0.05   0.13  -0.05    -0.11  -0.02  -0.03     0.01   0.08  -0.03
    10   6    -0.01   0.01   0.00     0.00   0.02  -0.01     0.01  -0.06   0.02
    11   6     0.00   0.00   0.00    -0.06  -0.01  -0.02     0.03   0.01   0.01
    12   6     0.06   0.03   0.02     0.02   0.00   0.01    -0.01   0.01  -0.00
    13   6     0.04   0.03   0.01    -0.03  -0.04  -0.02     0.02   0.00   0.00
    14   6    -0.06  -0.03  -0.02     0.02   0.04   0.01    -0.01  -0.07  -0.01
    15   7     0.05  -0.09   0.03    -0.10  -0.06   0.05    -0.06  -0.04   0.03
    16   6     0.02   0.03  -0.02     0.17   0.09  -0.08     0.09   0.03  -0.03
    17   6    -0.04   0.05  -0.01     0.03   0.05  -0.03     0.07   0.02  -0.02
    18   7    -0.01  -0.03   0.02    -0.01  -0.01   0.01    -0.02   0.02  -0.00
    19   6    -0.03  -0.05   0.03     0.08   0.01  -0.02     0.01   0.01  -0.01
    20   6     0.02   0.01  -0.01    -0.09   0.01   0.01    -0.03   0.02   0.00
    21   6     0.07   0.04  -0.03     0.00  -0.02   0.01     0.01  -0.03   0.01
    22   6     0.01  -0.03   0.01    -0.04  -0.05   0.03    -0.00  -0.03   0.01
    23   7     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.03  -0.01  -0.02
    24   7     0.01   0.00   0.00     0.01   0.00   0.01    -0.01   0.01  -0.02
    25   7     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.02  -0.03  -0.00
    26   6    -0.03  -0.03   0.00    -0.00   0.00  -0.01    -0.02  -0.02   0.01
    27   6    -0.03  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.01   0.02
    28   6    -0.03  -0.02   0.00    -0.02  -0.02   0.00     0.03   0.02   0.00
    29   6    -0.04  -0.00  -0.03    -0.01  -0.01  -0.00     0.02   0.01   0.00
    30   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.04   0.02
    31   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.04   0.00   0.02
    32   6     0.00   0.00   0.00    -0.01   0.02   0.01     0.03  -0.03  -0.01
    33   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.03  -0.03  -0.01
    34   6    -0.04  -0.04   0.01     0.02   0.02   0.00     0.02   0.01  -0.01
    35   6    -0.04   0.00   0.03     0.01   0.00  -0.01     0.05  -0.00  -0.04
    36   6    -0.04  -0.04   0.00     0.01   0.01   0.00     0.04   0.05   0.01
    37   6    -0.04  -0.00   0.03     0.00  -0.00  -0.01    -0.02   0.01   0.02
    38   6     0.02  -0.00   0.02     0.01  -0.00   0.01    -0.01  -0.00  -0.01
    39   6    -0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.01   0.00
    40   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   6     0.00   0.02  -0.02     0.01   0.01  -0.00    -0.01  -0.01   0.01
    42   6     0.00  -0.01   0.02     0.01   0.00   0.01    -0.01  -0.01   0.00
    43   6     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.01   0.01  -0.01
    44   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.01
    45   6     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.01   0.01
    46   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.02   0.01  -0.00
    47   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.01   0.01
    48   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00  -0.00
    49   6     0.00   0.00   0.00     0.00  -0.01  -0.01    -0.00   0.02   0.01
    50   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00   0.01   0.01
    51   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
    52   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.01  -0.01  -0.01
    53   6    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.01   0.01   0.01
    54   6     0.03  -0.01  -0.03    -0.01   0.00   0.01    -0.01   0.01   0.02
    55   6    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    56   6     0.01  -0.01  -0.02    -0.00   0.00   0.00     0.01  -0.01  -0.01
    57   6     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.02  -0.00   0.01
    58   6     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.02   0.00   0.01
    59   6     0.01   0.03   0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    60   6     0.00  -0.02  -0.01     0.00   0.00   0.00    -0.01   0.01   0.01
    61   6     0.03   0.03   0.00    -0.01  -0.01   0.00    -0.02  -0.02   0.00
    62   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.02   0.01  -0.01
    63  15    -0.00  -0.00   0.00     0.01  -0.01   0.00    -0.01  -0.00   0.01
    64   8    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    65   8    -0.00   0.02  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.00
    66   6    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.00  -0.00   0.00
    67   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    68   6     0.00  -0.01   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    70   1    -0.10   0.17   0.00    -0.07   0.12   0.01     0.09  -0.14   0.00
    71   1     0.04  -0.08   0.00     0.06  -0.22   0.02    -0.11   0.39  -0.04
    72   1    -0.26   0.06   0.03    -0.18   0.03   0.02     0.13  -0.01  -0.01
    73   1    -0.05  -0.08  -0.04    -0.16  -0.17  -0.08     0.02   0.00   0.01
    74   1     0.29   0.01   0.08    -0.39  -0.01  -0.09     0.32  -0.03   0.08
    75   1    -0.22  -0.25  -0.15     0.03   0.07   0.05    -0.21  -0.37  -0.17
    76   1    -0.33  -0.01   0.11     0.23  -0.01  -0.07    -0.01   0.02  -0.01
    77   1     0.10   0.12  -0.09    -0.34  -0.33   0.24    -0.07  -0.02   0.03
    78   1    -0.16  -0.02   0.04    -0.33  -0.03   0.09    -0.37  -0.01   0.08
    79   1     0.07  -0.09   0.15     0.04  -0.04   0.07    -0.05   0.06  -0.11
    80   1     0.02   0.04  -0.03     0.01   0.02  -0.01    -0.01  -0.02   0.01
    81   1     0.10   0.02   0.06     0.01   0.00   0.01    -0.01  -0.00  -0.01
    82   1    -0.03   0.07  -0.11    -0.01   0.04  -0.05     0.02  -0.06   0.09
    83   1    -0.02  -0.10   0.09    -0.00  -0.04   0.04    -0.00   0.02  -0.02
    84   1     0.10   0.07  -0.00    -0.01  -0.01  -0.00     0.04   0.03  -0.00
    85   1     0.03  -0.02   0.04     0.02  -0.01   0.03    -0.02   0.01  -0.03
    86   1     0.04   0.13  -0.10     0.02   0.06  -0.05    -0.00  -0.01   0.01
    87   1    -0.00  -0.00  -0.00     0.07   0.03   0.06    -0.14  -0.06  -0.12
    88   1     0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00   0.02   0.01
    89   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.01   0.00  -0.00
    90   1     0.00   0.00   0.01    -0.04  -0.03  -0.04     0.09   0.07   0.11
    91   1     0.00  -0.01  -0.01     0.02   0.03   0.03    -0.01  -0.02  -0.02
    92   1    -0.02   0.02   0.01    -0.01   0.01   0.00     0.03  -0.05  -0.02
    93   1     0.01  -0.00   0.00     0.03   0.00   0.02    -0.04  -0.01  -0.03
    94   1    -0.00  -0.00  -0.00    -0.01  -0.05  -0.04     0.01  -0.00   0.00
    95   1     0.10  -0.14  -0.16    -0.01   0.02   0.02    -0.04   0.06   0.07
    96   1     0.03   0.07   0.02    -0.00  -0.01  -0.00    -0.02  -0.05  -0.02
    97   1     0.11   0.01  -0.07    -0.02  -0.00   0.01     0.03  -0.00  -0.02
    98   1    -0.05   0.12   0.11     0.00  -0.02  -0.02     0.02  -0.08  -0.07
    99   1    -0.02  -0.15  -0.09     0.01   0.04   0.02     0.01   0.15   0.10
   100   1     0.12   0.09  -0.02    -0.04  -0.03   0.01    -0.02  -0.01   0.00
   101   1     0.04  -0.04  -0.05     0.00   0.00  -0.00    -0.02   0.02   0.03
   102   1     0.06   0.22   0.10    -0.02  -0.05  -0.02    -0.05  -0.19  -0.09
   103   1    -0.00   0.00   0.02     0.00   0.01  -0.00     0.00   0.01   0.01
   104   1     0.00   0.01   0.01    -0.01   0.01   0.02     0.00   0.01   0.01
   105   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
   106   1     0.00   0.01   0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
   107   1    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
   108   1     0.00  -0.01   0.00     0.01  -0.02   0.01    -0.01  -0.01   0.00
   109   1    -0.01  -0.01   0.01    -0.01  -0.01   0.00    -0.00  -0.02   0.01
   110   1     0.01   0.00  -0.01     0.02   0.00  -0.01    -0.00  -0.00  -0.00
   111   1    -0.00  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
   112   1     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
   113  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    211                    212                    213
                      A                      A                      A
 Frequencies --   1253.0413              1254.8309              1255.9056
 Red. masses --      2.6975                 2.6392                 2.5992
 Frc consts  --      2.4954                 2.4485                 2.4154
 IR Inten    --     55.5566                54.7297                96.7130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.00   0.01  -0.00     0.01   0.00  -0.00     0.03  -0.02  -0.00
     3   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.04  -0.03   0.00
     4   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.03  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.02  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.01   0.00
     7   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.04   0.00
     8   6     0.01  -0.00   0.00     0.02   0.00   0.00     0.00   0.02   0.01
     9   6    -0.01  -0.01   0.00    -0.01  -0.03   0.01     0.01  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.01   0.01  -0.01     0.02  -0.01  -0.00
    11   6    -0.01   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.01   0.01
    12   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.01   0.00  -0.00
    13   6    -0.01  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.00   0.00
    14   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.00  -0.02  -0.00
    15   7     0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.04  -0.01   0.01
    16   6    -0.01   0.00  -0.00     0.00   0.01  -0.01     0.04   0.03  -0.02
    17   6    -0.01   0.00   0.00    -0.03   0.01   0.00    -0.02   0.02  -0.01
    18   7     0.01  -0.01   0.00     0.02  -0.02   0.00     0.02  -0.02   0.00
    19   6     0.01  -0.00   0.00     0.02  -0.01  -0.00     0.03  -0.01  -0.00
    20   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.02  -0.00   0.01
    21   6    -0.01   0.01  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
    22   6    -0.00   0.00   0.00    -0.02  -0.00   0.01    -0.02  -0.01   0.01
    23   7    -0.07  -0.09  -0.10    -0.02  -0.03  -0.03     0.01   0.03   0.03
    24   7     0.01  -0.05   0.05    -0.01   0.10  -0.10    -0.01  -0.05   0.04
    25   7     0.01   0.02   0.01     0.01   0.06   0.03    -0.00   0.10   0.06
    26   6     0.07   0.04   0.01    -0.13  -0.08  -0.03     0.05   0.01   0.03
    27   6     0.01   0.02  -0.01    -0.02  -0.04   0.03     0.05   0.02   0.02
    28   6    -0.01   0.01  -0.02     0.03  -0.02   0.04     0.02   0.04  -0.03
    29   6    -0.07  -0.02  -0.03     0.14   0.05   0.06    -0.07  -0.01  -0.04
    30   6    -0.13   0.12   0.02    -0.04   0.04   0.01     0.04  -0.02   0.01
    31   6    -0.01   0.05   0.03    -0.00   0.02   0.01     0.04  -0.02   0.01
    32   6     0.05   0.01   0.04     0.02   0.00   0.01     0.00  -0.04  -0.03
    33   6     0.15  -0.09   0.01     0.05  -0.03   0.00    -0.06   0.02  -0.02
    34   6    -0.01  -0.00   0.01    -0.05  -0.01   0.03    -0.11  -0.04   0.05
    35   6    -0.02  -0.00   0.01    -0.05  -0.01   0.03    -0.05  -0.04   0.01
    36   6    -0.01  -0.02  -0.00    -0.02  -0.05  -0.02     0.00  -0.05  -0.03
    37   6     0.02  -0.00  -0.01     0.07  -0.00  -0.05     0.13   0.02  -0.07
    38   6     0.02   0.02  -0.00    -0.04  -0.04   0.01     0.00   0.02  -0.02
    39   6    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.02   0.02
    40   6     0.02  -0.01   0.02    -0.04   0.01  -0.04     0.02  -0.01   0.02
    41   6     0.00   0.02  -0.02    -0.00  -0.04   0.04    -0.01   0.01  -0.02
    42   6    -0.00   0.02  -0.02     0.01  -0.04   0.05    -0.02   0.01  -0.02
    43   6    -0.02  -0.02   0.01     0.03   0.04  -0.02    -0.01  -0.01   0.00
    44   6     0.00  -0.01   0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.01
    45   6    -0.02  -0.00  -0.02     0.04  -0.00   0.03    -0.03  -0.01  -0.01
    46   6    -0.02   0.05   0.02    -0.01   0.02   0.01    -0.01  -0.01  -0.02
    47   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.01   0.02   0.02
    48   6    -0.05   0.00  -0.03    -0.02   0.00  -0.01     0.02   0.00   0.01
    49   6     0.02   0.04   0.04     0.01   0.01   0.02    -0.02  -0.00  -0.01
    50   6     0.04   0.03   0.05     0.01   0.01   0.01    -0.02   0.00  -0.01
    51   6     0.01  -0.05  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
    52   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    53   6     0.05  -0.01   0.02     0.02  -0.00   0.01    -0.02   0.02   0.00
    54   6     0.00  -0.01  -0.01    -0.00  -0.03  -0.02    -0.02  -0.04  -0.01
    55   6     0.00   0.01   0.00     0.00   0.03   0.01     0.00   0.03   0.02
    56   6    -0.01   0.00   0.01    -0.02   0.01   0.02    -0.04   0.02   0.04
    57   6     0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.01  -0.04  -0.03
    58   6     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.02  -0.03  -0.04
    59   6     0.00   0.00   0.00     0.01   0.01   0.00     0.02   0.03   0.00
    60   6     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00   0.01   0.00
    61   6     0.01   0.01  -0.00     0.03   0.02  -0.01     0.04   0.01  -0.02
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    67   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    70   1    -0.04   0.11   0.01     0.01   0.00   0.01     0.04  -0.05  -0.00
    71   1     0.01  -0.03   0.01     0.00  -0.00   0.00    -0.05   0.15  -0.02
    72   1     0.07  -0.00   0.00     0.04  -0.01  -0.00     0.02  -0.01  -0.00
    73   1     0.00   0.02  -0.00    -0.06  -0.08  -0.02    -0.03  -0.05  -0.02
    74   1    -0.08   0.01  -0.02     0.04  -0.01   0.02     0.05  -0.00   0.01
    75   1     0.02   0.03   0.01     0.00  -0.01  -0.00    -0.08  -0.14  -0.07
    76   1     0.02  -0.00  -0.00     0.08  -0.02  -0.02     0.09  -0.01  -0.02
    77   1    -0.02  -0.03   0.01    -0.07  -0.10   0.05    -0.12  -0.15   0.09
    78   1     0.08  -0.00  -0.01     0.17  -0.02  -0.03     0.10  -0.03  -0.02
    79   1     0.09  -0.09   0.17    -0.17   0.18  -0.32     0.04  -0.03   0.06
    80   1    -0.01  -0.02   0.02     0.02   0.05  -0.03    -0.03  -0.05   0.03
    81   1     0.05   0.00   0.04    -0.10  -0.01  -0.07     0.07   0.00   0.05
    82   1    -0.03   0.07  -0.12     0.07  -0.16   0.24    -0.01   0.00  -0.01
    83   1     0.02   0.11  -0.11    -0.04  -0.21   0.20     0.03   0.18  -0.18
    84   1    -0.05  -0.05   0.01     0.09   0.08  -0.01    -0.01  -0.01   0.00
    85   1     0.01  -0.01   0.03    -0.03   0.03  -0.05    -0.01   0.00  -0.01
    86   1    -0.06  -0.16   0.12     0.12   0.31  -0.23    -0.08  -0.22   0.16
    87   1    -0.33  -0.12  -0.27    -0.11  -0.04  -0.09     0.03   0.00   0.02
    88   1    -0.00  -0.05  -0.04     0.00  -0.02  -0.02    -0.00   0.05   0.04
    89   1    -0.12   0.04  -0.04    -0.04   0.01  -0.01     0.07  -0.02   0.02
    90   1     0.19   0.12   0.22     0.07   0.04   0.08     0.01   0.01   0.01
    91   1     0.08   0.22   0.23     0.03   0.07   0.08    -0.06  -0.14  -0.15
    92   1     0.08  -0.12  -0.05     0.02  -0.04  -0.02    -0.00   0.00   0.00
    93   1    -0.05  -0.01  -0.04    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    94   1    -0.04  -0.35  -0.29    -0.01  -0.11  -0.09     0.03   0.17   0.15
    95   1    -0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.13   0.16   0.18
    96   1     0.01   0.02   0.01     0.03   0.07   0.02     0.03   0.08   0.03
    97   1    -0.02   0.00   0.02    -0.08   0.00   0.06    -0.11   0.01   0.08
    98   1    -0.00   0.01   0.01     0.00   0.01   0.00     0.05  -0.10  -0.11
    99   1    -0.01  -0.07  -0.04    -0.02  -0.22  -0.14    -0.03  -0.31  -0.19
   100   1     0.00   0.00  -0.00     0.01   0.01   0.00     0.04   0.04  -0.00
   101   1     0.01  -0.00  -0.01     0.01  -0.01  -0.01    -0.01   0.01   0.02
   102   1     0.02   0.08   0.04     0.07   0.26   0.12     0.11   0.39   0.18
   103   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   104   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   105   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   106   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   107   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   108   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01   0.00
   109   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01   0.00
   110   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   112   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   113  17     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    214                    215                    216
                      A                      A                      A
 Frequencies --   1257.6844              1263.0120              1265.3478
 Red. masses --      2.5566                 2.2588                 2.6270
 Frc consts  --      2.3826                 2.1230                 2.4781
 IR Inten    --     28.7455                69.5425                20.2517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.04  -0.03  -0.00    -0.04   0.03   0.00
     2   6     0.02  -0.01  -0.00    -0.03   0.00   0.00    -0.01   0.02  -0.00
     3   6    -0.03  -0.03   0.00     0.05  -0.02  -0.01    -0.00  -0.03  -0.00
     4   6    -0.02   0.01   0.00     0.06  -0.00  -0.00     0.01  -0.03   0.00
     5   6     0.00   0.01  -0.00    -0.02  -0.02   0.00     0.03   0.00  -0.00
     6   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.00
     7   6     0.00   0.04   0.00     0.03   0.02   0.01     0.02  -0.02   0.00
     8   6     0.01   0.01   0.00     0.05  -0.00   0.01     0.02  -0.01   0.00
     9   6     0.01  -0.03   0.01    -0.06  -0.03   0.00    -0.04   0.01  -0.01
    10   6     0.03   0.02  -0.01    -0.03   0.04  -0.01    -0.01   0.01   0.00
    11   6     0.00   0.01   0.00    -0.03  -0.00  -0.01    -0.00   0.01   0.00
    12   6     0.01   0.00   0.00     0.03   0.00   0.01     0.07   0.03   0.02
    13   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    14   6     0.00  -0.01  -0.00    -0.00   0.03   0.00    -0.03   0.02  -0.00
    15   7    -0.03   0.01   0.00     0.06   0.01  -0.02     0.03  -0.01  -0.00
    16   6     0.02   0.03  -0.02    -0.05  -0.02   0.02    -0.01  -0.01   0.01
    17   6    -0.05   0.02  -0.00    -0.01  -0.02   0.01    -0.01  -0.00   0.00
    18   7     0.04  -0.03   0.00    -0.01   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.03  -0.00  -0.01    -0.02  -0.01   0.01    -0.01  -0.00   0.00
    20   6    -0.02  -0.00   0.01     0.02  -0.01  -0.00     0.01  -0.00  -0.00
    21   6    -0.03  -0.00   0.01     0.02   0.02  -0.01     0.01   0.01  -0.00
    22   6    -0.04  -0.00   0.01     0.02   0.01  -0.01     0.01   0.00  -0.00
    23   7    -0.01   0.01   0.01    -0.02   0.01  -0.00     0.01  -0.01  -0.00
    24   7    -0.01  -0.01   0.00    -0.01   0.01  -0.01    -0.02  -0.00  -0.01
    25   7     0.04  -0.06  -0.06    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.00  -0.02   0.02    -0.03  -0.04   0.01    -0.05  -0.09   0.05
    27   6     0.04  -0.00   0.03     0.04  -0.01   0.04     0.10  -0.01   0.09
    28   6     0.04   0.04  -0.01     0.04   0.04  -0.01     0.09   0.10  -0.02
    29   6    -0.02   0.01  -0.02    -0.00   0.02  -0.02    -0.05   0.04  -0.09
    30   6     0.01   0.02   0.02    -0.01   0.07   0.05     0.00  -0.06  -0.05
    31   6     0.05  -0.01   0.02     0.10  -0.02   0.04    -0.09   0.02  -0.04
    32   6     0.02  -0.04  -0.02     0.05  -0.09  -0.04    -0.04   0.08   0.04
    33   6    -0.03  -0.00  -0.02    -0.06  -0.02  -0.04     0.07   0.01   0.05
    34   6     0.11   0.11  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
    35   6    -0.08   0.05   0.09     0.04  -0.01  -0.03     0.01  -0.00  -0.01
    36   6    -0.10  -0.07   0.02     0.04   0.04   0.00     0.01   0.01   0.00
    37   6    -0.06  -0.07  -0.01    -0.03   0.02   0.03    -0.01   0.01   0.01
    38   6    -0.01   0.01  -0.02    -0.02   0.00  -0.02    -0.02   0.02  -0.04
    39   6    -0.00  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.04   0.03
    40   6     0.01  -0.00   0.01     0.00  -0.01   0.01     0.02  -0.02   0.04
    41   6    -0.01  -0.00  -0.01    -0.02  -0.01  -0.00    -0.04  -0.00  -0.03
    42   6    -0.02  -0.01  -0.01    -0.01  -0.02   0.00    -0.04  -0.04   0.01
    43   6     0.00   0.01  -0.01     0.01   0.02  -0.01     0.02   0.04  -0.03
    44   6    -0.01   0.01  -0.01    -0.01   0.01  -0.02    -0.02   0.02  -0.04
    45   6    -0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.02  -0.04   0.03
    46   6    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02     0.03   0.01   0.02
    47   6     0.00   0.01   0.01     0.00   0.03   0.03    -0.00  -0.03  -0.02
    48   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.03  -0.01  -0.02
    49   6    -0.02   0.01  -0.00    -0.04   0.02  -0.01     0.04  -0.01   0.01
    50   6    -0.01   0.01   0.00    -0.02   0.03   0.01     0.02  -0.03  -0.01
    51   6    -0.00  -0.01  -0.01    -0.00  -0.03  -0.02     0.00   0.03   0.02
    52   6    -0.01  -0.00  -0.01    -0.03  -0.01  -0.03     0.03   0.01   0.02
    53   6    -0.01   0.02   0.01     0.00   0.03   0.03     0.00  -0.03  -0.02
    54   6     0.05   0.01  -0.03    -0.01   0.01   0.01    -0.00   0.00   0.00
    55   6     0.01   0.03   0.01    -0.01  -0.02  -0.01    -0.00  -0.01  -0.00
    56   6     0.01   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    57   6     0.04   0.04   0.00    -0.02   0.00   0.01    -0.01   0.00   0.00
    58   6     0.02   0.05   0.02    -0.02  -0.01   0.00    -0.00  -0.00   0.00
    59   6    -0.03  -0.05  -0.01     0.00   0.02   0.01     0.00   0.01   0.00
    60   6     0.02  -0.04  -0.04    -0.01   0.01   0.01    -0.00   0.00   0.00
    61   6    -0.01   0.05   0.04    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
    62   8     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    63  15     0.00  -0.00   0.00     0.01   0.00  -0.01     0.01   0.00  -0.00
    64   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    67   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    69   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    70   1     0.01   0.02  -0.00    -0.20   0.41  -0.01     0.04  -0.10   0.02
    71   1    -0.03   0.08  -0.01     0.02  -0.14   0.01     0.02   0.02  -0.00
    72   1     0.02  -0.01   0.00    -0.17   0.02   0.03    -0.00   0.01  -0.01
    73   1    -0.07  -0.10  -0.04    -0.17  -0.23  -0.10    -0.16  -0.23  -0.10
    74   1     0.01  -0.00   0.01    -0.19   0.01  -0.03    -0.12   0.02  -0.01
    75   1    -0.04  -0.08  -0.04     0.04   0.08   0.03    -0.03   0.03  -0.01
    76   1     0.13  -0.01  -0.03    -0.06  -0.00   0.02    -0.05   0.00   0.01
    77   1    -0.07  -0.07   0.05     0.07   0.06  -0.04     0.02   0.02  -0.01
    78   1     0.21  -0.01  -0.02    -0.02   0.01  -0.01    -0.00   0.00  -0.00
    79   1    -0.03   0.04  -0.07    -0.06   0.08  -0.13    -0.09   0.13  -0.21
    80   1    -0.02  -0.04   0.02    -0.01  -0.03   0.02    -0.04  -0.08   0.05
    81   1     0.03   0.00   0.03     0.04   0.00   0.03     0.14   0.01   0.10
    82   1     0.02  -0.07   0.09     0.04  -0.11   0.16     0.07  -0.21   0.31
    83   1     0.01   0.10  -0.10     0.01   0.08  -0.08     0.04   0.25  -0.25
    84   1     0.03   0.02  -0.00     0.04   0.04  -0.01     0.13   0.11  -0.02
    85   1    -0.02   0.01  -0.03    -0.03   0.02  -0.04    -0.05   0.04  -0.08
    86   1    -0.03  -0.10   0.08    -0.01  -0.04   0.04    -0.05  -0.17   0.14
    87   1    -0.05  -0.03  -0.05    -0.16  -0.08  -0.15     0.11   0.06   0.11
    88   1    -0.00   0.03   0.03    -0.00   0.06   0.05     0.00  -0.06  -0.04
    89   1     0.05  -0.02   0.02     0.11  -0.03   0.03    -0.12   0.03  -0.04
    90   1     0.06   0.05   0.08     0.18   0.13   0.22    -0.15  -0.11  -0.19
    91   1    -0.04  -0.09  -0.10    -0.08  -0.18  -0.20     0.08   0.18   0.19
    92   1     0.02  -0.03  -0.01     0.06  -0.09  -0.04    -0.07   0.10   0.04
    93   1    -0.03  -0.01  -0.02    -0.07  -0.01  -0.05     0.06   0.01   0.04
    94   1     0.02   0.09   0.08     0.03   0.14   0.13    -0.03  -0.13  -0.12
    95   1     0.22  -0.33  -0.36    -0.04   0.06   0.07    -0.01   0.01   0.01
    96   1     0.02   0.04   0.01    -0.02  -0.04  -0.01    -0.01  -0.01  -0.00
    97   1    -0.05  -0.00   0.03     0.06  -0.00  -0.04     0.02  -0.00  -0.01
    98   1    -0.12   0.37   0.34     0.03  -0.10  -0.09     0.01  -0.03  -0.03
    99   1     0.00  -0.07  -0.05     0.01   0.13   0.08     0.00   0.04   0.03
   100   1    -0.12  -0.12   0.01     0.06   0.05  -0.00     0.02   0.02  -0.00
   101   1     0.08  -0.07  -0.10    -0.02   0.02   0.03    -0.01   0.01   0.01
   102   1    -0.02  -0.03  -0.00    -0.02  -0.09  -0.05    -0.01  -0.03  -0.01
   103   1     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
   104   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   105   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   106   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   107   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   108   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.01  -0.00
   109   1    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
   111   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   112   1     0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    217                    218                    219
                      A                      A                      A
 Frequencies --   1282.7697              1289.2400              1301.4196
 Red. masses --      4.3288                 3.6458                 2.1467
 Frc consts  --      4.1968                 3.5703                 2.1422
 IR Inten    --     79.6388                 2.6150               119.2798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00    -0.00  -0.03   0.00     0.05   0.03  -0.01
     2   6    -0.04   0.00   0.00    -0.04   0.02   0.00    -0.01   0.01   0.00
     3   6     0.10   0.03  -0.00     0.09   0.04  -0.00    -0.05   0.06   0.00
     4   6     0.02   0.11  -0.02     0.01  -0.02  -0.00     0.01  -0.07   0.01
     5   6    -0.05  -0.02   0.00    -0.02   0.00   0.00     0.01  -0.03   0.00
     6   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
     7   6    -0.02  -0.08  -0.01     0.03  -0.05   0.01     0.01  -0.04  -0.00
     8   6    -0.18  -0.09  -0.07    -0.02  -0.03  -0.01     0.05  -0.05   0.00
     9   6     0.27   0.01   0.04    -0.01   0.07  -0.03    -0.05  -0.00   0.00
    10   6     0.01   0.02  -0.03    -0.06  -0.06   0.04    -0.02   0.02   0.00
    11   6     0.02  -0.03   0.00    -0.02  -0.01  -0.01    -0.01   0.02   0.00
    12   6     0.05   0.02   0.01     0.02   0.01   0.01     0.00  -0.01   0.00
    13   6     0.04   0.06   0.02     0.00   0.01   0.00    -0.02  -0.00  -0.01
    14   6    -0.05  -0.01  -0.01    -0.02   0.01  -0.00    -0.00   0.04   0.01
    15   7    -0.16   0.02   0.02     0.01   0.00  -0.00    -0.00   0.01  -0.01
    16   6     0.07   0.03  -0.03     0.06  -0.11   0.03     0.08  -0.04  -0.00
    17   6    -0.02   0.04  -0.02     0.20  -0.09  -0.01    -0.00  -0.07   0.03
    18   7    -0.03  -0.05   0.03    -0.11   0.10  -0.02    -0.01   0.03  -0.01
    19   6     0.02  -0.02   0.00    -0.07   0.11  -0.03    -0.01   0.02  -0.01
    20   6    -0.01   0.02  -0.01    -0.02   0.03  -0.01     0.00   0.01  -0.00
    21   6     0.03  -0.00  -0.01    -0.04  -0.15   0.07    -0.01   0.04  -0.01
    22   6    -0.02  -0.01   0.01     0.02   0.03  -0.02    -0.00   0.01  -0.00
    23   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02  -0.01   0.01
    24   7     0.00   0.01   0.00     0.01   0.01   0.00     0.00   0.00   0.00
    25   7    -0.00  -0.00   0.00    -0.05  -0.01   0.02     0.01   0.01   0.00
    26   6    -0.03  -0.04   0.01    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   6     0.02  -0.01   0.02     0.01  -0.00   0.01     0.00  -0.00   0.00
    28   6     0.03   0.02  -0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6    -0.03   0.02  -0.04    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   6    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.02   0.02   0.00
    31   6     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.01   0.01
    32   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.01  -0.01   0.00
    33   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.04  -0.01  -0.03
    34   6    -0.01  -0.02  -0.00     0.04   0.13   0.05    -0.00  -0.02  -0.01
    35   6     0.02  -0.00  -0.01    -0.05   0.00   0.03     0.00   0.00  -0.00
    36   6     0.01   0.02   0.00    -0.02  -0.05  -0.02    -0.00   0.00   0.00
    37   6    -0.01   0.01   0.01     0.10  -0.01  -0.07    -0.01  -0.01   0.00
    38   6    -0.00   0.01  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    39   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    40   6     0.01  -0.01   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.00
    41   6    -0.02   0.00  -0.02    -0.01   0.00  -0.01    -0.00  -0.00  -0.00
    42   6    -0.01  -0.02   0.01    -0.00  -0.01   0.01     0.00  -0.00   0.00
    43   6     0.01   0.02  -0.01     0.00   0.01  -0.01     0.00   0.00  -0.00
    44   6    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    47   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    48   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.01
    49   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    50   6    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    52   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    53   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.01
    54   6    -0.00   0.01   0.00    -0.01  -0.03  -0.02     0.00   0.00   0.00
    55   6    -0.00  -0.01  -0.00     0.01   0.03   0.01     0.00  -0.00  -0.00
    56   6     0.01  -0.01  -0.01    -0.03   0.03   0.04     0.00  -0.00  -0.00
    57   6    -0.01   0.00   0.01     0.02  -0.03  -0.04     0.00   0.00   0.00
    58   6    -0.01  -0.01  -0.00     0.03   0.05   0.01    -0.00  -0.01  -0.00
    59   6     0.00   0.01   0.00    -0.00  -0.05  -0.03    -0.00   0.01   0.01
    60   6    -0.00   0.00   0.01     0.02  -0.01  -0.02    -0.00  -0.00   0.00
    61   6    -0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00   0.00
    62   8     0.15   0.03  -0.08     0.01   0.00  -0.00     0.13   0.03  -0.06
    63  15    -0.09  -0.01   0.04    -0.00  -0.00   0.00    -0.08  -0.02   0.04
    64   8     0.02   0.00   0.02     0.00  -0.00  -0.00     0.02   0.00   0.00
    65   8     0.01  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    66   6    -0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    67   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.01   0.01
    69   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    70   1    -0.20   0.40  -0.01    -0.10   0.18  -0.01     0.18  -0.44   0.01
    71   1     0.14  -0.49   0.06     0.01  -0.08   0.01    -0.13   0.31  -0.04
    72   1     0.14  -0.05  -0.01    -0.05   0.02   0.00    -0.31   0.05   0.03
    73   1     0.15   0.14   0.05    -0.04  -0.05  -0.03    -0.06  -0.05  -0.01
    74   1     0.08   0.06   0.03    -0.06   0.02  -0.01    -0.00  -0.00  -0.00
    75   1     0.07   0.18   0.06     0.05   0.12   0.05     0.09   0.17   0.08
    76   1     0.06  -0.02  -0.02    -0.17   0.13  -0.00    -0.45   0.07   0.10
    77   1    -0.13  -0.15   0.10     0.19   0.34  -0.22    -0.07  -0.10   0.06
    78   1    -0.02  -0.02   0.01    -0.37   0.06   0.07     0.32  -0.01  -0.07
    79   1    -0.02   0.04  -0.06    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    80   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    81   1     0.08   0.01   0.06     0.03   0.00   0.02     0.00   0.00   0.00
    82   1     0.03  -0.08   0.12     0.01  -0.03   0.05     0.00  -0.00   0.01
    83   1     0.01   0.07  -0.06     0.00   0.02  -0.02    -0.00   0.00   0.00
    84   1     0.06   0.05  -0.01     0.02   0.02  -0.00     0.00   0.00  -0.00
    85   1    -0.01   0.01  -0.02    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    86   1     0.01  -0.00   0.01     0.00   0.01  -0.00     0.00   0.00  -0.00
    87   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01    -0.03  -0.02  -0.03
    88   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.02  -0.01
    89   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.10  -0.04   0.03
    90   1     0.02   0.01   0.03     0.02   0.01   0.02     0.07   0.05   0.08
    91   1    -0.01  -0.01  -0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    92   1     0.01  -0.02  -0.01     0.01  -0.02  -0.01    -0.00  -0.01  -0.01
    93   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    94   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.04  -0.03
    95   1    -0.01   0.01   0.01    -0.04   0.02   0.04     0.01  -0.02  -0.02
    96   1    -0.00  -0.00  -0.00     0.02   0.05   0.02    -0.01  -0.01  -0.00
    97   1     0.03  -0.00  -0.02    -0.10   0.01   0.08    -0.01  -0.00   0.00
    98   1     0.01  -0.04  -0.04    -0.04   0.10   0.09    -0.00   0.01   0.01
    99   1     0.00   0.05   0.03    -0.03  -0.32  -0.20     0.00   0.05   0.03
   100   1     0.02   0.02  -0.00    -0.20  -0.19   0.02     0.04   0.03  -0.00
   101   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
   102   1    -0.00  -0.02  -0.01     0.01   0.13   0.08    -0.00  -0.02  -0.01
   103   1     0.00   0.02   0.08     0.00   0.00   0.01     0.00   0.03   0.09
   104   1     0.02   0.03   0.02    -0.00   0.00   0.00     0.02   0.04   0.03
   105   1    -0.01   0.02  -0.01     0.00   0.00  -0.00    -0.01   0.01  -0.00
   106   1     0.01   0.03  -0.01     0.00   0.00  -0.00     0.01   0.03  -0.01
   107   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
   108   1    -0.05  -0.11   0.02    -0.00   0.00  -0.00    -0.05  -0.13   0.03
   109   1     0.04   0.01  -0.01     0.00  -0.00  -0.00     0.04   0.05  -0.01
   110   1    -0.05   0.00   0.03    -0.00   0.00   0.00    -0.04   0.00   0.03
   111   1     0.03   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.00   0.01
   112   1    -0.06  -0.00   0.01    -0.00   0.00   0.00    -0.06  -0.01   0.01
   113  17    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
                    220                    221                    222
                      A                      A                      A
 Frequencies --   1303.6223              1313.8303              1315.8473
 Red. masses --      2.6380                 1.8734                 1.6620
 Frc consts  --      2.6414                 1.9053                 1.6955
 IR Inten    --     13.6944               174.9839                62.4455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04   0.01    -0.01  -0.02   0.00     0.02   0.02  -0.00
     2   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.00  -0.00   0.00
     3   6     0.06  -0.14  -0.01    -0.01   0.02   0.00    -0.02  -0.01  -0.00
     4   6    -0.01  -0.04   0.00     0.02   0.03  -0.01    -0.00  -0.00   0.00
     5   6     0.03   0.05  -0.01    -0.01  -0.00   0.00     0.00  -0.01   0.00
     6   6     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
     7   6     0.04   0.13   0.02    -0.11  -0.01  -0.03     0.04   0.01   0.01
     8   6     0.02   0.07   0.01     0.07   0.06   0.03    -0.00  -0.02  -0.00
     9   6    -0.05  -0.04   0.01    -0.08  -0.03   0.00    -0.03   0.01  -0.00
    10   6    -0.02   0.02  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.02   0.00    -0.00   0.00  -0.00
    12   6    -0.05   0.01  -0.01     0.06  -0.08   0.00    -0.02   0.03  -0.00
    13   6    -0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    14   6     0.03  -0.03   0.00     0.02   0.03   0.02    -0.00  -0.00  -0.00
    15   7     0.02   0.02  -0.01     0.06   0.01  -0.02     0.07  -0.02  -0.01
    16   6     0.03  -0.02   0.00    -0.05  -0.00   0.01    -0.11   0.03   0.01
    17   6     0.01  -0.06   0.03     0.01  -0.00  -0.00    -0.01   0.08  -0.03
    18   7    -0.00   0.03  -0.01     0.01   0.01  -0.01     0.03  -0.03   0.01
    19   6     0.01   0.02  -0.01     0.01  -0.00  -0.00     0.01  -0.02   0.01
    20   6    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.01  -0.02   0.01
    21   6    -0.02   0.03  -0.01    -0.01  -0.00   0.00     0.01  -0.04   0.02
    22   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.02  -0.00  -0.00
    23   7    -0.05   0.03  -0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    24   7    -0.04  -0.02  -0.02     0.04   0.01   0.03    -0.01  -0.00  -0.01
    25   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    26   6     0.03   0.04  -0.01    -0.02  -0.00  -0.01     0.01   0.00   0.01
    27   6    -0.00   0.01  -0.01    -0.01  -0.01  -0.00     0.00   0.00   0.00
    28   6    -0.01  -0.01   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
    29   6     0.03  -0.02   0.05    -0.02   0.03  -0.06     0.01  -0.01   0.02
    30   6     0.03  -0.04  -0.02     0.01   0.01   0.01    -0.01  -0.01  -0.01
    31   6    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.00
    32   6    -0.01   0.01   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    33   6     0.07   0.02   0.06     0.00   0.01   0.01    -0.01  -0.01  -0.01
    34   6     0.00  -0.01  -0.01     0.00   0.01   0.00     0.00   0.02   0.01
    35   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    36   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    37   6     0.00  -0.01  -0.01     0.00   0.00  -0.00     0.01   0.01   0.00
    38   6    -0.01  -0.01  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
    39   6     0.01   0.01  -0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
    40   6    -0.00   0.02  -0.02    -0.01  -0.02   0.02     0.00   0.01  -0.01
    41   6     0.01  -0.01   0.02    -0.02   0.01  -0.02     0.01  -0.00   0.01
    42   6     0.01   0.02  -0.01     0.01  -0.00   0.01    -0.00   0.00  -0.00
    43   6    -0.01  -0.02   0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    44   6     0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    45   6    -0.01   0.00  -0.01     0.01  -0.00   0.01    -0.00   0.00  -0.00
    46   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    48   6    -0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    49   6     0.03   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6    -0.01  -0.02  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.00
    51   6    -0.00   0.02   0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    52   6     0.01   0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    55   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    56   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
    57   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    58   6    -0.00  -0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    59   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    60   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    61   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   8     0.10   0.02  -0.05     0.07   0.01  -0.03     0.07   0.01  -0.03
    63  15    -0.06  -0.01   0.03    -0.04  -0.01   0.02    -0.05  -0.00   0.02
    64   8     0.01   0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
    65   8     0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01   0.01
    66   6    -0.01  -0.01  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    67   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.01
    69   6     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.02  -0.01  -0.04
    70   1    -0.22   0.56  -0.00    -0.01   0.04  -0.02     0.04  -0.09   0.01
    71   1     0.09  -0.08   0.01     0.05  -0.13   0.01    -0.03   0.07  -0.01
    72   1     0.21  -0.01  -0.03     0.14  -0.01  -0.01    -0.08   0.00   0.01
    73   1    -0.19  -0.28  -0.11     0.31   0.49   0.18    -0.13  -0.19  -0.07
    74   1     0.02  -0.02   0.00    -0.24   0.01  -0.05     0.07  -0.01   0.02
    75   1    -0.03  -0.14  -0.04    -0.27  -0.41  -0.21     0.10   0.15   0.08
    76   1    -0.25   0.04   0.05     0.10  -0.01  -0.02     0.49  -0.07  -0.11
    77   1    -0.03  -0.05   0.03     0.04   0.04  -0.03     0.10   0.14  -0.08
    78   1     0.18  -0.01  -0.04    -0.06   0.01   0.01    -0.36   0.02   0.07
    79   1    -0.00  -0.02   0.02    -0.02   0.05  -0.06     0.01  -0.02   0.03
    80   1    -0.01  -0.01   0.00     0.03   0.04  -0.02    -0.01  -0.02   0.01
    81   1    -0.10  -0.01  -0.07     0.14   0.02   0.10    -0.06  -0.01  -0.04
    82   1    -0.03   0.07  -0.11     0.05  -0.10   0.14    -0.02   0.04  -0.06
    83   1    -0.01  -0.05   0.04    -0.00  -0.04   0.04     0.00   0.02  -0.02
    84   1    -0.05  -0.05   0.01    -0.02  -0.01  -0.01     0.01   0.01   0.00
    85   1     0.01  -0.00   0.01    -0.03   0.01  -0.03     0.01  -0.00   0.01
    86   1    -0.01  -0.02   0.01     0.03   0.07  -0.05    -0.01  -0.03   0.02
    87   1     0.04   0.04   0.05     0.03   0.01   0.02    -0.02  -0.01  -0.02
    88   1    -0.01   0.03   0.02    -0.00   0.02   0.01     0.00  -0.01  -0.01
    89   1    -0.18   0.06  -0.05    -0.03   0.01  -0.01     0.03  -0.01   0.01
    90   1    -0.13  -0.09  -0.15    -0.03  -0.02  -0.03     0.03   0.02   0.03
    91   1     0.00   0.02   0.02    -0.02  -0.04  -0.04     0.01   0.03   0.03
    92   1    -0.02   0.03   0.02     0.03  -0.03  -0.01    -0.02   0.02   0.01
    93   1     0.03   0.00   0.02     0.02   0.00   0.01    -0.01  -0.00  -0.01
    94   1     0.00   0.06   0.05     0.01   0.03   0.03    -0.01  -0.02  -0.02
    95   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.02   0.03   0.03
    96   1    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    97   1    -0.02  -0.00   0.01    -0.01   0.00   0.00     0.03   0.00  -0.02
    98   1    -0.01   0.02   0.02    -0.00   0.01   0.01     0.01  -0.03  -0.02
    99   1     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.01  -0.07  -0.04
   100   1     0.02   0.01  -0.00    -0.01  -0.01   0.00    -0.06  -0.05   0.01
   101   1     0.01  -0.00  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.02
   102   1    -0.00  -0.02  -0.01     0.00   0.01   0.00     0.00   0.04   0.02
   103   1     0.00   0.03   0.07     0.01   0.04   0.06     0.00   0.02   0.05
   104   1     0.02   0.03   0.02     0.01   0.02   0.02     0.02   0.05   0.05
   105   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
   106   1     0.00   0.02  -0.01     0.00   0.01  -0.01     0.01   0.03  -0.01
   107   1    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00  -0.00   0.00
   108   1    -0.04  -0.11   0.02    -0.06  -0.16   0.04    -0.13  -0.39   0.09
   109   1     0.03   0.04  -0.01     0.04   0.07  -0.01     0.13   0.32  -0.07
   110   1    -0.04   0.00   0.03    -0.04   0.00   0.02    -0.04   0.02   0.06
   111   1     0.03  -0.00   0.01     0.03   0.00   0.01     0.10   0.04   0.04
   112   1    -0.05  -0.01   0.01    -0.06  -0.02   0.01    -0.14  -0.04   0.01
   113  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                    223                    224                    225
                      A                      A                      A
 Frequencies --   1320.2817              1322.0519              1329.7338
 Red. masses --      1.1683                 1.2499                 4.1369
 Frc consts  --      1.1999                 1.2872                 4.3097
 IR Inten    --     30.2111                42.1581                68.6704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.04   0.01   0.00
     3   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.03  -0.06  -0.00
     4   6     0.01  -0.00   0.00    -0.01   0.01  -0.00     0.10  -0.18   0.02
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04   0.06  -0.01
     7   6     0.00   0.00   0.00     0.00  -0.01   0.00    -0.11   0.10  -0.03
     8   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.01  -0.14  -0.02
     9   6    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.12  -0.07   0.04
    10   6    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.10   0.22  -0.07
    11   6     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.06   0.09   0.03
    12   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.05  -0.12  -0.01
    13   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.08   0.04  -0.01
    14   6     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.03   0.05   0.02
    15   7     0.02  -0.00  -0.00    -0.03   0.00   0.01    -0.08   0.01   0.01
    16   6    -0.02   0.01   0.00     0.04  -0.01  -0.00     0.03   0.04  -0.03
    17   6    -0.00   0.02  -0.01     0.01  -0.02   0.01    -0.01  -0.01   0.01
    18   7     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.03  -0.06   0.03
    19   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.01   0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.03   0.00   0.00
    21   6     0.00  -0.01   0.00    -0.00   0.01  -0.01     0.02  -0.04   0.02
    22   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.03   0.01  -0.01
    23   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.02  -0.00
    24   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.05   0.03
    25   7    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01  -0.03  -0.02
    26   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.02   0.06  -0.05
    27   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02   0.01   0.01
    29   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.03  -0.02
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.02
    31   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.00   0.01
    32   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.02
    34   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.04   0.02
    35   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02   0.00  -0.01
    37   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.02
    38   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.01
    39   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    40   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.00
    41   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    42   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.03  -0.02
    43   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02  -0.01   0.02
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00   0.01
    45   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01   0.01
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    48   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    49   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.01   0.01
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.01
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    53   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.01  -0.00
    55   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    56   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    57   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.01
    58   6     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.02   0.01
    59   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.01
    60   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    61   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    62   8     0.03   0.01  -0.01    -0.05  -0.01   0.03    -0.04  -0.01   0.02
    63  15    -0.03  -0.00   0.01     0.03   0.00  -0.02     0.03   0.00  -0.01
    64   8     0.03  -0.01   0.02     0.01  -0.01   0.01    -0.01  -0.00   0.00
    65   8     0.01  -0.01  -0.02    -0.01   0.02   0.03    -0.00   0.00   0.01
    66   6     0.00  -0.01  -0.01     0.01  -0.00   0.01     0.01   0.00   0.00
    67   6    -0.05   0.03  -0.02    -0.04   0.03  -0.02    -0.00   0.00  -0.00
    68   6     0.01   0.01  -0.01    -0.01  -0.02   0.01    -0.00  -0.00  -0.00
    69   6    -0.01   0.01   0.03     0.01  -0.01  -0.05    -0.00  -0.00  -0.01
    70   1     0.01  -0.02   0.00    -0.01   0.02  -0.00    -0.06   0.04   0.00
    71   1    -0.01   0.02  -0.00     0.01  -0.03   0.00    -0.12   0.39  -0.04
    72   1    -0.03   0.00   0.00     0.03  -0.01  -0.00    -0.37   0.12   0.02
    73   1    -0.02  -0.03  -0.01     0.02   0.03   0.01     0.03   0.05   0.05
    74   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.08   0.04   0.00
    75   1     0.01   0.02   0.01    -0.01  -0.02  -0.01     0.01   0.02  -0.02
    76   1     0.11  -0.02  -0.03    -0.15   0.02   0.04     0.12  -0.01  -0.03
    77   1     0.03   0.03  -0.02    -0.03  -0.05   0.03     0.04   0.11  -0.05
    78   1    -0.08   0.01   0.02     0.11  -0.01  -0.02    -0.16   0.03   0.03
    79   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.06  -0.10
    80   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.04   0.06  -0.03
    81   1    -0.01  -0.00  -0.01     0.01   0.00   0.01     0.09   0.02   0.05
    82   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.03  -0.07   0.11
    83   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.04  -0.18   0.17
    84   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.17  -0.14   0.00
    85   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.06   0.02  -0.07
    86   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.10  -0.09
    87   1    -0.01  -0.00  -0.01     0.01   0.00   0.00     0.01   0.01   0.02
    88   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.03   0.02
    89   1     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.08   0.03  -0.02
    90   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.06  -0.03  -0.06
    91   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01   0.05   0.04
    92   1    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.04   0.05   0.02
    93   1    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.02  -0.00  -0.02
    94   1    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01  -0.00  -0.01
    95   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.06   0.06
    96   1     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.03   0.06   0.01
    97   1     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.08   0.01  -0.05
    98   1     0.00  -0.01  -0.01    -0.00   0.01   0.01     0.03  -0.08  -0.08
    99   1    -0.00  -0.02  -0.01     0.00   0.03   0.02    -0.02  -0.14  -0.08
   100   1    -0.02  -0.01   0.00     0.02   0.02  -0.00    -0.11  -0.09   0.02
   101   1    -0.01   0.00   0.01     0.01  -0.01  -0.01    -0.05   0.03   0.05
   102   1     0.00   0.01   0.01    -0.00  -0.02  -0.01     0.01   0.09   0.05
   103   1     0.12   0.41   0.41     0.08   0.25   0.22    -0.00  -0.02  -0.04
   104   1    -0.10  -0.38  -0.38    -0.09  -0.33  -0.32    -0.01  -0.03  -0.02
   105   1     0.06  -0.04   0.02     0.04  -0.04   0.02     0.00  -0.01   0.00
   106   1    -0.07  -0.15   0.03    -0.05  -0.13   0.03    -0.00  -0.02   0.01
   107   1     0.13   0.13  -0.01     0.09   0.10  -0.01    -0.01  -0.00  -0.00
   108   1     0.09   0.28  -0.07    -0.13  -0.41   0.10    -0.01  -0.04   0.01
   109   1    -0.11  -0.34   0.07     0.17   0.52  -0.11     0.02   0.09  -0.02
   110   1    -0.00  -0.02  -0.04     0.01   0.03   0.06     0.02   0.00   0.00
   111   1    -0.09  -0.05  -0.04     0.14   0.08   0.06     0.02   0.02   0.01
   112   1     0.09   0.03  -0.00    -0.13  -0.05  -0.00    -0.01  -0.00  -0.00
   113  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    226                    227                    228
                      A                      A                      A
 Frequencies --   1334.4293              1340.6635              1342.0601
 Red. masses --      2.4567                 1.9529                 2.1311
 Frc consts  --      2.5775                 2.0681                 2.2615
 IR Inten    --     15.2181                42.5524                11.7742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09  -0.02     0.00   0.01   0.01     0.00   0.00  -0.00
     2   6    -0.01  -0.09   0.01     0.00  -0.01  -0.00     0.02  -0.01  -0.00
     3   6    -0.02  -0.05   0.00    -0.02   0.01   0.00    -0.02  -0.01   0.00
     4   6     0.09   0.06  -0.01     0.04  -0.00   0.00    -0.04   0.04  -0.00
     5   6     0.01  -0.06   0.01     0.01  -0.02   0.00    -0.01   0.02  -0.00
     6   6    -0.06  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.00
     7   6    -0.01   0.02   0.00    -0.04  -0.01  -0.01     0.05   0.00   0.01
     8   6    -0.02   0.10   0.01     0.02   0.02   0.01    -0.00   0.01   0.00
     9   6     0.02  -0.07   0.02     0.00  -0.04   0.01    -0.03   0.02  -0.01
    10   6    -0.03   0.04  -0.02    -0.01   0.04  -0.02     0.05  -0.06   0.01
    11   6    -0.00  -0.03  -0.01     0.01  -0.01  -0.00    -0.02   0.00  -0.00
    12   6    -0.02   0.03   0.00    -0.01   0.01   0.01     0.00   0.01  -0.01
    13   6     0.04  -0.02   0.00    -0.00  -0.01  -0.01     0.01   0.00   0.00
    14   6     0.01  -0.04  -0.00     0.01   0.00   0.00    -0.01  -0.01  -0.00
    15   7    -0.01   0.03  -0.01    -0.02   0.02  -0.00     0.00   0.01  -0.01
    16   6     0.02  -0.02   0.00     0.03  -0.02   0.00     0.04  -0.05   0.01
    17   6     0.01  -0.04   0.01    -0.02  -0.01   0.01    -0.03   0.03  -0.01
    18   7    -0.03   0.01   0.00    -0.00  -0.01   0.00     0.02   0.00  -0.01
    19   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.03   0.01   0.00
    20   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.01   0.03  -0.02
    21   6     0.01  -0.01   0.01     0.01  -0.02   0.01     0.02  -0.03   0.02
    22   6     0.01   0.01  -0.01    -0.02   0.02  -0.01    -0.06   0.02   0.01
    23   7     0.01   0.08   0.07    -0.01  -0.04  -0.03     0.01   0.01   0.01
    24   7    -0.00   0.02  -0.02     0.02   0.07  -0.05    -0.01  -0.05   0.04
    25   7    -0.00  -0.01  -0.01     0.03  -0.05  -0.05     0.05  -0.05  -0.07
    26   6    -0.00  -0.02   0.02    -0.02  -0.07   0.06     0.01   0.05  -0.04
    27   6     0.01   0.01   0.00     0.04   0.04  -0.01    -0.03  -0.03   0.01
    28   6    -0.01  -0.00  -0.01    -0.05  -0.02  -0.01     0.04   0.02   0.01
    29   6     0.00  -0.01   0.02     0.01  -0.03   0.04    -0.01   0.02  -0.03
    30   6    -0.03  -0.09  -0.09     0.01   0.03   0.03     0.00  -0.00  -0.00
    31   6    -0.02   0.04   0.02     0.02  -0.02  -0.01    -0.01   0.00  -0.00
    32   6     0.05  -0.03   0.00    -0.03   0.02  -0.00     0.01   0.00   0.01
    33   6    -0.03  -0.04  -0.05     0.02   0.01   0.02    -0.01  -0.01  -0.01
    34   6     0.00   0.02   0.01     0.01   0.04   0.02     0.01   0.03   0.01
    35   6    -0.01  -0.01   0.00    -0.04  -0.01   0.02    -0.05   0.01   0.04
    36   6     0.01   0.00  -0.00     0.03  -0.01  -0.03     0.04  -0.03  -0.05
    37   6    -0.00   0.01   0.01    -0.03   0.05   0.05    -0.04   0.07   0.07
    38   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   6     0.01   0.00  -0.00     0.02   0.02  -0.01    -0.01  -0.02   0.01
    40   6     0.00   0.01  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.01
    41   6     0.01  -0.00   0.01     0.02  -0.01   0.03    -0.02   0.01  -0.03
    42   6    -0.01  -0.01   0.01    -0.02  -0.05   0.03     0.01   0.04  -0.03
    43   6    -0.01   0.00  -0.01    -0.02   0.01  -0.03     0.01  -0.01   0.02
    44   6    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02     0.02   0.00   0.01
    45   6     0.00   0.01  -0.00     0.01   0.02  -0.02    -0.01  -0.02   0.01
    46   6     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.00   0.00
    48   6    -0.01   0.02   0.01    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    49   6    -0.03  -0.00  -0.02     0.02   0.01   0.02    -0.01  -0.00  -0.01
    50   6    -0.00  -0.06  -0.05     0.00   0.03   0.02     0.00  -0.00  -0.00
    51   6     0.04   0.01   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    52   6     0.03  -0.01   0.01    -0.02   0.00  -0.01     0.00   0.00   0.00
    53   6     0.00   0.03   0.02    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    54   6     0.00  -0.00  -0.00     0.01  -0.01  -0.02     0.02  -0.03  -0.03
    55   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.03  -0.02   0.01
    56   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.01    -0.02  -0.04  -0.01
    57   6    -0.00   0.00   0.01    -0.02   0.03   0.04    -0.03   0.05   0.05
    58   6     0.00   0.01   0.00     0.01   0.03   0.01     0.02   0.03   0.01
    59   6     0.00  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
    60   6     0.00  -0.00  -0.00     0.02  -0.01  -0.02     0.01  -0.02  -0.02
    61   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.02   0.01
    62   8    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    63  15     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    64   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    66   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    67   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    69   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    70   1    -0.09   0.08  -0.01     0.01  -0.02   0.01     0.02   0.00  -0.00
    71   1    -0.01  -0.02  -0.01    -0.01   0.02  -0.01     0.03  -0.07   0.01
    72   1    -0.09  -0.01  -0.01    -0.01   0.02   0.01     0.10  -0.03  -0.01
    73   1     0.09   0.11   0.05     0.07   0.07   0.05    -0.07  -0.08  -0.05
    74   1    -0.05  -0.02  -0.00     0.02  -0.02   0.02    -0.03   0.01  -0.02
    75   1    -0.11  -0.22  -0.10    -0.03  -0.07  -0.03     0.02   0.04   0.02
    76   1    -0.07   0.02   0.01    -0.06   0.01   0.01    -0.10   0.02   0.02
    77   1     0.01   0.03  -0.02     0.00   0.02   0.00    -0.03  -0.02   0.03
    78   1     0.03   0.02  -0.01     0.07   0.02  -0.01     0.14   0.01  -0.02
    79   1     0.02  -0.03   0.05     0.05  -0.09   0.13    -0.03   0.05  -0.09
    80   1    -0.02  -0.03   0.02    -0.08  -0.10   0.05     0.05   0.07  -0.03
    81   1    -0.06  -0.01  -0.04    -0.15  -0.03  -0.09     0.10   0.02   0.06
    82   1    -0.02   0.05  -0.08    -0.06   0.12  -0.19     0.04  -0.09   0.13
    83   1     0.01   0.06  -0.06     0.06   0.26  -0.23    -0.05  -0.20   0.18
    84   1     0.06   0.05   0.00     0.24   0.18   0.00    -0.19  -0.14  -0.00
    85   1     0.03  -0.01   0.03     0.13  -0.05   0.16    -0.11   0.04  -0.14
    86   1    -0.01  -0.05   0.04    -0.04  -0.19   0.16     0.04   0.16  -0.14
    87   1    -0.16  -0.08  -0.15     0.07   0.04   0.07    -0.03  -0.02  -0.03
    88   1     0.03  -0.14  -0.09    -0.02   0.08   0.05     0.01  -0.03  -0.02
    89   1     0.21  -0.08   0.04    -0.10   0.04  -0.02     0.04  -0.02   0.01
    90   1     0.18   0.11   0.20    -0.09  -0.05  -0.10     0.03   0.02   0.03
    91   1     0.10   0.30   0.31    -0.04  -0.13  -0.13     0.01   0.01   0.02
    92   1    -0.22   0.29   0.10     0.09  -0.12  -0.04    -0.01   0.01   0.00
    93   1    -0.19  -0.01  -0.11     0.10   0.00   0.06    -0.00   0.00  -0.00
    94   1    -0.06  -0.19  -0.19     0.03   0.09   0.09    -0.00  -0.00  -0.00
    95   1    -0.01   0.03   0.03    -0.06   0.14   0.13    -0.10   0.23   0.22
    96   1     0.02   0.03   0.01     0.09   0.15   0.04     0.14   0.26   0.07
    97   1     0.04   0.00  -0.02     0.21   0.01  -0.13     0.32   0.02  -0.20
    98   1     0.01  -0.04  -0.03     0.09  -0.19  -0.19     0.14  -0.28  -0.28
    99   1    -0.01  -0.06  -0.04    -0.02  -0.15  -0.09    -0.01  -0.12  -0.08
   100   1    -0.05  -0.04   0.01    -0.11  -0.09   0.02    -0.08  -0.06   0.01
   101   1    -0.02   0.01   0.03    -0.07   0.03   0.07    -0.04   0.01   0.03
   102   1     0.01   0.04   0.02     0.02   0.11   0.06     0.01   0.06   0.03
   103   1    -0.00  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
   104   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   106   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   107   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
   109   1     0.01   0.02  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
   110   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   111   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   112   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   113  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                    229                    230                    231
                      A                      A                      A
 Frequencies --   1345.5108              1345.9931              1346.0833
 Red. masses --      1.9288                 1.9397                 1.9303
 Frc consts  --      2.0573                 2.0705                 2.0607
 IR Inten    --      2.0562                 4.6547                 1.9174
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
     2   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.01  -0.00
     3   6     0.00  -0.01   0.00    -0.02   0.01   0.00    -0.01   0.02   0.00
     4   6     0.01  -0.01   0.00    -0.01   0.02  -0.00     0.01   0.02  -0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     6   6    -0.01   0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.03  -0.01   0.01    -0.01  -0.02  -0.01
     8   6    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
     9   6     0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    11   6     0.01   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.00   0.00    -0.01   0.01  -0.00     0.02   0.00   0.01
    13   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    14   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.01   0.01   0.00
    15   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.01  -0.01   0.00     0.00  -0.01   0.00
    17   6    -0.01  -0.01   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.02   0.02  -0.01     0.00  -0.01   0.00
    22   6     0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    23   7     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01
    24   7    -0.01  -0.00  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   7    -0.01  -0.01  -0.00    -0.00  -0.04  -0.02    -0.00   0.01   0.00
    26   6    -0.01   0.01  -0.02     0.01   0.01  -0.00    -0.03   0.01  -0.03
    27   6     0.01  -0.04   0.05    -0.01   0.00  -0.01     0.03  -0.07   0.09
    28   6    -0.00   0.04  -0.05     0.01  -0.01   0.02    -0.01   0.08  -0.09
    29   6    -0.00  -0.02   0.02    -0.00   0.01  -0.01    -0.01  -0.04   0.04
    30   6     0.04   0.01   0.03    -0.01   0.00  -0.01    -0.02   0.00  -0.01
    31   6    -0.07  -0.05  -0.07     0.03   0.01   0.03     0.04   0.02   0.04
    32   6     0.04   0.07   0.08    -0.02  -0.02  -0.03    -0.03  -0.03  -0.05
    33   6    -0.01  -0.04  -0.04     0.01   0.02   0.02     0.01   0.02   0.02
    34   6    -0.01   0.02   0.02    -0.02   0.05   0.04    -0.00  -0.01  -0.00
    35   6     0.00  -0.04  -0.03     0.00  -0.11  -0.07     0.00   0.01   0.00
    36   6     0.01   0.04   0.02     0.02   0.11   0.05    -0.00  -0.01  -0.00
    37   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.01     0.00  -0.00  -0.00
    38   6    -0.01   0.02  -0.04     0.00  -0.01   0.01    -0.03   0.05  -0.07
    39   6     0.02  -0.01   0.02    -0.01  -0.00  -0.00     0.03  -0.01   0.03
    40   6     0.02   0.01   0.00    -0.01  -0.01   0.00     0.04   0.02   0.01
    41   6    -0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.02   0.02
    42   6    -0.01   0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
    43   6     0.02   0.01   0.01    -0.00  -0.00   0.00     0.04   0.02   0.01
    44   6     0.01   0.02  -0.01     0.00  -0.00   0.01     0.02   0.04  -0.03
    45   6    -0.01  -0.03   0.03     0.00   0.01  -0.01    -0.01  -0.07   0.06
    46   6     0.06   0.03   0.05    -0.02  -0.01  -0.02    -0.03  -0.02  -0.03
    47   6    -0.04  -0.00  -0.02     0.02  -0.00   0.01     0.02  -0.00   0.01
    48   6    -0.03   0.03   0.01     0.01  -0.01  -0.00     0.02  -0.02  -0.00
    49   6    -0.01  -0.02  -0.02     0.01   0.01   0.01     0.01   0.01   0.02
    50   6     0.02   0.00   0.01    -0.01   0.01   0.00    -0.01   0.01   0.00
    51   6    -0.04   0.03  -0.00     0.01  -0.01  -0.00     0.02  -0.02  -0.00
    52   6     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.01  -0.02  -0.02
    53   6    -0.02  -0.06  -0.06     0.01   0.02   0.02     0.01   0.03   0.03
    54   6    -0.01   0.02   0.02    -0.03   0.06   0.06     0.00  -0.00  -0.00
    55   6     0.01  -0.01  -0.01     0.02  -0.03  -0.03     0.00   0.00   0.00
    56   6     0.02   0.01  -0.01     0.04   0.01  -0.02    -0.00   0.00   0.00
    57   6    -0.01  -0.00   0.00    -0.02  -0.00   0.01     0.00  -0.00  -0.00
    58   6    -0.00   0.01   0.01    -0.00   0.04   0.03    -0.00  -0.00  -0.00
    59   6     0.02   0.00  -0.01     0.05   0.01  -0.03    -0.00   0.00   0.00
    60   6     0.01   0.01   0.00     0.03   0.04   0.00    -0.00  -0.00   0.00
    61   6    -0.01  -0.03  -0.02    -0.01  -0.08  -0.04     0.00   0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    63  15     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    64   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    65   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    67   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    69   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    70   1    -0.01   0.01  -0.01     0.02  -0.02   0.01     0.01  -0.03   0.01
    71   1     0.03  -0.04   0.00    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    72   1     0.04   0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.00   0.00
    73   1     0.01   0.02   0.01    -0.02  -0.02  -0.02     0.03   0.04   0.02
    74   1    -0.02   0.00  -0.00    -0.00  -0.00  -0.00    -0.04   0.01  -0.01
    75   1    -0.04  -0.05  -0.03     0.02   0.03   0.02    -0.04  -0.04  -0.02
    76   1    -0.03   0.00   0.01    -0.09   0.00   0.03     0.00   0.00  -0.00
    77   1    -0.00  -0.01   0.01    -0.03  -0.04   0.03     0.00   0.00  -0.00
    78   1     0.01   0.00  -0.00     0.07   0.00  -0.01    -0.00   0.00  -0.00
    79   1     0.07  -0.11   0.17    -0.03   0.05  -0.07     0.13  -0.23   0.34
    80   1    -0.08  -0.14   0.08     0.04   0.06  -0.03    -0.16  -0.27   0.16
    81   1    -0.12  -0.03  -0.07     0.06   0.01   0.04    -0.23  -0.05  -0.13
    82   1    -0.05   0.06  -0.11     0.03  -0.04   0.07    -0.09   0.12  -0.21
    83   1    -0.03  -0.07   0.05    -0.00  -0.03   0.03    -0.04  -0.11   0.08
    84   1    -0.09  -0.06  -0.01    -0.02  -0.01   0.00    -0.15  -0.10  -0.02
    85   1    -0.08   0.05  -0.12    -0.01  -0.00  -0.00    -0.15   0.09  -0.22
    86   1     0.03   0.14  -0.12     0.00   0.00  -0.00     0.07   0.26  -0.22
    87   1    -0.25  -0.14  -0.24     0.11   0.06   0.11     0.16   0.09   0.16
    88   1     0.03  -0.25  -0.18    -0.02   0.11   0.08    -0.02   0.17   0.12
    89   1     0.22  -0.10   0.04    -0.10   0.04  -0.02    -0.15   0.07  -0.03
    90   1     0.16   0.07   0.14    -0.07  -0.03  -0.07    -0.11  -0.05  -0.10
    91   1    -0.02  -0.13  -0.11    -0.00   0.02   0.02    -0.00   0.04   0.03
    92   1     0.13  -0.15  -0.04    -0.03   0.04   0.01    -0.05   0.05   0.01
    93   1     0.22   0.03   0.15    -0.07  -0.01  -0.05    -0.10  -0.02  -0.07
    94   1     0.07   0.24   0.22    -0.02  -0.08  -0.07    -0.03  -0.12  -0.11
    95   1     0.04  -0.08  -0.08     0.10  -0.19  -0.19    -0.00  -0.00  -0.00
    96   1    -0.04  -0.08  -0.03    -0.09  -0.20  -0.07    -0.00  -0.00   0.00
    97   1    -0.05  -0.01   0.03    -0.10  -0.02   0.05    -0.01  -0.00   0.01
    98   1    -0.02   0.02   0.03    -0.04   0.03   0.04    -0.00   0.01   0.01
    99   1    -0.02  -0.10  -0.05    -0.06  -0.28  -0.15     0.00   0.03   0.01
   100   1    -0.10  -0.07   0.02    -0.26  -0.20   0.05     0.02   0.02  -0.00
   101   1    -0.09   0.06   0.10    -0.24   0.17   0.28     0.02  -0.01  -0.02
   102   1     0.02   0.15   0.08     0.07   0.42   0.22    -0.00  -0.03  -0.02
   103   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   106   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   107   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   108   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
   109   1     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
   110   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   111   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
   112   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   113  17    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    232                    233                    234
                      A                      A                      A
 Frequencies --   1352.4511              1356.3700              1371.0076
 Red. masses --      3.6510                 6.2716                 5.2979
 Frc consts  --      3.9346                 6.7980                 5.8673
 IR Inten    --     22.4436                 7.9837                79.8828
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.13  -0.00    -0.06  -0.09   0.01    -0.09  -0.08   0.01
     2   6    -0.00  -0.09   0.00    -0.04   0.12   0.00    -0.05   0.14   0.00
     3   6    -0.10  -0.01   0.00     0.12   0.05  -0.01     0.11   0.01  -0.01
     4   6     0.12   0.05  -0.01    -0.07  -0.12   0.02    -0.06  -0.17   0.03
     5   6     0.04  -0.12   0.01    -0.03   0.07  -0.01    -0.03   0.06  -0.00
     6   6    -0.08   0.02   0.00     0.11   0.00  -0.01     0.14   0.01  -0.02
     7   6     0.10  -0.01   0.03     0.08  -0.07   0.02     0.09  -0.03   0.03
     8   6    -0.06   0.12  -0.00    -0.07   0.11  -0.01    -0.05   0.17   0.00
     9   6     0.04  -0.07   0.02     0.04  -0.00  -0.00     0.00  -0.13   0.04
    10   6    -0.05   0.07  -0.03    -0.04   0.02   0.00    -0.03   0.14  -0.05
    11   6    -0.05  -0.08  -0.02    -0.06  -0.09  -0.02    -0.07  -0.11  -0.03
    12   6    -0.05   0.11  -0.01    -0.03   0.07  -0.00    -0.05   0.08  -0.00
    13   6     0.09  -0.02   0.02     0.10  -0.01   0.02     0.13  -0.02   0.03
    14   6    -0.04  -0.08  -0.03    -0.04  -0.06  -0.03    -0.04  -0.07  -0.02
    15   7    -0.00   0.02  -0.00     0.00  -0.03   0.02    -0.01   0.05  -0.02
    16   6    -0.01   0.01  -0.00    -0.11   0.22  -0.08     0.06  -0.09   0.03
    17   6     0.02  -0.04   0.02    -0.03  -0.19   0.09    -0.00   0.10  -0.04
    18   7    -0.04   0.00   0.01    -0.01   0.03  -0.01     0.04  -0.06   0.01
    19   6     0.01   0.01  -0.00     0.18  -0.03  -0.03    -0.11   0.02   0.02
    20   6    -0.01  -0.01   0.01    -0.09  -0.14   0.08     0.04   0.07  -0.04
    21   6    -0.00  -0.00   0.00    -0.10   0.20  -0.04     0.05  -0.14   0.04
    22   6     0.04   0.01  -0.01     0.20  -0.04  -0.03    -0.12   0.04   0.01
    23   7    -0.06  -0.04  -0.05     0.04  -0.01   0.01     0.04  -0.03  -0.00
    24   7     0.00  -0.04   0.04     0.03   0.01   0.02     0.02   0.02   0.01
    25   7    -0.02   0.01   0.02    -0.05  -0.07  -0.01     0.07   0.04  -0.03
    26   6     0.02   0.02  -0.01    -0.01  -0.01   0.00     0.00  -0.02   0.02
    27   6    -0.04  -0.02  -0.01    -0.02  -0.02   0.01    -0.03  -0.02   0.00
    28   6     0.04   0.01   0.02     0.01   0.01  -0.01     0.01   0.01   0.00
    29   6    -0.02   0.00  -0.02    -0.02  -0.00  -0.01    -0.01  -0.01  -0.00
    30   6    -0.00   0.03   0.02     0.00   0.01   0.01     0.03   0.02   0.03
    31   6     0.05  -0.07  -0.03    -0.02   0.03   0.02    -0.03   0.05   0.02
    32   6    -0.05   0.05   0.01     0.01  -0.02  -0.01     0.01  -0.02  -0.01
    33   6     0.05  -0.01   0.02    -0.02   0.01  -0.01    -0.02   0.01  -0.00
    34   6     0.00  -0.00  -0.01     0.05   0.04  -0.00    -0.04  -0.02   0.01
    35   6     0.01   0.02   0.00    -0.05  -0.01   0.03     0.03  -0.00  -0.02
    36   6    -0.01  -0.01  -0.00     0.08  -0.00  -0.05    -0.07  -0.00   0.05
    37   6     0.02  -0.00  -0.02    -0.00  -0.01  -0.00    -0.00   0.05   0.03
    38   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    39   6    -0.02  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    40   6     0.01  -0.01   0.01     0.01  -0.00   0.01     0.01   0.00   0.01
    41   6    -0.01   0.02  -0.04    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    42   6     0.01   0.03  -0.03    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    43   6    -0.00  -0.01   0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.01
    44   6     0.03  -0.00   0.02     0.01   0.01   0.00     0.02   0.00   0.01
    45   6     0.00   0.00  -0.00     0.00  -0.01   0.01     0.01   0.01  -0.00
    46   6     0.01   0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    47   6     0.01  -0.05  -0.03    -0.00   0.02   0.01     0.00   0.02   0.01
    48   6    -0.03  -0.00  -0.02     0.02  -0.00   0.01     0.02  -0.00   0.01
    49   6     0.05   0.02   0.05    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    50   6     0.01   0.05   0.04    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
    51   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03   0.01  -0.00
    52   6    -0.05   0.02  -0.02     0.02  -0.01   0.00     0.04  -0.01   0.01
    53   6    -0.01  -0.01  -0.01     0.01   0.00   0.01     0.00  -0.01  -0.01
    54   6     0.00  -0.01  -0.01    -0.00  -0.02  -0.01     0.01   0.00  -0.01
    55   6     0.00   0.01   0.01    -0.04  -0.04   0.00     0.04   0.04  -0.00
    56   6    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.02  -0.02   0.00
    57   6     0.01  -0.01  -0.01    -0.01   0.03   0.03     0.00  -0.02  -0.01
    58   6    -0.00  -0.01  -0.01     0.01   0.07   0.03    -0.01  -0.05  -0.03
    59   6    -0.01  -0.00   0.00    -0.02  -0.03  -0.01     0.02   0.03   0.01
    60   6    -0.01  -0.00   0.00     0.03  -0.02  -0.04    -0.02   0.02   0.03
    61   6    -0.00   0.01   0.01    -0.00   0.03   0.02     0.00  -0.03  -0.02
    62   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    63  15    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    64   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    65   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    67   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    69   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    70   1    -0.01  -0.07   0.04     0.06  -0.15  -0.03     0.09  -0.22  -0.03
    71   1    -0.09   0.19  -0.04    -0.03   0.07   0.01    -0.06   0.17   0.01
    72   1    -0.19   0.04   0.04    -0.17   0.04   0.01    -0.28   0.07   0.02
    73   1     0.03   0.02  -0.02     0.13   0.18   0.03     0.17   0.25   0.06
    74   1    -0.05  -0.01  -0.01    -0.14   0.01  -0.03    -0.26   0.01  -0.05
    75   1     0.01  -0.01   0.01    -0.04  -0.06  -0.01    -0.11  -0.18  -0.07
    76   1     0.04   0.01  -0.01    -0.05  -0.02   0.01     0.22  -0.01  -0.05
    77   1     0.04   0.07  -0.04     0.05   0.06  -0.01     0.02   0.04  -0.03
    78   1    -0.06   0.01   0.00    -0.04  -0.02   0.04     0.05   0.03  -0.03
    79   1    -0.04   0.08  -0.12     0.02  -0.02   0.03     0.01  -0.01   0.02
    80   1     0.08   0.11  -0.06     0.00  -0.01   0.01     0.01   0.00   0.00
    81   1     0.11   0.02   0.06     0.01  -0.00   0.02     0.01  -0.00   0.01
    82   1     0.05  -0.09   0.13     0.01  -0.02   0.03     0.01  -0.02   0.02
    83   1    -0.03  -0.13   0.11    -0.00  -0.02   0.01     0.00   0.01  -0.02
    84   1    -0.10  -0.07  -0.00    -0.01  -0.00  -0.01     0.03   0.03  -0.00
    85   1    -0.09   0.03  -0.10    -0.05   0.02  -0.06    -0.04   0.02  -0.05
    86   1     0.02   0.10  -0.09     0.03   0.08  -0.06     0.02   0.05  -0.04
    87   1     0.08   0.05   0.08     0.01   0.00   0.01     0.02   0.01   0.01
    88   1    -0.04   0.13   0.08     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    89   1    -0.16   0.06  -0.04     0.04  -0.01   0.01     0.03  -0.01   0.01
    90   1    -0.16  -0.09  -0.16     0.05   0.03   0.05     0.04   0.02   0.04
    91   1    -0.05  -0.20  -0.20     0.01   0.04   0.03    -0.00  -0.00  -0.01
    92   1     0.14  -0.17  -0.05    -0.03   0.02   0.00     0.02  -0.04  -0.02
    93   1     0.25   0.01   0.15    -0.10  -0.01  -0.07    -0.11  -0.01  -0.07
    94   1     0.06   0.23   0.21    -0.02  -0.11  -0.10    -0.02  -0.09  -0.08
    95   1    -0.01   0.01   0.01    -0.11   0.20   0.21     0.08  -0.13  -0.14
    96   1    -0.01  -0.00   0.00     0.13   0.24   0.07    -0.09  -0.17  -0.05
    97   1    -0.04   0.00   0.03     0.11   0.02  -0.06     0.04  -0.01  -0.04
    98   1    -0.02   0.04   0.04     0.06  -0.11  -0.11    -0.00  -0.01  -0.00
    99   1     0.01   0.05   0.03    -0.02  -0.19  -0.10     0.02   0.11   0.06
   100   1     0.05   0.03  -0.01    -0.11  -0.10   0.01     0.06   0.05  -0.00
   101   1     0.05  -0.03  -0.06    -0.07   0.02   0.07     0.03   0.00  -0.02
   102   1    -0.02  -0.09  -0.05    -0.00   0.03   0.02     0.01   0.04   0.01
   103   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   104   1     0.00   0.00  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.01
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   106   1     0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
   107   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   108   1     0.00   0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.04   0.01
   109   1     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
   110   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
   111   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01  -0.01
   112   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
   113  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    235                    236                    237
                      A                      A                      A
 Frequencies --   1382.1196              1383.3950              1385.2918
 Red. masses --      3.6148                 3.8784                 4.0934
 Frc consts  --      4.0685                 4.3732                 4.6282
 IR Inten    --    135.5495               169.6975                75.5779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.04   0.02   0.01     0.01   0.01  -0.00
     2   6     0.00  -0.00   0.00     0.02  -0.02  -0.00     0.00  -0.01   0.00
     3   6    -0.03  -0.03   0.00    -0.04  -0.02   0.00    -0.00   0.00   0.00
     4   6     0.04  -0.00  -0.00     0.05   0.00  -0.00    -0.00   0.01  -0.00
     5   6     0.03   0.00  -0.00     0.03  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.06   0.02   0.00    -0.06   0.02   0.00    -0.01  -0.00   0.00
     7   6     0.00  -0.01  -0.00    -0.05   0.03  -0.01    -0.00  -0.00  -0.00
     8   6    -0.01   0.00  -0.00     0.03  -0.02   0.01    -0.00  -0.01  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.02  -0.01
    10   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.02   0.01
    11   6     0.01   0.01   0.00     0.03  -0.00   0.01     0.00   0.01   0.00
    12   6     0.05   0.02   0.02    -0.07   0.01  -0.01     0.01  -0.01  -0.00
    13   6     0.02   0.00   0.01    -0.06  -0.01  -0.02    -0.01   0.00  -0.00
    14   6    -0.01   0.01   0.00     0.04  -0.01   0.01     0.00   0.00   0.00
    15   7     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01  -0.01   0.01
    16   6     0.00  -0.00  -0.00     0.00   0.01  -0.00     0.01   0.03  -0.02
    17   6    -0.00  -0.01   0.01     0.00  -0.02   0.01     0.01  -0.04   0.02
    18   7    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.02  -0.00
    19   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.03   0.02  -0.02
    20   6    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.02
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.05  -0.01   0.02
    22   6     0.02   0.00  -0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    23   7     0.11  -0.08  -0.01     0.05  -0.05  -0.01     0.00   0.01   0.01
    24   7    -0.08  -0.04  -0.02     0.08   0.06  -0.00    -0.00  -0.01   0.00
    25   7    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.07   0.03  -0.03
    26   6    -0.03   0.06  -0.09     0.07  -0.09   0.15    -0.01   0.01  -0.01
    27   6     0.07   0.09  -0.03    -0.15  -0.14   0.02     0.02   0.01   0.00
    28   6     0.06  -0.02   0.07    -0.00   0.05  -0.05    -0.01  -0.00  -0.00
    29   6    -0.02  -0.07   0.06    -0.00   0.03  -0.03     0.00   0.01  -0.00
    30   6     0.09   0.05   0.09     0.08   0.04   0.08    -0.01  -0.00  -0.01
    31   6    -0.05   0.12   0.07    -0.05   0.10   0.05     0.01  -0.01  -0.00
    32   6    -0.12   0.00  -0.06    -0.04  -0.02  -0.04    -0.01   0.01  -0.00
    33   6    -0.03  -0.09  -0.09    -0.01  -0.03  -0.03    -0.00  -0.01  -0.01
    34   6    -0.00   0.01   0.01     0.00  -0.00  -0.01     0.09  -0.11  -0.13
    35   6     0.01   0.01  -0.00    -0.00  -0.01  -0.00    -0.10  -0.16  -0.03
    36   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.13   0.06   0.13
    37   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.06   0.17   0.07
    38   6    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.00  -0.00   0.01
    39   6    -0.05  -0.04  -0.00     0.02  -0.01   0.02     0.00   0.01  -0.00
    40   6     0.05   0.03   0.00    -0.01  -0.02   0.01    -0.01  -0.00  -0.00
    41   6     0.00   0.01  -0.01    -0.02   0.01  -0.03     0.00  -0.00   0.01
    42   6     0.00  -0.02   0.02     0.01   0.07  -0.06    -0.00  -0.01   0.01
    43   6     0.07   0.02   0.03    -0.13  -0.05  -0.05     0.01   0.01   0.00
    44   6    -0.07  -0.01  -0.05     0.13   0.00   0.10    -0.01   0.00  -0.01
    45   6    -0.01  -0.02   0.02     0.02   0.06  -0.05    -0.00  -0.01   0.01
    46   6     0.02   0.00   0.01    -0.00  -0.00  -0.01     0.01   0.00   0.01
    47   6     0.06  -0.07  -0.02     0.03  -0.02   0.00     0.00  -0.01  -0.01
    48   6    -0.06   0.06   0.02    -0.01   0.02   0.01    -0.01   0.01  -0.00
    49   6     0.01   0.02   0.02    -0.01   0.00  -0.01     0.01   0.00   0.01
    50   6    -0.02  -0.02  -0.03    -0.02  -0.03  -0.04     0.00   0.00   0.00
    51   6    -0.08   0.05  -0.01    -0.07   0.05  -0.00     0.01  -0.01   0.00
    52   6     0.10  -0.04   0.02     0.09  -0.03   0.03    -0.01   0.00  -0.00
    53   6    -0.00  -0.02  -0.02    -0.00  -0.03  -0.03    -0.00   0.01   0.00
    54   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.04  -0.04
    55   6    -0.00   0.00   0.00     0.01   0.01   0.00     0.11   0.10  -0.01
    56   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.12  -0.06   0.04
    57   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.01  -0.06  -0.05
    58   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.06   0.04
    59   6     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.13  -0.04   0.06
    60   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.13   0.00  -0.08
    61   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.05   0.03
    62   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    64   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    66   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    68   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    69   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    70   1    -0.00  -0.00  -0.00    -0.03   0.10   0.00    -0.01   0.03   0.00
    71   1     0.09  -0.11   0.01     0.07  -0.09   0.00     0.01  -0.01  -0.00
    72   1     0.17  -0.01  -0.01     0.20  -0.01  -0.02     0.02  -0.00  -0.00
    73   1    -0.02  -0.03  -0.01    -0.04  -0.11  -0.03    -0.02  -0.02  -0.01
    74   1    -0.07   0.01  -0.02     0.27  -0.05   0.06     0.01   0.00   0.00
    75   1    -0.08  -0.08  -0.05     0.13   0.12   0.08     0.01   0.01   0.00
    76   1    -0.03   0.01   0.00    -0.02   0.01   0.00     0.07   0.02  -0.03
    77   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.05   0.10  -0.05
    78   1    -0.03   0.01   0.00    -0.02   0.00   0.00    -0.02  -0.00   0.00
    79   1    -0.05   0.07  -0.12     0.03  -0.05   0.07    -0.00   0.00  -0.00
    80   1     0.09   0.16  -0.10    -0.04  -0.09   0.06    -0.00  -0.01   0.00
    81   1    -0.15  -0.01  -0.10     0.11   0.01   0.08     0.01   0.00   0.00
    82   1    -0.03   0.07  -0.10     0.04  -0.09   0.13    -0.00   0.00  -0.01
    83   1    -0.01  -0.09   0.08     0.01   0.08  -0.07    -0.00  -0.01   0.01
    84   1    -0.16  -0.13   0.01     0.23   0.19  -0.01    -0.02  -0.02   0.00
    85   1     0.13  -0.07   0.18    -0.22   0.11  -0.29     0.02  -0.01   0.02
    86   1    -0.04  -0.12   0.10     0.05   0.17  -0.15    -0.01  -0.01   0.01
    87   1     0.14   0.07   0.13     0.06   0.03   0.06     0.00   0.00   0.00
    88   1    -0.02   0.23   0.16    -0.00   0.09   0.07    -0.00   0.02   0.01
    89   1     0.22  -0.07   0.06     0.11  -0.04   0.03     0.02  -0.01   0.00
    90   1     0.10   0.07   0.11     0.07   0.05   0.07    -0.00  -0.00   0.00
    91   1    -0.05  -0.10  -0.10    -0.03  -0.06  -0.05     0.00   0.00   0.00
    92   1     0.14  -0.20  -0.08     0.10  -0.15  -0.06    -0.01   0.01   0.00
    93   1    -0.26  -0.04  -0.17    -0.21  -0.03  -0.13     0.01   0.00   0.01
    94   1    -0.04  -0.16  -0.15    -0.03  -0.11  -0.11     0.00   0.01   0.01
    95   1    -0.01   0.01   0.01    -0.00  -0.00  -0.00     0.06  -0.13  -0.13
    96   1     0.00   0.01   0.00    -0.01  -0.02  -0.01    -0.16  -0.34  -0.11
    97   1    -0.01   0.00   0.01     0.01   0.00  -0.01     0.29   0.01  -0.18
    98   1    -0.01   0.01   0.01    -0.00  -0.00   0.00     0.05  -0.14  -0.12
    99   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.01   0.17   0.10
   100   1    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.27   0.23  -0.04
   101   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.22   0.17   0.26
   102   1    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00     0.03   0.16   0.09
   103   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   104   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
   106   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   107   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
   109   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
   110   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
   112   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
   113  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    238                    239                    240
                      A                      A                      A
 Frequencies --   1387.3558              1388.8528              1390.1922
 Red. masses --      5.9170                 6.9710                 6.7971
 Frc consts  --      6.7101                 7.9224                 7.7397
 IR Inten    --     13.4263                 3.2952                 6.6208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.03   0.04   0.02     0.01   0.00   0.00
     2   6    -0.02   0.01   0.00     0.04  -0.05  -0.00    -0.01   0.00   0.00
     3   6     0.04  -0.03  -0.00    -0.09   0.02   0.00     0.01   0.00  -0.00
     4   6    -0.03  -0.01   0.00     0.05   0.03  -0.01     0.01  -0.02   0.00
     5   6    -0.01   0.02  -0.00     0.05  -0.07   0.00     0.00  -0.02   0.00
     6   6     0.02  -0.01   0.00    -0.07   0.03  -0.00     0.02   0.01  -0.00
     7   6     0.06   0.02   0.02     0.06   0.00   0.02     0.01   0.00   0.00
     8   6    -0.03   0.02  -0.01    -0.01   0.00  -0.00    -0.01   0.02  -0.00
     9   6     0.01   0.00   0.00     0.01   0.00  -0.00     0.00  -0.03   0.01
    10   6     0.00  -0.01   0.00    -0.01   0.01  -0.00    -0.02   0.04  -0.01
    11   6    -0.03   0.00  -0.01    -0.03  -0.01  -0.01    -0.01  -0.01  -0.00
    12   6     0.00  -0.02  -0.02    -0.00   0.02  -0.01    -0.00   0.01  -0.00
    13   6     0.03   0.01   0.01     0.03   0.01   0.01     0.02  -0.00   0.00
    14   6    -0.02  -0.02  -0.01    -0.03  -0.03  -0.01    -0.01  -0.01  -0.00
    15   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    16   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00     0.01  -0.07   0.03
    17   6     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.06   0.09  -0.05
    18   7     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.02   0.01
    19   6    -0.01  -0.00   0.00     0.01   0.00  -0.00    -0.09  -0.01   0.03
    20   6     0.01   0.00  -0.00    -0.01  -0.01   0.01     0.07   0.05  -0.03
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.03  -0.04  -0.02
    22   6    -0.01  -0.00   0.00     0.02   0.00  -0.01    -0.06  -0.02   0.02
    23   7     0.02   0.04   0.04    -0.06  -0.08  -0.09    -0.03  -0.00  -0.01
    24   7    -0.00  -0.06   0.06    -0.00  -0.06   0.06     0.00   0.00  -0.00
    25   7     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.06   0.11   0.10
    26   6     0.02   0.02  -0.01    -0.03   0.05  -0.07    -0.00  -0.00   0.00
    27   6     0.06  -0.02   0.06     0.09   0.04   0.03    -0.00   0.00  -0.00
    28   6    -0.19  -0.01  -0.15    -0.12  -0.02  -0.07     0.00  -0.00   0.00
    29   6     0.09   0.20  -0.13     0.05   0.11  -0.08    -0.00  -0.00   0.00
    30   6     0.01  -0.02  -0.01     0.12   0.06   0.11     0.03   0.01   0.02
    31   6     0.05   0.00   0.03    -0.13   0.12   0.02    -0.02   0.03   0.01
    32   6    -0.16   0.04  -0.05     0.18  -0.09   0.03     0.02  -0.02  -0.00
    33   6     0.00  -0.14  -0.11     0.02   0.16   0.13     0.01   0.01   0.01
    34   6    -0.01   0.00   0.01    -0.01   0.01   0.01     0.11  -0.13  -0.15
    35   6     0.00   0.01   0.00     0.02   0.01  -0.01    -0.19  -0.13   0.04
    36   6     0.02  -0.00  -0.01    -0.02  -0.00   0.01     0.19   0.05  -0.10
    37   6    -0.01  -0.02  -0.01     0.01   0.02   0.01    -0.03  -0.18  -0.09
    38   6     0.04  -0.08   0.11     0.03  -0.05   0.08    -0.00   0.00  -0.00
    39   6     0.16   0.16  -0.05     0.09   0.10  -0.03    -0.00  -0.00   0.00
    40   6    -0.20  -0.08  -0.07    -0.12  -0.05  -0.04     0.00   0.00   0.00
    41   6     0.04  -0.09   0.12     0.03  -0.05   0.07    -0.00   0.00  -0.00
    42   6    -0.01  -0.02   0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    43   6     0.02   0.01   0.01     0.07   0.04   0.02    -0.00   0.00  -0.00
    44   6    -0.00   0.02  -0.03    -0.06   0.01  -0.06    -0.00   0.00  -0.00
    45   6    -0.02  -0.03   0.01    -0.02  -0.05   0.04     0.00   0.00   0.00
    46   6     0.06   0.04   0.06    -0.10  -0.04  -0.09    -0.01   0.00  -0.01
    47   6     0.06  -0.13  -0.07    -0.06   0.15   0.09    -0.00   0.01   0.01
    48   6    -0.13   0.09   0.00     0.16  -0.11   0.00     0.01  -0.01  -0.00
    49   6     0.07   0.04   0.07    -0.09  -0.05  -0.09    -0.00  -0.00  -0.00
    50   6    -0.00   0.01   0.01    -0.02  -0.08  -0.07    -0.01  -0.02  -0.02
    51   6     0.01  -0.01  -0.00    -0.12   0.10   0.01    -0.03   0.03   0.00
    52   6    -0.01  -0.01  -0.01     0.14  -0.01   0.07     0.04  -0.00   0.02
    53   6    -0.01   0.02   0.01    -0.01  -0.09  -0.08    -0.01  -0.02  -0.02
    54   6    -0.00   0.01   0.01     0.01  -0.01  -0.01    -0.06   0.07   0.09
    55   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.10  -0.14  -0.02
    56   6     0.02   0.01  -0.01    -0.02  -0.01   0.01     0.15   0.07  -0.06
    57   6    -0.00   0.01   0.01     0.01  -0.01  -0.01    -0.04   0.07   0.07
    58   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.03   0.14   0.07
    59   6     0.01   0.00  -0.00     0.01   0.01  -0.01    -0.19  -0.10   0.07
    60   6    -0.01  -0.00   0.00    -0.01   0.00   0.01     0.16  -0.05  -0.14
    61   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.03   0.15   0.07
    62   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    64   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    65   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    67   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    70   1    -0.01  -0.02  -0.01     0.00   0.05   0.02    -0.00  -0.02   0.00
    71   1    -0.01   0.02   0.00    -0.02   0.10  -0.02    -0.04   0.09  -0.01
    72   1    -0.09  -0.00   0.00     0.08   0.01   0.00    -0.10   0.02   0.01
    73   1    -0.01   0.03  -0.01    -0.02  -0.01  -0.03     0.03   0.05   0.01
    74   1    -0.13   0.03  -0.03    -0.03   0.02  -0.01    -0.05   0.01  -0.01
    75   1    -0.02  -0.01  -0.01     0.06   0.11   0.05    -0.02  -0.02  -0.01
    76   1     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.09  -0.03  -0.01
    77   1    -0.01  -0.01   0.01     0.01   0.03  -0.02    -0.06  -0.14   0.05
    78   1     0.01  -0.00  -0.00    -0.02   0.01   0.00    -0.02  -0.03   0.00
    79   1     0.04  -0.07   0.12     0.02  -0.03   0.06     0.00  -0.00   0.00
    80   1    -0.20  -0.31   0.18    -0.10  -0.15   0.08     0.00   0.00  -0.00
    81   1     0.32   0.05   0.19     0.19   0.03   0.11    -0.00  -0.00  -0.00
    82   1     0.02  -0.06   0.07     0.01  -0.03   0.04    -0.00   0.00  -0.00
    83   1     0.00   0.04  -0.05    -0.00  -0.01   0.01     0.00   0.00  -0.00
    84   1     0.01   0.00   0.00    -0.11  -0.09  -0.00     0.00   0.00   0.00
    85   1    -0.02   0.03  -0.04     0.06  -0.02   0.07     0.00  -0.00   0.00
    86   1    -0.02  -0.02   0.01    -0.02  -0.04   0.03     0.00  -0.00   0.00
    87   1     0.06   0.03   0.07    -0.07  -0.02  -0.06    -0.02  -0.00  -0.01
    88   1    -0.04   0.24   0.16     0.04  -0.21  -0.14     0.00  -0.01  -0.01
    89   1     0.24  -0.09   0.05    -0.28   0.11  -0.06    -0.03   0.01  -0.01
    90   1     0.04   0.03   0.04    -0.03  -0.02  -0.03    -0.01  -0.00  -0.01
    91   1    -0.02  -0.03  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.01
    92   1     0.01  -0.01  -0.00     0.15  -0.20  -0.07     0.04  -0.05  -0.01
    93   1    -0.03  -0.01  -0.03    -0.17  -0.01  -0.10    -0.04  -0.00  -0.03
    94   1    -0.01   0.02   0.01     0.00  -0.06  -0.06     0.00   0.00   0.00
    95   1    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.07   0.08   0.11
    96   1     0.02   0.03   0.01    -0.02  -0.03  -0.01     0.11   0.20   0.06
    97   1    -0.03  -0.00   0.02     0.03   0.00  -0.02    -0.28  -0.01   0.18
    98   1    -0.00   0.01   0.01     0.00  -0.00  -0.00    -0.03   0.06   0.06
    99   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.04   0.02
   100   1    -0.01  -0.01   0.00    -0.02  -0.02   0.00     0.27   0.22  -0.05
   101   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.18   0.11   0.19
   102   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.02   0.06   0.03
   103   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
   104   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   106   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   107   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   108   1    -0.00  -0.01   0.00     0.01   0.02  -0.00    -0.01  -0.03   0.00
   109   1    -0.00  -0.01   0.00     0.01   0.02  -0.00    -0.01  -0.03   0.01
   110   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
   111   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
   112   1    -0.00   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.00   0.00
   113  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    241                    242                    243
                      A                      A                      A
 Frequencies --   1397.8271              1401.7924              1402.3834
 Red. masses --      5.8833                 3.9898                 2.7789
 Frc consts  --      6.7729                 4.6192                 3.2200
 IR Inten    --     68.8303               147.0085                20.7908
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15   0.08   0.00    -0.09   0.01   0.00     0.01   0.01  -0.00
     2   6    -0.01   0.04   0.00     0.02   0.00  -0.00     0.00  -0.01   0.00
     3   6    -0.04  -0.07   0.00    -0.02  -0.04   0.00    -0.00   0.01  -0.00
     4   6     0.07  -0.04   0.00     0.04  -0.04   0.00    -0.00   0.01  -0.00
     5   6     0.06   0.03  -0.01     0.04   0.02  -0.01     0.00  -0.01   0.00
     6   6    -0.10   0.03   0.00    -0.06   0.03   0.00    -0.01  -0.00   0.00
     7   6    -0.00  -0.02  -0.01    -0.01   0.06   0.00    -0.00  -0.01  -0.00
     8   6    -0.02   0.01  -0.01     0.03   0.03   0.02    -0.01  -0.01  -0.00
     9   6     0.01  -0.02   0.01    -0.00  -0.02   0.01     0.01   0.02  -0.01
    10   6    -0.03   0.04  -0.01    -0.02   0.03  -0.01     0.00  -0.02   0.01
    11   6     0.02   0.03   0.01     0.01  -0.04   0.00     0.00   0.01   0.00
    12   6     0.09   0.04   0.03    -0.15   0.03  -0.05     0.02  -0.00   0.01
    13   6     0.05  -0.00   0.01    -0.08  -0.02  -0.02     0.00   0.00   0.00
    14   6    -0.02   0.02  -0.00     0.05  -0.06  -0.00    -0.00   0.01   0.00
    15   7    -0.00   0.01  -0.00    -0.01   0.01  -0.00    -0.02  -0.01   0.01
    16   6     0.01  -0.01   0.00     0.02   0.00  -0.01     0.03   0.04  -0.02
    17   6    -0.01  -0.00   0.00     0.01  -0.02   0.01     0.03  -0.08   0.03
    18   7    -0.01  -0.00   0.00    -0.01   0.00   0.00    -0.02   0.03  -0.01
    19   6    -0.01   0.00   0.00     0.00   0.02  -0.01     0.02   0.06  -0.03
    20   6     0.00   0.01  -0.00    -0.03  -0.02   0.01    -0.07  -0.07   0.04
    21   6     0.02  -0.01  -0.00    -0.02  -0.04   0.02    -0.09  -0.07   0.05
    22   6     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.02  -0.01
    23   7     0.24  -0.16   0.01     0.11  -0.04   0.02    -0.01   0.00  -0.00
    24   7    -0.15  -0.07  -0.05     0.20   0.04   0.10    -0.03  -0.01  -0.01
    25   7    -0.03   0.00   0.02     0.05   0.04  -0.01     0.17   0.10  -0.06
    26   6     0.06   0.01   0.03    -0.07   0.01  -0.06     0.01   0.00   0.01
    27   6     0.00  -0.03   0.03     0.02   0.05  -0.03    -0.00  -0.00   0.00
    28   6    -0.00   0.03  -0.03    -0.05  -0.04   0.00     0.01   0.01  -0.00
    29   6     0.06   0.04   0.01    -0.05   0.00  -0.05     0.01  -0.00   0.01
    30   6    -0.13   0.04  -0.04    -0.05   0.00  -0.02     0.00   0.00   0.00
    31   6    -0.02  -0.07  -0.06    -0.00  -0.03  -0.02    -0.00   0.00   0.00
    32   6     0.02   0.05   0.05    -0.02   0.03   0.01     0.00  -0.00  -0.00
    33   6    -0.08   0.08   0.01    -0.03   0.01  -0.02     0.00   0.00   0.00
    34   6     0.01  -0.01  -0.01    -0.01  -0.02  -0.00    -0.05  -0.04   0.00
    35   6    -0.01  -0.01  -0.00    -0.02   0.00   0.01    -0.04   0.01   0.03
    36   6     0.01   0.01  -0.01     0.01  -0.01  -0.01     0.00  -0.03  -0.02
    37   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.00    -0.05  -0.04   0.01
    38   6    -0.00  -0.05   0.04     0.02   0.03  -0.02    -0.00  -0.01   0.00
    39   6     0.04   0.05  -0.02    -0.01  -0.02   0.01     0.00   0.00  -0.00
    40   6    -0.06  -0.00  -0.04     0.01  -0.02   0.03    -0.00   0.00  -0.00
    41   6     0.02  -0.04   0.06    -0.02   0.04  -0.06     0.00  -0.01   0.01
    42   6     0.01   0.06  -0.05    -0.02  -0.09   0.07     0.00   0.01  -0.01
    43   6    -0.05  -0.05   0.01     0.09   0.07   0.00    -0.01  -0.01   0.00
    44   6     0.04  -0.01   0.05    -0.06   0.02  -0.07     0.01  -0.00   0.01
    45   6    -0.01   0.04  -0.05     0.00  -0.07   0.08    -0.00   0.01  -0.01
    46   6    -0.02  -0.07  -0.06     0.00  -0.02  -0.01    -0.00   0.00  -0.00
    47   6    -0.03   0.08   0.04     0.00   0.01   0.01    -0.00   0.00   0.00
    48   6     0.10  -0.02   0.03     0.01   0.01   0.01     0.00  -0.00  -0.00
    49   6    -0.08  -0.05  -0.08    -0.02  -0.02  -0.03     0.00   0.00   0.00
    50   6     0.03   0.11   0.10     0.01   0.04   0.04    -0.00  -0.00  -0.00
    51   6     0.08  -0.11  -0.04     0.04  -0.05  -0.02    -0.00   0.01   0.00
    52   6    -0.12   0.01  -0.06    -0.05   0.00  -0.03     0.00  -0.00   0.00
    53   6     0.06   0.07   0.09     0.02   0.04   0.04    -0.00  -0.00  -0.00
    54   6    -0.01  -0.00   0.00    -0.01   0.03   0.02    -0.00   0.07   0.05
    55   6    -0.00  -0.00   0.00    -0.02  -0.03  -0.01    -0.03  -0.06  -0.01
    56   6     0.00   0.01   0.00     0.03   0.00  -0.02     0.07  -0.00  -0.05
    57   6     0.00  -0.00  -0.00    -0.01   0.02   0.02    -0.03   0.06   0.06
    58   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.01  -0.07  -0.04
    59   6    -0.02  -0.01   0.00    -0.00   0.01   0.01     0.02   0.04   0.01
    60   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.02
    61   6    -0.00   0.02   0.01     0.01  -0.00  -0.01     0.02  -0.03  -0.04
    62   8    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.01  -0.00   0.01
    63  15     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.01
    64   8    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    65   8    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.02   0.02  -0.00
    66   6     0.00   0.00   0.00    -0.01  -0.01  -0.01     0.00   0.00   0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00   0.00  -0.00
    68   6     0.00   0.01  -0.00    -0.02  -0.03   0.00     0.04   0.07  -0.01
    69   6     0.01   0.00   0.00    -0.03  -0.00  -0.01     0.05   0.01   0.01
    70   1     0.03  -0.09  -0.01    -0.02   0.09  -0.01    -0.01   0.02   0.00
    71   1     0.18  -0.22   0.01     0.09  -0.08   0.00    -0.00   0.00  -0.00
    72   1     0.36  -0.02  -0.03     0.24  -0.00  -0.03     0.01  -0.00   0.00
    73   1    -0.05  -0.09  -0.02    -0.01  -0.06  -0.03    -0.02  -0.03  -0.01
    74   1    -0.15   0.02  -0.04     0.40  -0.07   0.08    -0.03   0.01  -0.01
    75   1    -0.14  -0.16  -0.10     0.25   0.22   0.15    -0.02  -0.01  -0.01
    76   1    -0.03   0.00   0.00     0.09   0.02  -0.03     0.22   0.04  -0.08
    77   1     0.00   0.01  -0.01     0.05   0.10  -0.06     0.15   0.28  -0.15
    78   1    -0.05   0.01   0.00    -0.02   0.01  -0.01     0.02   0.01  -0.02
    79   1    -0.07   0.06  -0.12     0.09  -0.07   0.15    -0.01   0.01  -0.02
    80   1    -0.03  -0.04   0.02     0.02   0.01   0.00    -0.00   0.00  -0.00
    81   1     0.03   0.02  -0.00     0.11   0.00   0.09    -0.01  -0.00  -0.01
    82   1    -0.03   0.04  -0.06     0.06  -0.09   0.13    -0.01   0.01  -0.02
    83   1    -0.02  -0.06   0.05     0.01   0.06  -0.04    -0.00  -0.01   0.01
    84   1     0.02   0.00   0.02    -0.09  -0.05  -0.03     0.01   0.00   0.00
    85   1    -0.04   0.01  -0.05     0.03  -0.01   0.04    -0.00   0.00  -0.00
    86   1    -0.05  -0.11   0.08     0.06   0.16  -0.12    -0.01  -0.02   0.02
    87   1     0.19   0.05   0.14     0.08   0.02   0.06    -0.01  -0.00  -0.01
    88   1     0.02  -0.08  -0.05     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    89   1     0.01   0.02   0.03     0.07  -0.02   0.02    -0.01   0.00  -0.00
    90   1     0.09   0.04   0.08     0.06   0.03   0.05    -0.01  -0.00  -0.01
    91   1    -0.02  -0.08  -0.06    -0.01  -0.02  -0.01     0.00   0.00   0.00
    92   1    -0.08   0.07  -0.00    -0.05   0.05   0.01     0.01  -0.01  -0.00
    93   1     0.11   0.00   0.07     0.03   0.00   0.02    -0.00   0.00  -0.00
    94   1    -0.01  -0.19  -0.15    -0.01  -0.08  -0.07     0.00   0.01   0.01
    95   1    -0.02   0.02   0.02     0.03  -0.04  -0.04     0.09  -0.12  -0.13
    96   1     0.00   0.01   0.00     0.01   0.02   0.00     0.02   0.02   0.00
    97   1    -0.03   0.00   0.02    -0.04  -0.01   0.02    -0.03  -0.02  -0.00
    98   1    -0.01   0.02   0.02     0.01  -0.01  -0.01     0.04  -0.07  -0.06
    99   1    -0.00  -0.01  -0.00     0.01   0.05   0.02     0.03   0.14   0.07
   100   1     0.02   0.01  -0.01     0.03   0.03  -0.00     0.07   0.08   0.00
   101   1    -0.01   0.00   0.01     0.01   0.00  -0.00     0.02   0.01  -0.01
   102   1    -0.01  -0.02  -0.01     0.02   0.05   0.02     0.06   0.17   0.07
   103   1    -0.01  -0.02  -0.02     0.01   0.06   0.05    -0.00  -0.02  -0.02
   104   1    -0.01  -0.02  -0.02     0.03   0.05   0.05    -0.01  -0.02  -0.02
   105   1    -0.01  -0.02   0.01     0.03   0.04  -0.01     0.00  -0.00  -0.00
   106   1    -0.00  -0.02   0.00     0.00   0.03   0.00     0.00  -0.01   0.01
   107   1    -0.01  -0.01  -0.00     0.03   0.02   0.01    -0.01   0.00   0.00
   108   1    -0.02  -0.06   0.01     0.07   0.18  -0.02    -0.17  -0.42   0.04
   109   1    -0.02  -0.04   0.01     0.08   0.16  -0.04    -0.17  -0.36   0.10
   110   1    -0.03  -0.01  -0.01     0.13   0.04   0.02    -0.26  -0.09  -0.05
   111   1    -0.01  -0.02  -0.01     0.05   0.07   0.04    -0.11  -0.13  -0.10
   112   1    -0.02  -0.01   0.01     0.08   0.04  -0.04    -0.17  -0.07   0.08
   113  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    244                    245                    246
                      A                      A                      A
 Frequencies --   1403.8957              1407.7490              1431.6517
 Red. masses --      1.5044                 1.2722                 1.2898
 Frc consts  --      1.7469                 1.4855                 1.5576
 IR Inten    --      7.2044                20.1415                20.3337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.01  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.03  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.02   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.01   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7    -0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    20   6    -0.03  -0.02   0.02     0.01   0.01  -0.01     0.00  -0.00  -0.00
    21   6    -0.03  -0.03   0.02     0.01   0.01  -0.01     0.00   0.00  -0.00
    22   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   7    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   7    -0.04  -0.01  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    25   7     0.06   0.04  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    26   6     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    28   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    33   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    34   6    -0.02  -0.02  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    35   6    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    36   6     0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6    -0.02  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    38   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    39   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    41   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   6     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    43   6    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    44   6     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    45   6    -0.00   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    51   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    52   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    53   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    54   6    -0.00   0.02   0.02     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    55   6    -0.01  -0.02  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
    56   6     0.02  -0.00  -0.02    -0.01   0.00   0.01    -0.00  -0.00   0.00
    57   6    -0.01   0.02   0.02     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    58   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
    59   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    61   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
    62   8     0.01   0.00  -0.01    -0.03  -0.01   0.01    -0.00   0.00   0.00
    63  15    -0.01   0.01   0.01     0.02   0.00  -0.01    -0.00  -0.00  -0.00
    64   8     0.00  -0.00  -0.02     0.00  -0.00  -0.03     0.00   0.00   0.00
    65   8     0.02  -0.03   0.00    -0.01   0.01   0.00    -0.01   0.01  -0.00
    66   6    -0.02  -0.03  -0.02    -0.03  -0.07  -0.04    -0.00  -0.01  -0.00
    67   6    -0.02  -0.03   0.01    -0.05  -0.07   0.02     0.01   0.02   0.01
    68   6    -0.05  -0.08   0.01     0.02   0.03  -0.00     0.05   0.07  -0.00
    69   6    -0.07  -0.01  -0.01     0.02   0.00   0.01    -0.09  -0.10  -0.00
    70   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    71   1    -0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    72   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   1     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   1    -0.07   0.01  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    75   1    -0.06  -0.06  -0.04     0.01   0.01   0.00     0.00   0.00   0.00
    76   1     0.09   0.02  -0.03    -0.04  -0.00   0.02    -0.00  -0.00  -0.00
    77   1     0.05   0.09  -0.05    -0.02  -0.04   0.02     0.00   0.00  -0.00
    78   1    -0.01   0.00  -0.00     0.02  -0.00  -0.00     0.01  -0.00  -0.00
    79   1    -0.02   0.02  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    80   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1    -0.02  -0.00  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    82   1    -0.01   0.02  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   1    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   1     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    85   1    -0.01   0.00  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    86   1    -0.01  -0.04   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    87   1    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    88   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    89   1    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    90   1    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    91   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    92   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    94   1     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    95   1     0.03  -0.04  -0.05    -0.01   0.02   0.02    -0.00   0.00   0.00
    96   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    97   1    -0.01  -0.01   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    98   1     0.01  -0.03  -0.02    -0.00   0.01   0.01     0.00  -0.00  -0.00
    99   1     0.01   0.05   0.03    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
   100   1     0.03   0.03   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   101   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   102   1     0.02   0.06   0.02    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00
   103   1     0.04   0.16   0.14     0.09   0.40   0.30     0.01   0.03   0.03
   104   1     0.08   0.15   0.13     0.19   0.34   0.29     0.01   0.03   0.03
   105   1     0.09   0.13  -0.03     0.23   0.32  -0.09    -0.04  -0.05   0.02
   106   1     0.01   0.13  -0.00     0.02   0.33   0.01    -0.01  -0.06  -0.03
   107   1     0.10   0.06   0.03     0.27   0.16   0.09    -0.03  -0.04  -0.04
   108   1     0.20   0.48  -0.04    -0.08  -0.19   0.01    -0.11  -0.34   0.04
   109   1     0.20   0.42  -0.12    -0.07  -0.14   0.04    -0.10  -0.31   0.08
   110   1     0.32   0.10   0.06    -0.10  -0.04  -0.02     0.47   0.09   0.14
   111   1     0.13   0.17   0.12    -0.04  -0.04  -0.04     0.21   0.43   0.03
   112   1     0.21   0.10  -0.10    -0.07  -0.03   0.03     0.24   0.39  -0.14
   113  17     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    247                    248                    249
                      A                      A                      A
 Frequencies --   1436.3126              1453.9136              1466.2503
 Red. masses --      1.3119                 3.5489                 4.2703
 Frc consts  --      1.5946                 4.4200                 5.4092
 IR Inten    --     14.0254                21.7233                 7.0677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.06   0.08  -0.01     0.00   0.20  -0.01
     2   6    -0.00   0.00  -0.00    -0.11   0.07   0.00    -0.09  -0.03   0.01
     3   6    -0.00  -0.00   0.00     0.10  -0.09   0.01     0.11  -0.15  -0.01
     4   6     0.00   0.00   0.00     0.04   0.08  -0.01    -0.05   0.06  -0.01
     5   6    -0.00   0.00  -0.00    -0.11   0.05   0.00    -0.01  -0.03   0.00
     6   6     0.00  -0.00   0.00     0.10  -0.09   0.00     0.04  -0.05   0.00
     7   6     0.00   0.00   0.00    -0.14  -0.10  -0.04     0.09   0.11   0.03
     8   6     0.00   0.00   0.00    -0.02   0.11   0.01    -0.06  -0.04  -0.02
     9   6    -0.00  -0.00   0.00     0.00  -0.04   0.00     0.02   0.04  -0.01
    10   6    -0.00   0.00   0.00     0.01  -0.02  -0.01    -0.01  -0.04   0.01
    11   6     0.00  -0.00   0.00     0.13   0.03   0.04    -0.05   0.06  -0.01
    12   6    -0.00   0.00  -0.00    -0.02   0.14   0.01    -0.03  -0.18  -0.03
    13   6    -0.00  -0.00  -0.00    -0.12  -0.08  -0.04     0.02   0.03   0.01
    14   6     0.00   0.00   0.00     0.11   0.01   0.03     0.01   0.03   0.01
    15   7     0.00  -0.00   0.00     0.01   0.01  -0.00     0.02  -0.03   0.01
    16   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.06   0.03  -0.00
    17   6    -0.00   0.00  -0.00     0.02  -0.02   0.00     0.16   0.01  -0.04
    18   7     0.00  -0.00  -0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
    19   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.04  -0.04   0.02
    20   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.08   0.01  -0.02
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.08  -0.01
    22   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.05  -0.07   0.04
    23   7     0.00  -0.00  -0.00    -0.02  -0.03  -0.01     0.03  -0.06  -0.01
    24   7     0.00   0.00   0.00    -0.01  -0.05   0.01     0.04   0.04   0.00
    25   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.02  -0.02
    26   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.02   0.02  -0.00    -0.04  -0.02  -0.01
    28   6    -0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.02  -0.03   0.02
    29   6    -0.00   0.00  -0.00    -0.02  -0.00  -0.01     0.03   0.01   0.02
    30   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01  -0.02  -0.01
    31   6    -0.00   0.00   0.00    -0.01   0.02   0.01    -0.04   0.03   0.00
    32   6    -0.00   0.00  -0.00     0.01   0.00   0.01    -0.00   0.04   0.03
    33   6     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.02   0.01
    34   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.01  -0.01
    35   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.02   0.02
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.01   0.01
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00     0.02  -0.02   0.03    -0.01   0.03  -0.05
    39   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.01   0.02
    40   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.02     0.03  -0.00   0.03
    41   6    -0.00   0.00  -0.00     0.02  -0.00   0.02    -0.03   0.02  -0.04
    42   6    -0.00  -0.00   0.00    -0.01   0.01  -0.02     0.00  -0.02   0.03
    43   6     0.00   0.00  -0.00     0.03   0.02   0.01    -0.03  -0.01  -0.01
    44   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.01   0.02  -0.02
    45   6     0.00  -0.00   0.00    -0.02  -0.02   0.00     0.02  -0.00   0.02
    46   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.02    -0.04  -0.03  -0.05
    47   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.02   0.02
    48   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.04  -0.00   0.02
    49   6    -0.00  -0.00  -0.00    -0.01   0.01  -0.00    -0.05  -0.01  -0.04
    50   6     0.00   0.00   0.00     0.01  -0.00   0.00     0.02   0.02   0.03
    51   6    -0.00   0.00  -0.00    -0.02   0.02   0.01    -0.03   0.02   0.00
    52   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.03
    53   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.03  -0.00   0.01
    54   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    56   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    57   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.02   0.01
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    59   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.02   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.01
    61   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.02
    62   8     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    63  15    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    64   8    -0.00   0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    65   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    66   6     0.04   0.07   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    67   6    -0.06  -0.11  -0.05     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    69   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    70   1     0.00  -0.00  -0.00     0.04  -0.34   0.03    -0.07  -0.13  -0.00
    71   1     0.00  -0.00   0.00     0.00  -0.25   0.04    -0.07   0.10  -0.00
    72   1    -0.00  -0.00   0.00    -0.32  -0.06   0.04    -0.35  -0.00   0.04
    73   1    -0.00  -0.00  -0.00    -0.09  -0.35  -0.06    -0.04   0.10   0.02
    74   1     0.00  -0.00  -0.00     0.40  -0.13   0.06    -0.26   0.06  -0.04
    75   1    -0.00  -0.00   0.00    -0.05  -0.25  -0.08    -0.09  -0.10  -0.06
    76   1    -0.01  -0.00  -0.00     0.02  -0.00  -0.00     0.11  -0.05  -0.01
    77   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.08  -0.22   0.12
    78   1    -0.01   0.00   0.00     0.04  -0.00  -0.01     0.15  -0.09   0.01
    79   1     0.00  -0.00   0.00    -0.03   0.06  -0.08     0.06  -0.09   0.14
    80   1     0.00   0.00   0.00     0.04   0.06  -0.03    -0.02  -0.05   0.03
    81   1     0.00   0.00   0.00     0.08   0.03   0.03    -0.01  -0.02   0.01
    82   1     0.00  -0.00   0.00     0.01   0.02  -0.01     0.03  -0.08   0.10
    83   1     0.00   0.00  -0.00    -0.03  -0.06   0.04     0.04   0.10  -0.08
    84   1     0.00   0.00  -0.00    -0.12  -0.08  -0.01     0.13   0.09   0.01
    85   1    -0.00   0.00  -0.00    -0.06   0.01  -0.06     0.07  -0.00   0.06
    86   1     0.00   0.00  -0.00    -0.01   0.00  -0.01     0.03   0.05  -0.03
    87   1     0.00   0.00   0.00     0.03   0.03   0.04     0.14   0.08   0.13
    88   1     0.00   0.00   0.00    -0.02   0.05   0.03     0.00   0.06   0.05
    89   1     0.00  -0.00   0.00    -0.07   0.04  -0.01    -0.00   0.02   0.02
    90   1     0.00   0.00   0.00    -0.01   0.01  -0.00     0.09   0.07   0.10
    91   1    -0.00  -0.00  -0.00     0.01  -0.04  -0.03    -0.01  -0.12  -0.11
    92   1     0.00  -0.00  -0.00     0.07  -0.08  -0.02     0.13  -0.15  -0.04
    93   1     0.00  -0.00  -0.00     0.06  -0.01   0.03     0.11  -0.02   0.04
    94   1    -0.00  -0.00  -0.00     0.02   0.02   0.02     0.01  -0.07  -0.04
    95   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.00  -0.02
    96   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.05   0.06   0.00
    97   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.11   0.02  -0.06
    98   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.06
    99   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.06   0.04
   100   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.01   0.02
   101   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.04   0.03   0.04
   102   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.10   0.05
   103   1    -0.07  -0.31  -0.28     0.00   0.01   0.00    -0.00  -0.02   0.00
   104   1    -0.12  -0.27  -0.27     0.00   0.00   0.00    -0.01  -0.01  -0.00
   105   1     0.30   0.32  -0.16    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
   106   1     0.09   0.37   0.25    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   107   1     0.19   0.29   0.26    -0.00  -0.00  -0.00     0.01   0.00   0.00
   108   1    -0.01  -0.03   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
   109   1    -0.01  -0.04   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
   110   1     0.07   0.01   0.02     0.01  -0.00  -0.01     0.00   0.00  -0.00
   111   1     0.03   0.06   0.01     0.02   0.01   0.01     0.00   0.00   0.00
   112   1     0.03   0.06  -0.02     0.02  -0.01  -0.01     0.00  -0.00  -0.00
   113  17     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
                    250                    251                    252
                      A                      A                      A
 Frequencies --   1470.5612              1485.6645              1488.9591
 Red. masses --      4.2860                 2.7645                 2.9364
 Frc consts  --      5.4610                 3.5951                 3.8355
 IR Inten    --      5.2590               194.3405               578.8050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.09   0.01     0.01  -0.03   0.00     0.01  -0.04   0.00
     2   6     0.05  -0.01  -0.00     0.01  -0.01  -0.00     0.01   0.00  -0.00
     3   6    -0.03   0.10   0.00     0.01   0.02  -0.00    -0.02   0.02   0.00
     4   6     0.04  -0.06   0.01    -0.02   0.00   0.00     0.00  -0.00   0.00
     5   6     0.05  -0.04   0.00     0.01  -0.02   0.00     0.00  -0.00   0.00
     6   6    -0.04   0.06  -0.00     0.01   0.01  -0.00     0.00   0.01  -0.00
     7   6    -0.07  -0.07  -0.02    -0.01   0.01  -0.00    -0.01  -0.02  -0.01
     8   6     0.03   0.02   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    10   6    -0.08   0.05  -0.00     0.01   0.00  -0.00     0.00   0.01  -0.00
    11   6     0.04  -0.04   0.01    -0.01  -0.01  -0.00     0.01  -0.00   0.00
    12   6     0.02   0.11   0.02    -0.01  -0.01  -0.00     0.01   0.03   0.01
    13   6    -0.02  -0.02  -0.01    -0.00   0.01  -0.00     0.00  -0.01  -0.00
    14   6    -0.01  -0.02  -0.01    -0.01  -0.01  -0.01     0.00   0.01   0.00
    15   7     0.03  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.09   0.06  -0.01     0.01   0.00  -0.00    -0.01  -0.03   0.01
    17   6     0.26   0.02  -0.07    -0.02  -0.00   0.00    -0.05   0.02   0.00
    18   7    -0.05   0.01   0.01     0.00  -0.00   0.00     0.01  -0.01   0.00
    19   6    -0.08  -0.06   0.04     0.00   0.00  -0.00     0.03   0.00  -0.01
    20   6     0.13   0.02  -0.04    -0.01  -0.00   0.00    -0.01   0.01  -0.00
    21   6    -0.15   0.12  -0.01     0.01  -0.01   0.00     0.04  -0.01  -0.01
    22   6    -0.09  -0.10   0.07    -0.00   0.01  -0.00     0.03   0.01  -0.01
    23   7     0.00   0.02   0.01    -0.07   0.06   0.00    -0.04   0.03   0.00
    24   7    -0.02  -0.03  -0.00     0.06   0.03   0.02    -0.05  -0.03  -0.02
    25   7     0.04  -0.03  -0.02     0.00   0.00  -0.00    -0.10  -0.04   0.04
    26   6    -0.01  -0.01   0.00    -0.07  -0.06   0.01     0.05   0.04  -0.00
    27   6     0.03   0.01   0.01     0.05   0.02   0.02    -0.03  -0.01  -0.01
    28   6     0.01   0.02  -0.01     0.05   0.03   0.01    -0.03  -0.01  -0.02
    29   6    -0.03  -0.01  -0.01    -0.08  -0.00  -0.06     0.04  -0.00   0.04
    30   6     0.00   0.00   0.00     0.06  -0.09  -0.04     0.03  -0.05  -0.02
    31   6     0.01  -0.02  -0.01    -0.05   0.04  -0.00    -0.02   0.01  -0.00
    32   6    -0.01  -0.02  -0.01    -0.06   0.05   0.00    -0.03   0.01  -0.01
    33   6    -0.02   0.01  -0.00     0.11  -0.03   0.04     0.05  -0.01   0.02
    34   6     0.04   0.02  -0.01    -0.01  -0.00   0.00     0.09   0.10   0.00
    35   6    -0.02   0.03   0.03     0.00  -0.00  -0.00    -0.06  -0.03   0.02
    36   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.06  -0.03   0.02
    37   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.11  -0.01  -0.08
    38   6     0.01  -0.03   0.04    -0.01  -0.05   0.05     0.01   0.03  -0.02
    39   6    -0.00   0.01  -0.01     0.00   0.05  -0.05    -0.01  -0.04   0.03
    40   6    -0.01   0.00  -0.02     0.03   0.01   0.01    -0.03  -0.00  -0.02
    41   6     0.02  -0.01   0.03     0.02  -0.04   0.05    -0.00   0.02  -0.02
    42   6    -0.00   0.02  -0.02     0.01   0.04  -0.04    -0.01  -0.03   0.03
    43   6     0.02   0.01   0.00     0.03   0.02   0.00    -0.02  -0.01  -0.01
    44   6     0.01  -0.02   0.02     0.01  -0.04   0.05    -0.00   0.03  -0.03
    45   6    -0.01   0.00  -0.01    -0.02   0.04  -0.05     0.01  -0.03   0.04
    46   6     0.02   0.01   0.02    -0.02  -0.06  -0.06     0.00  -0.02  -0.02
    47   6    -0.00  -0.00  -0.00     0.03   0.06   0.06     0.01   0.03   0.03
    48   6    -0.02   0.00  -0.01    -0.04   0.02  -0.00    -0.03   0.01  -0.01
    49   6     0.02  -0.00   0.01    -0.05  -0.04  -0.06    -0.01  -0.02  -0.02
    50   6    -0.01  -0.00  -0.01     0.02   0.05   0.05     0.01   0.03   0.03
    51   6     0.02  -0.02  -0.01    -0.03   0.03   0.01    -0.01   0.01  -0.00
    52   6     0.01   0.01   0.01    -0.05  -0.04  -0.06    -0.02  -0.02  -0.02
    53   6    -0.01   0.01   0.00     0.05   0.04   0.06     0.02   0.02   0.03
    54   6     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.09   0.05
    55   6    -0.00  -0.03  -0.02     0.00   0.01   0.00     0.00  -0.08  -0.05
    56   6    -0.04  -0.01   0.02     0.00  -0.00  -0.00    -0.03  -0.01   0.02
    57   6     0.01   0.03   0.01    -0.00  -0.00  -0.00    -0.03   0.06   0.06
    58   6    -0.03  -0.05  -0.01     0.00   0.01   0.00     0.00  -0.06  -0.04
    59   6     0.03   0.04   0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.01
    60   6     0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.03   0.07   0.06
    61   6    -0.01  -0.06  -0.03     0.00   0.01   0.01     0.03  -0.05  -0.06
    62   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    64   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    65   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    69   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    70   1    -0.03   0.20   0.00    -0.01   0.05  -0.00     0.01   0.01   0.00
    71   1    -0.01   0.10  -0.02    -0.03   0.07  -0.01    -0.00   0.00  -0.00
    72   1     0.17   0.04  -0.02    -0.02   0.01  -0.00     0.03   0.00  -0.00
    73   1     0.04  -0.06  -0.01     0.02   0.03   0.01     0.00  -0.03  -0.01
    74   1     0.18  -0.03   0.03     0.02   0.00   0.01     0.02  -0.01   0.00
    75   1     0.07   0.09   0.05     0.04   0.06   0.03    -0.02  -0.02  -0.01
    76   1     0.23  -0.10  -0.02    -0.00   0.00  -0.00    -0.14   0.01   0.03
    77   1    -0.11  -0.35   0.19     0.01   0.02  -0.01    -0.02  -0.00   0.00
    78   1     0.25  -0.14   0.01    -0.00   0.01  -0.00    -0.09   0.02   0.01
    79   1    -0.05   0.07  -0.11    -0.09   0.08  -0.15     0.05  -0.02   0.06
    80   1     0.01   0.03  -0.02    -0.09  -0.07  -0.00     0.09   0.08  -0.02
    81   1    -0.00   0.01  -0.01    -0.19  -0.05  -0.10     0.14   0.04   0.07
    82   1    -0.02   0.06  -0.09    -0.09   0.12  -0.21     0.05  -0.06   0.11
    83   1    -0.03  -0.08   0.06    -0.06  -0.18   0.15     0.04   0.13  -0.11
    84   1    -0.10  -0.07  -0.01    -0.17  -0.12  -0.02     0.10   0.07   0.01
    85   1    -0.06   0.00  -0.05    -0.10  -0.01  -0.07     0.05   0.02   0.02
    86   1    -0.03  -0.04   0.02    -0.06  -0.13   0.09     0.04   0.10  -0.07
    87   1    -0.06  -0.04  -0.06     0.18   0.05   0.14     0.05   0.00   0.03
    88   1     0.01  -0.05  -0.03     0.09  -0.12  -0.04     0.05  -0.09  -0.04
    89   1     0.03  -0.02  -0.00     0.26  -0.13   0.04     0.13  -0.07   0.01
    90   1    -0.03  -0.03  -0.04     0.23   0.10   0.22     0.08   0.03   0.07
    91   1    -0.00   0.04   0.03    -0.05  -0.22  -0.21    -0.03  -0.11  -0.11
    92   1    -0.07   0.07   0.02     0.17  -0.19  -0.05     0.07  -0.08  -0.02
    93   1    -0.07   0.01  -0.03     0.13  -0.05   0.03     0.03  -0.02  -0.00
    94   1    -0.02   0.01  -0.00    -0.01  -0.17  -0.14    -0.01  -0.09  -0.08
    95   1     0.04   0.00  -0.02    -0.01   0.00   0.00     0.12  -0.15  -0.18
    96   1     0.09   0.11   0.01    -0.01  -0.02  -0.00     0.11   0.08  -0.02
    97   1     0.18   0.04  -0.10    -0.02  -0.01   0.01     0.23   0.04  -0.13
    98   1     0.06  -0.06  -0.09    -0.01   0.01   0.01     0.12  -0.22  -0.24
    99   1    -0.01   0.10   0.07    -0.00  -0.02  -0.01     0.07   0.27   0.13
   100   1    -0.05  -0.01   0.03    -0.00  -0.01  -0.00     0.26   0.17  -0.07
   101   1    -0.06   0.05   0.07     0.00  -0.01  -0.01     0.17  -0.01  -0.12
   102   1     0.02   0.16   0.09    -0.00  -0.02  -0.01     0.08   0.18   0.06
   103   1    -0.00  -0.03  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   104   1    -0.02  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00  -0.00
   105   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   106   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
   107   1     0.01   0.01   0.01    -0.00   0.00   0.00     0.01   0.00  -0.00
   108   1     0.01   0.01   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
   109   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
   110   1    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
   111   1     0.00  -0.01   0.01    -0.01  -0.00  -0.01     0.00   0.00   0.00
   112   1     0.00   0.00  -0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
   113  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
                    253                    254                    255
                      A                      A                      A
 Frequencies --   1490.1990              1497.3594              1497.5904
 Red. masses --      2.9291                 2.3195                 2.3460
 Frc consts  --      3.8325                 3.0641                 3.1000
 IR Inten    --     88.3072                33.3423                27.1987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     2   6    -0.02   0.01   0.00    -0.01   0.01  -0.00    -0.00  -0.01   0.00
     3   6     0.01  -0.05   0.00     0.00  -0.02   0.00     0.01   0.00  -0.00
     4   6     0.01   0.01  -0.00     0.01   0.02  -0.00    -0.00   0.00   0.00
     5   6    -0.02   0.03  -0.00    -0.01  -0.00   0.00     0.00  -0.01   0.00
     6   6     0.01  -0.02   0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     7   6     0.02   0.05   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.01   0.02   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    11   6    -0.02  -0.00  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
    12   6    -0.02  -0.05  -0.01    -0.00   0.01  -0.01    -0.00  -0.00   0.00
    13   6     0.01   0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.01     0.01  -0.00   0.00     0.00   0.00   0.00
    15   7    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.01  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.00  -0.00    -0.02   0.02  -0.00
    17   6    -0.03   0.02  -0.00    -0.00  -0.00   0.00     0.04  -0.01  -0.01
    18   7     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    19   6     0.03   0.00  -0.01    -0.00   0.00   0.00    -0.01  -0.01   0.01
    20   6    -0.01   0.01  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.01
    21   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.02   0.00
    22   6     0.03   0.00  -0.01    -0.00   0.00  -0.00    -0.02  -0.01   0.01
    23   7     0.05  -0.04  -0.00    -0.00  -0.01  -0.01     0.01  -0.01  -0.00
    24   7     0.08   0.04   0.03     0.00  -0.01   0.01     0.00   0.00  -0.00
    25   7    -0.06  -0.02   0.02    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    26   6    -0.08  -0.07   0.01    -0.06  -0.02  -0.02     0.00  -0.00   0.00
    27   6     0.05   0.01   0.02     0.03  -0.02   0.04    -0.00   0.00  -0.00
    28   6     0.05   0.01   0.03    -0.01  -0.04   0.03     0.00   0.00  -0.00
    29   6    -0.07   0.01  -0.07     0.05   0.03   0.01    -0.00  -0.00  -0.00
    30   6    -0.05   0.06   0.02     0.06  -0.04   0.01     0.00   0.00   0.00
    31   6     0.04  -0.01   0.01    -0.05  -0.02  -0.04    -0.00  -0.00  -0.00
    32   6     0.04  -0.01   0.01    -0.00  -0.05  -0.04     0.00  -0.00  -0.00
    33   6    -0.06   0.00  -0.03    -0.05   0.05   0.01    -0.01   0.00  -0.00
    34   6     0.05   0.06   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.04
    35   6    -0.04  -0.02   0.01    -0.00   0.00   0.00     0.04  -0.04  -0.06
    36   6    -0.04  -0.02   0.01     0.00   0.00   0.00    -0.02  -0.07  -0.03
    37   6     0.07  -0.01  -0.05    -0.00  -0.00  -0.00     0.07   0.04  -0.02
    38   6    -0.02  -0.05   0.03    -0.04   0.03  -0.06     0.00  -0.00   0.00
    39   6     0.01   0.06  -0.06     0.04   0.03   0.00    -0.00  -0.00  -0.00
    40   6     0.05   0.00   0.03     0.02  -0.03   0.04    -0.00   0.00  -0.00
    41   6    -0.00  -0.03   0.04    -0.04   0.03  -0.06     0.00  -0.00   0.00
    42   6     0.02   0.05  -0.05     0.04   0.07  -0.04    -0.00  -0.00   0.00
    43   6     0.02   0.01   0.01    -0.00  -0.04   0.04     0.00   0.00  -0.00
    44   6     0.01  -0.04   0.05    -0.04  -0.01  -0.02     0.00  -0.00   0.00
    45   6    -0.01   0.05  -0.06     0.03   0.07  -0.05    -0.00  -0.00   0.00
    46   6    -0.01   0.03   0.02     0.07   0.02   0.06     0.01   0.00   0.01
    47   6    -0.01  -0.05  -0.04    -0.03   0.04   0.01    -0.00   0.00  -0.00
    48   6     0.04  -0.01   0.02    -0.03  -0.03  -0.04    -0.00  -0.00  -0.00
    49   6     0.01   0.02   0.02     0.08   0.01   0.05     0.01   0.00   0.01
    50   6    -0.01  -0.04  -0.04    -0.00   0.08   0.06    -0.00   0.01   0.00
    51   6     0.01  -0.01   0.00    -0.02  -0.04  -0.04    -0.00  -0.01  -0.00
    52   6     0.02   0.03   0.03     0.05  -0.02   0.01     0.01  -0.00   0.00
    53   6    -0.03  -0.04  -0.05     0.01   0.07   0.06    -0.00   0.01   0.00
    54   6     0.00   0.05   0.03     0.00  -0.00  -0.00    -0.06   0.07   0.08
    55   6     0.00  -0.05  -0.03    -0.00  -0.00  -0.00     0.06   0.04  -0.01
    56   6    -0.02  -0.01   0.01    -0.00   0.00   0.00     0.02  -0.06  -0.05
    57   6    -0.02   0.04   0.04     0.00  -0.00  -0.00    -0.07   0.06   0.09
    58   6     0.00  -0.04  -0.03    -0.00  -0.00  -0.00     0.05   0.11   0.04
    59   6    -0.03  -0.02   0.00    -0.00   0.00   0.00    -0.00  -0.06  -0.04
    60   6    -0.02   0.05   0.04     0.00   0.00  -0.00    -0.06  -0.02   0.03
    61   6     0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.03   0.11   0.05
    62   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    63  15     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    65   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    69   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    70   1     0.01  -0.08  -0.00     0.01  -0.04   0.01    -0.01   0.02   0.00
    71   1     0.02  -0.07   0.01    -0.01  -0.01   0.00    -0.01   0.02  -0.00
    72   1    -0.03  -0.02   0.00    -0.05  -0.00   0.01    -0.01   0.01   0.00
    73   1     0.02   0.07   0.02    -0.02  -0.04  -0.02    -0.00  -0.00  -0.00
    74   1    -0.03   0.02   0.00     0.04  -0.01   0.00     0.00  -0.00   0.00
    75   1     0.04   0.06   0.03     0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    76   1    -0.12   0.01   0.03     0.01  -0.00  -0.00     0.02  -0.02   0.00
    77   1    -0.03  -0.01   0.01     0.00   0.00  -0.00    -0.03  -0.06   0.04
    78   1    -0.07   0.01   0.01     0.00   0.00  -0.00     0.06  -0.02   0.00
    79   1    -0.07   0.03  -0.09     0.06  -0.15   0.20    -0.00   0.01  -0.01
    80   1    -0.15  -0.14   0.03    -0.12  -0.18   0.10     0.00   0.01  -0.00
    81   1    -0.23  -0.07  -0.11    -0.02  -0.04   0.03    -0.00   0.00  -0.00
    82   1    -0.08   0.09  -0.17     0.05  -0.14   0.19    -0.00   0.01  -0.01
    83   1    -0.06  -0.21   0.18    -0.03  -0.19   0.18     0.00   0.01  -0.01
    84   1    -0.16  -0.11  -0.01     0.00  -0.04   0.04    -0.00  -0.00  -0.00
    85   1    -0.08  -0.03  -0.03     0.13  -0.07   0.17    -0.01   0.00  -0.01
    86   1    -0.07  -0.17   0.12    -0.03  -0.20   0.18     0.00   0.01  -0.01
    87   1    -0.06   0.01  -0.03    -0.18  -0.13  -0.20    -0.02  -0.01  -0.02
    88   1    -0.07   0.15   0.07     0.03  -0.21  -0.15    -0.00  -0.01  -0.01
    89   1    -0.18   0.10  -0.01    -0.02  -0.04  -0.04    -0.01   0.00  -0.00
    90   1    -0.10  -0.03  -0.09    -0.16  -0.12  -0.19    -0.02  -0.01  -0.02
    91   1     0.04   0.16   0.15    -0.08  -0.19  -0.20    -0.01  -0.01  -0.01
    92   1    -0.08   0.10   0.03    -0.03  -0.03  -0.05    -0.01   0.01  -0.00
    93   1    -0.03   0.03   0.01    -0.21  -0.02  -0.14    -0.03   0.00  -0.02
    94   1     0.02   0.14   0.12    -0.08  -0.20  -0.20    -0.01  -0.01  -0.02
    95   1     0.08  -0.09  -0.11    -0.00   0.01   0.01     0.11  -0.28  -0.25
    96   1     0.07   0.05  -0.01     0.01   0.01   0.00    -0.15  -0.30  -0.09
    97   1     0.15   0.03  -0.08     0.00   0.00   0.00    -0.01  -0.07  -0.04
    98   1     0.08  -0.14  -0.15    -0.00   0.01   0.01     0.09  -0.26  -0.24
    99   1     0.04   0.17   0.09     0.00   0.01   0.01    -0.03  -0.34  -0.20
   100   1     0.16   0.10  -0.04     0.00   0.00   0.00     0.00  -0.07  -0.05
   101   1     0.11  -0.00  -0.08    -0.00   0.00   0.01     0.19  -0.14  -0.22
   102   1     0.05   0.12   0.04     0.00   0.01   0.01    -0.04  -0.35  -0.20
   103   1    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01   0.00
   104   1     0.02   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.01   0.00
   105   1     0.02  -0.00   0.00    -0.01   0.01  -0.00    -0.06   0.03  -0.01
   106   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
   107   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.02   0.03   0.03
   108   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
   109   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
   110   1     0.00  -0.00  -0.00     0.01  -0.02  -0.05    -0.00   0.00   0.01
   111   1    -0.01  -0.00  -0.02     0.01   0.03  -0.00    -0.00  -0.01   0.00
   112   1    -0.02   0.00   0.01     0.00  -0.04   0.00     0.00   0.01  -0.00
   113  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    256                    257                    258
                      A                      A                      A
 Frequencies --   1498.3432              1498.7260              1498.8588
 Red. masses --      2.3940                 1.0424                 1.0433
 Frc consts  --      3.1666                 1.3795                 1.3810
 IR Inten    --     72.1215                 4.4622                 5.1960
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.02  -0.03  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.02  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02   0.03   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   7     0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   7     0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   6     0.05   0.01   0.03    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.03   0.05  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    29   6    -0.07  -0.03  -0.03     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   6     0.05  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.04  -0.02  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    32   6     0.01  -0.04  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6    -0.06   0.04  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    34   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    38   6     0.04  -0.05   0.08    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.04  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    40   6    -0.00   0.03  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    41   6     0.05  -0.04   0.08    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   6    -0.04  -0.07   0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   6     0.01   0.05  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    44   6     0.05   0.00   0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6    -0.03  -0.07   0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6     0.06   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    47   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    48   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    49   6     0.07   0.02   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    50   6    -0.00   0.06   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    52   6     0.05  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6    -0.00   0.06   0.05     0.00   0.00   0.00    -0.00   0.00   0.00
    54   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    55   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    56   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    57   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    58   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    61   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    64   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    65   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    66   6    -0.00  -0.00  -0.00    -0.02   0.00  -0.01     0.02  -0.00   0.01
    67   6    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.02  -0.02   0.01
    68   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    69   6    -0.00   0.00   0.00     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    70   1    -0.01  -0.04   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    71   1    -0.02   0.02  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    72   1    -0.08   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   1    -0.01   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    74   1    -0.08   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
    75   1    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    76   1    -0.02   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    77   1    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   1    -0.02   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    79   1    -0.08   0.17  -0.25     0.00  -0.00   0.00    -0.00   0.00  -0.00
    80   1     0.09   0.17  -0.10    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81   1    -0.04   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    82   1    -0.08   0.17  -0.26     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   1     0.02   0.18  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    84   1    -0.04   0.02  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
    85   1    -0.17   0.07  -0.21     0.00  -0.00   0.00    -0.00   0.00  -0.00
    86   1     0.03   0.20  -0.19    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   1    -0.17  -0.11  -0.18    -0.01  -0.01  -0.01    -0.01  -0.00  -0.01
    88   1     0.01  -0.15  -0.11     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    89   1    -0.06  -0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.17  -0.11  -0.19    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    91   1    -0.07  -0.15  -0.16    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    92   1    -0.05  -0.01  -0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    93   1    -0.20  -0.02  -0.13    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    94   1    -0.07  -0.17  -0.17    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    95   1    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    96   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.01   0.00
    97   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    98   1    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    99   1     0.00   0.03   0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
   100   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   101   1    -0.01   0.01   0.01     0.00  -0.00  -0.01    -0.01   0.01   0.01
   102   1     0.00   0.03   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
   103   1    -0.00   0.00  -0.00    -0.01   0.03   0.00     0.01  -0.01  -0.01
   104   1     0.00   0.00  -0.00     0.06   0.04  -0.01    -0.05  -0.03   0.01
   105   1     0.01  -0.01   0.00     0.42  -0.22   0.11    -0.41   0.21  -0.10
   106   1     0.00   0.00   0.01     0.08   0.10   0.37    -0.08  -0.10  -0.36
   107   1    -0.00  -0.01  -0.01    -0.13  -0.22  -0.21     0.12   0.22   0.21
   108   1    -0.00  -0.00  -0.00     0.04   0.01   0.02     0.04   0.01   0.02
   109   1     0.00   0.00   0.00    -0.01   0.01  -0.01    -0.01   0.00  -0.01
   110   1     0.01  -0.01  -0.03    -0.11   0.15   0.45    -0.12   0.15   0.46
   111   1     0.00   0.02  -0.01    -0.09  -0.32   0.08    -0.09  -0.33   0.08
   112   1    -0.00  -0.02   0.00    -0.00   0.36  -0.05    -0.01   0.37  -0.04
   113  17     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    259                    260                    261
                      A                      A                      A
 Frequencies --   1511.5846              1516.6112              1519.0804
 Red. masses --      1.0516                 1.0563                 2.9478
 Frc consts  --      1.4157                 1.4314                 4.0079
 IR Inten    --      1.4515                 3.2028                24.8549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.03   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.04  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.03  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.03  -0.01   0.01
     9   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.03  -0.01
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.02   0.01
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.03  -0.01
    15   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01   0.01
    17   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.01  -0.01
    18   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.01   0.00
    23   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.06   0.05
    24   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    25   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00   0.01
    28   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.01
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.10  -0.10
    31   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.08   0.10   0.03
    32   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.11  -0.06   0.01
    33   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.08  -0.05  -0.08
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.02  -0.01
    35   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01   0.00
    36   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.01
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    39   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    40   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    41   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00   0.00
    42   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    43   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    46   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.07   0.04
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.07
    48   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.10  -0.04   0.03
    49   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.07   0.05
    50   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.07   0.00   0.05
    51   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.07   0.11   0.04
    52   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.07  -0.06  -0.09
    53   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.08  -0.00   0.04
    54   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    55   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    56   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    57   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    58   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    59   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    60   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.01
    61   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    62   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    63  15     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    64   8     0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    65   8    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    66   6     0.02   0.04   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    67   6    -0.03  -0.01   0.04    -0.00  -0.00   0.00    -0.00   0.00   0.00
    68   6    -0.00  -0.00  -0.00     0.04   0.01   0.00     0.00   0.00   0.00
    69   6     0.00  -0.00   0.00    -0.03   0.02  -0.02    -0.00   0.00  -0.00
    70   1    -0.00   0.00  -0.00    -0.00   0.01   0.00     0.02  -0.02  -0.01
    71   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.05  -0.08   0.01
    72   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.09  -0.02  -0.01
    73   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.06   0.08   0.03
    74   1     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.02   0.02   0.01
    75   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.06   0.11   0.05
    76   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.04   0.01   0.01
    77   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    78   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.00   0.01
    79   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    80   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03   0.04  -0.01
    81   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.05   0.02   0.02
    82   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.01
    83   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    84   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    85   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    86   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.01
    87   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.15   0.00  -0.08
    88   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.13   0.23   0.11
    89   1    -0.00   0.00   0.00     0.01  -0.00   0.00    -0.35   0.20  -0.04
    90   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.17  -0.01  -0.10
    91   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.05  -0.17  -0.12
    92   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.34  -0.33  -0.06
    93   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.33  -0.08   0.13
    94   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.06  -0.14  -0.08
    95   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.02
    96   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    97   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    98   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.02
    99   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.00
   100   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.03   0.02
   101   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.04   0.01   0.03
   102   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.00
   103   1    -0.01  -0.26   0.20    -0.00  -0.01  -0.01    -0.00   0.00  -0.00
   104   1    -0.29  -0.06   0.07    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
   105   1    -0.02  -0.30   0.13    -0.00  -0.03   0.01    -0.00  -0.01   0.00
   106   1    -0.03   0.40  -0.35    -0.00   0.04  -0.04    -0.00   0.01  -0.01
   107   1     0.49  -0.11  -0.39     0.05  -0.01  -0.03     0.01  -0.00  -0.01
   108   1     0.02   0.00   0.03    -0.22  -0.03  -0.31    -0.03  -0.00  -0.04
   109   1     0.03  -0.01  -0.01    -0.36   0.13   0.11    -0.04   0.02   0.01
   110   1     0.02   0.00   0.00    -0.26  -0.03   0.01    -0.01  -0.00  -0.01
   111   1    -0.02   0.01  -0.03     0.27  -0.13   0.50     0.02  -0.00   0.03
   112   1    -0.03   0.02   0.01     0.46  -0.22  -0.14     0.02  -0.02  -0.01
   113  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    262                    263                    264
                      A                      A                      A
 Frequencies --   1519.4728              1520.2600              1525.1605
 Red. masses --      2.9590                 3.0147                 2.6664
 Frc consts  --      4.0252                 4.1052                 3.6543
 IR Inten    --     29.5072                30.0473                22.2189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.00    -0.01  -0.00  -0.00    -0.03  -0.00   0.00
     2   6    -0.00   0.02  -0.00     0.00  -0.01   0.00     0.02  -0.04   0.00
     3   6    -0.02  -0.01   0.00     0.01   0.01  -0.00     0.03   0.07  -0.01
     4   6     0.03  -0.00  -0.00    -0.01  -0.00   0.00    -0.07  -0.00   0.01
     5   6    -0.01   0.02  -0.00     0.01  -0.01   0.00     0.05  -0.06   0.00
     6   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.02   0.04  -0.00
     7   6    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00     0.04  -0.08   0.00
     8   6     0.01   0.02   0.01     0.00   0.01   0.00    -0.06   0.02  -0.01
     9   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    10   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.03  -0.00  -0.00
    11   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.02   0.05   0.01
    12   6     0.01   0.03  -0.00     0.00   0.01   0.00    -0.03  -0.02  -0.01
    13   6    -0.02   0.00  -0.00    -0.01  -0.00  -0.00    -0.03  -0.03  -0.01
    14   6    -0.00  -0.03  -0.01     0.00  -0.00  -0.00     0.06   0.05   0.03
    15   7     0.00   0.00  -0.00     0.01  -0.01   0.00     0.00  -0.01   0.00
    16   6     0.00  -0.00  -0.00    -0.02   0.02  -0.00     0.05   0.06  -0.04
    17   6     0.00  -0.00   0.00     0.03  -0.01  -0.00    -0.02  -0.08   0.04
    18   7    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00   0.01  -0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.02   0.01    -0.10   0.00   0.02
    20   6     0.00  -0.00   0.00     0.02   0.01  -0.01     0.01  -0.04   0.01
    21   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.09   0.01  -0.03
    22   6     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.07   0.04  -0.00
    23   7    -0.01   0.01   0.00     0.01   0.01   0.01     0.02   0.01   0.01
    24   7    -0.00  -0.06   0.06    -0.00  -0.01   0.01     0.01  -0.00   0.01
    25   7    -0.00   0.01   0.01     0.01  -0.07  -0.05    -0.03  -0.01   0.01
    26   6     0.02   0.10  -0.09     0.00   0.02  -0.01     0.01   0.00   0.01
    27   6    -0.11  -0.08  -0.01    -0.02  -0.01   0.00    -0.01   0.02  -0.02
    28   6     0.11   0.03   0.06     0.02   0.00   0.01     0.01  -0.02   0.03
    29   6    -0.03   0.07  -0.10    -0.00   0.01  -0.01     0.01   0.02  -0.02
    30   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.01  -0.01
    31   6     0.00   0.00   0.01    -0.01   0.01   0.00    -0.03   0.00  -0.01
    32   6    -0.00  -0.00  -0.01     0.02  -0.01   0.00     0.04   0.01   0.02
    33   6     0.00   0.00   0.00    -0.01  -0.01  -0.01    -0.02  -0.03  -0.03
    34   6    -0.00  -0.02  -0.01     0.02   0.12   0.06    -0.02   0.02   0.03
    35   6     0.01   0.01  -0.00    -0.10  -0.07   0.03     0.01  -0.06  -0.04
    36   6    -0.02  -0.00   0.01     0.11   0.01  -0.07    -0.01   0.06   0.05
    37   6     0.01  -0.01  -0.01    -0.04   0.10   0.09    -0.02  -0.04  -0.02
    38   6    -0.05  -0.06   0.03    -0.01  -0.01   0.00    -0.01  -0.01  -0.00
    39   6     0.01   0.08  -0.08     0.00   0.01  -0.01     0.01   0.03  -0.02
    40   6     0.10   0.01   0.07     0.01   0.00   0.01     0.02  -0.01   0.02
    41   6    -0.04  -0.06   0.04    -0.01  -0.01   0.01    -0.02  -0.00  -0.01
    42   6     0.05  -0.02   0.07     0.01  -0.00   0.01    -0.01  -0.01   0.01
    43   6    -0.10  -0.08   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
    44   6    -0.03   0.07  -0.10    -0.00   0.01  -0.01     0.01  -0.01   0.02
    45   6     0.06  -0.02   0.07     0.01  -0.00   0.01    -0.01  -0.01   0.00
    46   6     0.00  -0.00   0.00    -0.00   0.01   0.01    -0.01   0.02   0.01
    47   6     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.01  -0.04  -0.03
    48   6    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.04  -0.00   0.02
    49   6     0.00  -0.00   0.00    -0.00   0.01   0.01    -0.02   0.02   0.00
    50   6     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.01   0.01
    51   6    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    52   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01     0.00  -0.00  -0.00
    53   6     0.00  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.01
    54   6     0.01   0.01   0.00    -0.05  -0.07  -0.02     0.03   0.01  -0.01
    55   6    -0.00  -0.01  -0.01     0.01   0.11   0.06    -0.02  -0.06  -0.03
    56   6    -0.01  -0.00   0.01     0.11  -0.00  -0.07    -0.04   0.02   0.04
    57   6     0.01   0.01   0.00    -0.04  -0.07  -0.02     0.04  -0.00  -0.03
    58   6    -0.01   0.01   0.01     0.05  -0.04  -0.06     0.03   0.03   0.00
    59   6     0.01   0.01  -0.00    -0.09  -0.08   0.01    -0.03  -0.05  -0.01
    60   6     0.00  -0.01  -0.01    -0.03   0.08   0.07    -0.03   0.03   0.04
    61   6    -0.01   0.00   0.01     0.06  -0.03  -0.06     0.02   0.01  -0.01
    62   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    63  15    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    64   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    65   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.02
    67   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    68   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02   0.00  -0.01
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    70   1     0.03  -0.06   0.00    -0.01   0.03  -0.00    -0.07   0.19   0.00
    71   1     0.03  -0.08   0.01    -0.01   0.03  -0.00    -0.05   0.19  -0.02
    72   1     0.03  -0.02  -0.00     0.00   0.01  -0.00     0.00   0.04  -0.00
    73   1     0.01  -0.01  -0.00    -0.00  -0.01  -0.00    -0.12  -0.17  -0.06
    74   1     0.09  -0.00   0.01     0.02  -0.00   0.00    -0.03  -0.03  -0.02
    75   1     0.05   0.05   0.03     0.01   0.00   0.00    -0.11  -0.20  -0.09
    76   1     0.01   0.00  -0.00     0.00  -0.02   0.01     0.38  -0.03  -0.09
    77   1     0.01   0.01  -0.00    -0.03  -0.06   0.04     0.14   0.13  -0.09
    78   1     0.00  -0.00  -0.00     0.06  -0.01   0.00     0.22   0.03  -0.06
    79   1    -0.12   0.03  -0.13    -0.02   0.00  -0.02    -0.01  -0.02   0.01
    80   1    -0.22  -0.21   0.05    -0.03  -0.03   0.01    -0.07  -0.08   0.03
    81   1    -0.38  -0.12  -0.17    -0.05  -0.02  -0.02    -0.08  -0.04  -0.03
    82   1    -0.13   0.05  -0.16    -0.02   0.01  -0.02    -0.01  -0.02   0.01
    83   1     0.12   0.16  -0.08     0.02   0.02  -0.01    -0.00   0.03  -0.03
    84   1     0.40   0.24   0.08     0.06   0.03   0.01    -0.03  -0.01  -0.02
    85   1     0.27  -0.00   0.22     0.04  -0.00   0.03    -0.04   0.01  -0.04
    86   1     0.11   0.13  -0.05     0.02   0.02  -0.01    -0.00   0.03  -0.03
    87   1    -0.00  -0.01  -0.01    -0.02   0.00  -0.01    -0.02   0.03   0.01
    88   1     0.01  -0.02  -0.01    -0.02   0.04   0.02    -0.06   0.13   0.07
    89   1     0.01  -0.01  -0.00    -0.06   0.03  -0.00    -0.12   0.08   0.00
    90   1    -0.00  -0.01  -0.01    -0.02   0.00  -0.01    -0.02   0.03   0.01
    91   1     0.00  -0.00   0.00     0.00  -0.02  -0.02    -0.01  -0.03  -0.03
    92   1     0.01  -0.01  -0.00     0.04  -0.04  -0.01     0.01  -0.01  -0.01
    93   1     0.02  -0.00   0.01     0.04  -0.01   0.01    -0.01  -0.00  -0.01
    94   1     0.00   0.00   0.00     0.01  -0.02  -0.01    -0.01  -0.04  -0.03
    95   1     0.02  -0.01  -0.02    -0.12   0.04   0.11     0.01   0.07   0.04
    96   1     0.03   0.03   0.00    -0.24  -0.26  -0.01     0.13   0.17   0.02
    97   1     0.05   0.01  -0.03    -0.40  -0.11   0.20     0.15   0.06  -0.06
    98   1     0.02  -0.01  -0.02    -0.13   0.07   0.14     0.01   0.07   0.04
    99   1    -0.01  -0.03  -0.01     0.10   0.17   0.05     0.02  -0.05  -0.05
   100   1    -0.05  -0.03   0.02     0.36   0.22  -0.11     0.12   0.05  -0.05
   101   1    -0.04   0.00   0.03     0.25  -0.03  -0.19     0.13  -0.04  -0.11
   102   1    -0.01  -0.02  -0.00     0.10   0.14   0.03     0.02  -0.06  -0.05
   103   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.02  -0.13   0.18
   104   1    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.19   0.01   0.09
   105   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.06  -0.03
   106   1    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.01  -0.07   0.08
   107   1     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.10   0.02   0.07
   108   1    -0.01  -0.00  -0.02     0.00  -0.00   0.00     0.07  -0.01   0.12
   109   1    -0.02   0.01   0.01     0.01  -0.00  -0.00     0.12  -0.06  -0.04
   110   1    -0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.04   0.00   0.01
   111   1     0.01  -0.00   0.01    -0.00   0.00  -0.01     0.03  -0.03   0.07
   112   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.06  -0.03  -0.02
   113  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    265                    266                    267
                      A                      A                      A
 Frequencies --   1528.7473              1530.3534              1530.6577
 Red. masses --      1.2201                 2.5632                 3.1074
 Frc consts  --      1.6801                 3.5369                 4.2895
 IR Inten    --      5.0409                 2.0101                 3.4476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.02   0.01   0.00
     2   6    -0.01   0.02  -0.00     0.02  -0.03   0.00     0.00  -0.03   0.00
     3   6    -0.01  -0.03   0.00     0.02   0.05  -0.00     0.03   0.00  -0.00
     4   6     0.03  -0.00  -0.00    -0.04   0.00   0.00    -0.03   0.02  -0.00
     5   6    -0.02   0.03  -0.00     0.03  -0.05   0.00     0.00  -0.03   0.00
     6   6     0.00  -0.02   0.00     0.00   0.03  -0.00     0.03   0.00  -0.00
     7   6    -0.01   0.03  -0.00     0.01  -0.06  -0.00    -0.03   0.02  -0.00
     8   6     0.02  -0.01   0.01    -0.04   0.01  -0.01     0.03   0.01   0.01
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00     0.01  -0.01   0.00
    11   6    -0.01  -0.02  -0.01     0.02   0.02   0.01    -0.01  -0.03  -0.01
    12   6     0.01  -0.00   0.00    -0.01   0.01  -0.00     0.02   0.01   0.00
    13   6     0.01   0.01   0.00    -0.01  -0.02  -0.01    -0.02   0.01  -0.00
    14   6    -0.02  -0.02  -0.01     0.04   0.04   0.02    -0.01  -0.03  -0.01
    15   7    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.03  -0.03   0.02     0.00  -0.00   0.00
    17   6     0.01  -0.01   0.00    -0.02   0.04  -0.02    -0.01   0.00   0.00
    18   7    -0.01   0.00   0.00     0.02  -0.01   0.00     0.01   0.00  -0.00
    19   6    -0.01   0.00   0.00     0.06  -0.01  -0.01     0.01   0.00  -0.00
    20   6     0.00  -0.00   0.00    -0.01   0.03  -0.01    -0.01  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.01  -0.01   0.00
    22   6    -0.00  -0.00   0.00     0.04  -0.01  -0.01    -0.00   0.00  -0.00
    23   7    -0.00  -0.01  -0.00    -0.01   0.02   0.01    -0.03   0.02   0.00
    24   7     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.03   0.01   0.01
    25   7     0.00  -0.00  -0.00    -0.02  -0.00   0.01     0.00   0.00   0.00
    26   6    -0.01  -0.00  -0.00     0.03   0.00   0.02    -0.06   0.01  -0.05
    27   6     0.00  -0.01   0.01    -0.01   0.03  -0.04     0.00  -0.08   0.08
    28   6    -0.01   0.01  -0.01     0.01  -0.03   0.04    -0.01   0.07  -0.08
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.02    -0.05  -0.06   0.02
    30   6    -0.01   0.01  -0.00     0.04  -0.01   0.01     0.07  -0.01   0.03
    31   6     0.01   0.01   0.01    -0.03  -0.03  -0.04    -0.05  -0.07  -0.08
    32   6    -0.01  -0.01  -0.01     0.04   0.03   0.04     0.05   0.06   0.08
    33   6     0.00   0.01   0.01     0.01  -0.04  -0.03     0.03  -0.06  -0.03
    34   6    -0.00   0.00   0.00     0.05  -0.02  -0.04    -0.01  -0.00   0.00
    35   6    -0.00  -0.00  -0.00    -0.00   0.08   0.05     0.00  -0.01  -0.01
    36   6     0.00   0.00   0.00     0.01  -0.07  -0.05    -0.00   0.01   0.01
    37   6    -0.00  -0.00   0.00     0.04   0.04  -0.00    -0.00  -0.01  -0.00
    38   6     0.01   0.00   0.00    -0.02  -0.01  -0.01     0.04   0.01   0.02
    39   6    -0.01  -0.01   0.01     0.02   0.04  -0.03    -0.03  -0.07   0.05
    40   6    -0.01   0.00  -0.01     0.03  -0.01   0.04    -0.06   0.02  -0.07
    41   6     0.01   0.00   0.01    -0.03  -0.00  -0.02     0.06  -0.00   0.05
    42   6     0.01   0.01  -0.00    -0.02  -0.02   0.01     0.05   0.05  -0.01
    43   6    -0.00  -0.01   0.00     0.02   0.03  -0.01    -0.05  -0.07   0.03
    44   6    -0.00   0.00  -0.01     0.02  -0.01   0.03    -0.04   0.04  -0.07
    45   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03   0.01
    46   6     0.01  -0.01  -0.00    -0.02   0.02   0.00    -0.04   0.02  -0.01
    47   6     0.00   0.02   0.01    -0.00  -0.05  -0.04    -0.00  -0.07  -0.06
    48   6    -0.02   0.00  -0.01     0.05   0.00   0.03     0.08   0.00   0.04
    49   6     0.01  -0.01   0.00    -0.04   0.01  -0.01    -0.07   0.01  -0.03
    50   6     0.00  -0.01  -0.01    -0.01   0.03   0.02    -0.03   0.06   0.03
    51   6    -0.00   0.01   0.01     0.01  -0.03  -0.02     0.02  -0.07  -0.05
    52   6    -0.01  -0.00  -0.00     0.03   0.01   0.02     0.07   0.02   0.05
    53   6     0.00  -0.01  -0.00    -0.01   0.02   0.01    -0.03   0.03   0.01
    54   6     0.00  -0.00  -0.00    -0.03  -0.00   0.02     0.01   0.00  -0.00
    55   6    -0.00  -0.00  -0.00     0.02   0.06   0.02    -0.00  -0.01  -0.00
    56   6    -0.00   0.00   0.00     0.04  -0.03  -0.05    -0.01   0.00   0.01
    57   6     0.00  -0.00  -0.00    -0.05   0.01   0.04     0.01  -0.00  -0.00
    58   6     0.00   0.00  -0.00    -0.04  -0.05   0.00     0.00   0.01   0.00
    59   6    -0.00  -0.00  -0.00     0.04   0.07   0.02    -0.00  -0.01  -0.00
    60   6    -0.00   0.00   0.00     0.04  -0.04  -0.05    -0.00   0.00   0.00
    61   6     0.00   0.00  -0.00    -0.03  -0.02   0.01     0.00   0.00   0.00
    62   8    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    63  15     0.01   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    64   8    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    65   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6     0.04   0.03  -0.06     0.02   0.01  -0.03     0.00   0.00  -0.00
    67   6     0.01  -0.00  -0.02     0.00   0.00  -0.01    -0.00  -0.00   0.00
    68   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    70   1     0.03  -0.08  -0.00    -0.05   0.14   0.00    -0.04   0.08  -0.00
    71   1     0.03  -0.08   0.01    -0.05   0.14  -0.01    -0.05   0.09  -0.01
    72   1     0.01  -0.02   0.00    -0.03   0.04   0.00    -0.10   0.02   0.01
    73   1     0.04   0.07   0.02    -0.06  -0.11  -0.04     0.06   0.08   0.03
    74   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.08   0.01   0.02
    75   1     0.04   0.08   0.03    -0.08  -0.13  -0.06     0.08   0.10   0.05
    76   1     0.02  -0.00  -0.00    -0.22   0.02   0.05    -0.01   0.00   0.00
    77   1     0.01   0.00  -0.00    -0.07  -0.05   0.04     0.00   0.01  -0.01
    78   1     0.02  -0.00  -0.00    -0.13   0.00   0.03    -0.00   0.00  -0.00
    79   1     0.00   0.01  -0.01    -0.01  -0.05   0.04     0.00   0.10  -0.10
    80   1     0.04   0.04  -0.02    -0.11  -0.12   0.04     0.18   0.21  -0.08
    81   1     0.04   0.02   0.01    -0.11  -0.05  -0.03     0.19   0.09   0.05
    82   1     0.00   0.02  -0.01    -0.01  -0.05   0.06     0.00   0.11  -0.12
    83   1     0.00  -0.02   0.02    -0.01   0.05  -0.06     0.02  -0.10   0.13
    84   1     0.02   0.01   0.01    -0.07  -0.03  -0.03     0.19   0.08   0.07
    85   1     0.02  -0.00   0.02    -0.08   0.02  -0.08     0.21  -0.04   0.21
    86   1    -0.00  -0.02   0.02    -0.00   0.05  -0.05     0.02  -0.09   0.11
    87   1    -0.00  -0.02  -0.01     0.02   0.05   0.05     0.05   0.09   0.10
    88   1     0.02  -0.06  -0.03    -0.06   0.16   0.09    -0.09   0.24   0.14
    89   1     0.05  -0.03  -0.00    -0.12   0.09   0.01    -0.17   0.14   0.02
    90   1    -0.00  -0.02  -0.02     0.03   0.06   0.06     0.06   0.09   0.11
    91   1     0.01   0.02   0.02    -0.04  -0.05  -0.06    -0.08  -0.08  -0.11
    92   1     0.02  -0.01   0.00    -0.08   0.05  -0.00    -0.18   0.12  -0.00
    93   1     0.03  -0.00   0.01    -0.12   0.01  -0.06    -0.27   0.03  -0.13
    94   1     0.01   0.02   0.02    -0.04  -0.05  -0.06    -0.08  -0.07  -0.10
    95   1    -0.00   0.00   0.00     0.01  -0.10  -0.07     0.00   0.01   0.01
    96   1     0.00   0.01   0.00    -0.13  -0.17  -0.03     0.02   0.03   0.00
    97   1     0.00   0.00  -0.00    -0.13  -0.07   0.05     0.02   0.01  -0.01
    98   1    -0.00   0.00   0.00     0.01  -0.11  -0.07     0.00   0.01   0.01
    99   1     0.00  -0.00  -0.00    -0.03   0.09   0.08     0.00  -0.01  -0.01
   100   1     0.01   0.00  -0.00    -0.17  -0.07   0.07     0.01   0.00  -0.01
   101   1     0.01  -0.00  -0.01    -0.19   0.06   0.17     0.01  -0.00  -0.01
   102   1     0.00  -0.00  -0.00    -0.03   0.08   0.07     0.00  -0.01  -0.01
   103   1     0.06  -0.33   0.53     0.03  -0.17   0.28     0.00  -0.00   0.01
   104   1    -0.53   0.04   0.28    -0.27   0.03   0.15    -0.01  -0.00   0.00
   105   1     0.06   0.13  -0.06     0.04   0.07  -0.03     0.00  -0.00   0.00
   106   1     0.02  -0.17   0.20     0.01  -0.09   0.11    -0.00   0.00  -0.00
   107   1    -0.23   0.03   0.16    -0.12   0.01   0.08     0.00  -0.00  -0.00
   108   1    -0.01  -0.00  -0.02    -0.02   0.00  -0.04    -0.03   0.01  -0.06
   109   1    -0.02   0.01   0.01    -0.04   0.02   0.01    -0.06   0.04   0.02
   110   1    -0.02  -0.00   0.00     0.02   0.00   0.01     0.02   0.00  -0.00
   111   1     0.01  -0.01   0.03    -0.02   0.01  -0.03    -0.02   0.01  -0.03
   112   1     0.02  -0.01  -0.01    -0.03   0.02   0.01    -0.03   0.01   0.01
   113  17    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
                    268                    269                    270
                      A                      A                      A
 Frequencies --   1533.1522              1535.3290              1538.8203
 Red. masses --      1.1529                 3.1689                 3.0069
 Frc consts  --      1.5966                 4.4011                 4.1951
 IR Inten    --      5.9245                53.9965               298.6391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.05   0.03   0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00   0.00     0.01  -0.04   0.00    -0.01   0.04  -0.00
     3   6    -0.00  -0.00  -0.00     0.04   0.06  -0.01    -0.04  -0.05   0.00
     4   6     0.00  -0.00   0.00    -0.07   0.00   0.00     0.05  -0.01  -0.00
     5   6    -0.00   0.00  -0.00     0.05  -0.07   0.00    -0.03   0.06  -0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.03  -0.00    -0.01  -0.03   0.00
     7   6     0.00   0.00   0.00     0.05  -0.07   0.01    -0.00   0.05   0.00
     8   6    -0.00  -0.00  -0.00    -0.07   0.02  -0.02     0.03  -0.01   0.01
     9   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.02   0.03  -0.01
    10   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.03  -0.00  -0.01
    11   6    -0.00  -0.00  -0.00     0.01   0.05   0.01    -0.02  -0.01  -0.01
    12   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.02     0.02  -0.02   0.00
    13   6    -0.00   0.00   0.00    -0.03  -0.03  -0.01     0.02   0.02   0.01
    14   6     0.00  -0.00   0.00     0.07   0.06   0.03    -0.04  -0.04  -0.02
    15   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    16   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.08   0.08  -0.06
    17   6    -0.00  -0.00   0.00    -0.03  -0.02   0.01     0.00  -0.11   0.05
    18   7    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.04   0.02  -0.00
    19   6    -0.01  -0.00   0.00    -0.02  -0.00   0.01    -0.15   0.01   0.03
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.02
    21   6     0.01   0.00  -0.00     0.04  -0.00  -0.01     0.13   0.04  -0.05
    22   6    -0.00   0.00  -0.00    -0.01   0.02  -0.01    -0.08   0.04   0.00
    23   7     0.00  -0.00  -0.00     0.06  -0.04   0.00    -0.03   0.01  -0.00
    24   7     0.01   0.00   0.00     0.07   0.03   0.02    -0.01   0.00  -0.01
    25   7    -0.01  -0.01   0.01    -0.04  -0.01   0.02    -0.09  -0.04   0.04
    26   6    -0.01  -0.00  -0.01    -0.06  -0.00  -0.04     0.01  -0.00   0.01
    27   6     0.00  -0.01   0.01     0.00  -0.06   0.06     0.00   0.01  -0.01
    28   6    -0.00   0.01  -0.01    -0.00   0.06  -0.06    -0.01  -0.01   0.00
    29   6    -0.01  -0.01   0.00    -0.05  -0.04  -0.00     0.01   0.00   0.01
    30   6    -0.00   0.00  -0.00    -0.06   0.01  -0.02     0.02  -0.00   0.01
    31   6     0.00   0.00   0.00     0.03   0.05   0.06    -0.00  -0.01  -0.01
    32   6    -0.00  -0.00  -0.00    -0.03  -0.05  -0.05     0.01   0.01   0.01
    33   6    -0.00   0.00   0.00    -0.04   0.05   0.01     0.01  -0.01  -0.00
    34   6     0.02  -0.00  -0.01     0.04  -0.00  -0.03     0.06   0.01  -0.03
    35   6    -0.00   0.02   0.01    -0.00   0.05   0.03    -0.01   0.06   0.04
    36   6     0.00  -0.02  -0.01     0.00  -0.05  -0.03     0.01  -0.06  -0.04
    37   6     0.01   0.01  -0.00     0.04   0.03  -0.01     0.05   0.04  -0.01
    38   6     0.01   0.00   0.00     0.03   0.00   0.02    -0.00   0.00  -0.00
    39   6    -0.00  -0.01   0.01    -0.02  -0.05   0.03     0.00  -0.00   0.00
    40   6    -0.01   0.00  -0.01    -0.04   0.02  -0.05     0.00  -0.00   0.00
    41   6     0.01  -0.00   0.01     0.04  -0.00   0.04    -0.00   0.00  -0.00
    42   6     0.01   0.01  -0.00     0.04   0.04  -0.01    -0.01  -0.01   0.00
    43   6    -0.01  -0.01   0.00    -0.04  -0.05   0.03     0.01   0.01  -0.01
    44   6    -0.01   0.00  -0.01    -0.03   0.02  -0.05     0.01  -0.01   0.01
    45   6     0.01   0.00   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    46   6     0.00  -0.00   0.00     0.03  -0.01   0.01    -0.01   0.00  -0.00
    47   6    -0.00   0.00   0.00    -0.00   0.04   0.03     0.00  -0.01  -0.01
    48   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.01   0.00   0.01
    49   6     0.00  -0.00   0.00     0.05  -0.01   0.02    -0.01   0.00  -0.01
    50   6     0.00  -0.00  -0.00     0.03  -0.05  -0.02    -0.01   0.01   0.01
    51   6    -0.00   0.00   0.00    -0.01   0.06   0.04     0.00  -0.02  -0.01
    52   6    -0.00  -0.00  -0.00    -0.05  -0.01  -0.04     0.02   0.00   0.01
    53   6     0.00  -0.00  -0.00     0.02  -0.03  -0.01    -0.01   0.01  -0.00
    54   6    -0.01  -0.00   0.01    -0.02   0.00   0.01    -0.03  -0.00   0.02
    55   6     0.01   0.02   0.01     0.01   0.03   0.01     0.02   0.05   0.02
    56   6     0.01  -0.01  -0.01     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    57   6    -0.01   0.00   0.01    -0.03   0.01   0.03    -0.04   0.01   0.04
    58   6    -0.01  -0.01  -0.00    -0.03  -0.03  -0.00    -0.04  -0.04  -0.00
    59   6     0.01   0.02   0.00     0.02   0.04   0.01     0.03   0.05   0.01
    60   6     0.01  -0.01  -0.01     0.03  -0.02  -0.03     0.03  -0.03  -0.04
    61   6    -0.01  -0.01   0.00    -0.02  -0.02   0.00    -0.03  -0.02   0.01
    62   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    63  15     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00   0.01
    64   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   8    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    67   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.06   0.03  -0.03     0.02  -0.01   0.01     0.02  -0.01   0.01
    69   6    -0.02   0.02  -0.01     0.01  -0.01   0.00     0.00  -0.00   0.00
    70   1     0.00  -0.01  -0.00    -0.08   0.17   0.00     0.07  -0.16  -0.00
    71   1     0.00  -0.00   0.00    -0.06   0.19  -0.02     0.07  -0.16   0.01
    72   1     0.00  -0.00  -0.00    -0.03   0.04  -0.00     0.08  -0.04  -0.00
    73   1    -0.00   0.00   0.00    -0.13  -0.16  -0.06     0.05   0.09   0.03
    74   1    -0.00   0.00  -0.00    -0.04  -0.04  -0.02    -0.00   0.03   0.01
    75   1     0.00   0.01   0.00    -0.12  -0.22  -0.09     0.06   0.11   0.05
    76   1     0.01  -0.00  -0.00     0.06  -0.01  -0.01     0.52  -0.05  -0.12
    77   1     0.01   0.00  -0.00     0.02   0.03  -0.02     0.18   0.15  -0.11
    78   1     0.01   0.00  -0.00     0.03   0.02  -0.02     0.28   0.02  -0.08
    79   1    -0.00   0.01  -0.02    -0.01   0.08  -0.09     0.01  -0.01   0.01
    80   1     0.03   0.03  -0.01     0.12   0.15  -0.06    -0.00  -0.00   0.00
    81   1     0.03   0.01   0.01     0.12   0.06   0.03    -0.00  -0.00   0.00
    82   1    -0.00   0.02  -0.02    -0.01   0.09  -0.11     0.00  -0.01   0.01
    83   1     0.00  -0.02   0.02     0.01  -0.09   0.11    -0.00   0.02  -0.02
    84   1     0.03   0.01   0.01     0.14   0.06   0.06    -0.03  -0.01  -0.01
    85   1     0.03  -0.01   0.03     0.16  -0.03   0.16    -0.04   0.01  -0.04
    86   1     0.00  -0.01   0.02     0.02  -0.07   0.09    -0.01   0.01  -0.01
    87   1    -0.00  -0.00  -0.00    -0.05  -0.06  -0.07     0.01   0.01   0.02
    88   1     0.00  -0.01  -0.01     0.05  -0.15  -0.09    -0.01   0.03   0.02
    89   1     0.01  -0.00  -0.00     0.09  -0.08  -0.01    -0.02   0.02   0.00
    90   1    -0.00  -0.00  -0.00    -0.06  -0.07  -0.10     0.02   0.02   0.02
    91   1     0.00   0.00   0.00     0.07   0.07   0.10    -0.02  -0.02  -0.03
    92   1     0.01  -0.00   0.00     0.13  -0.09   0.00    -0.04   0.03  -0.00
    93   1     0.01  -0.00   0.00     0.20  -0.02   0.10    -0.06   0.01  -0.03
    94   1     0.00   0.00   0.00     0.06   0.05   0.07    -0.02  -0.01  -0.01
    95   1     0.00  -0.03  -0.02     0.01  -0.06  -0.05     0.00  -0.08  -0.05
    96   1    -0.04  -0.05  -0.01    -0.07  -0.10  -0.02    -0.11  -0.16  -0.02
    97   1    -0.04  -0.02   0.01    -0.07  -0.04   0.02    -0.12  -0.06   0.04
    98   1     0.00  -0.03  -0.02     0.01  -0.08  -0.06     0.01  -0.11  -0.08
    99   1    -0.01   0.03   0.02    -0.01   0.08   0.06    -0.01   0.11   0.08
   100   1    -0.04  -0.02   0.02    -0.10  -0.03   0.04    -0.11  -0.04   0.05
   101   1    -0.05   0.02   0.04    -0.11   0.04   0.10    -0.13   0.05   0.12
   102   1    -0.01   0.02   0.02    -0.02   0.06   0.05    -0.02   0.07   0.06
   103   1    -0.00   0.01  -0.02     0.00  -0.01   0.01    -0.02   0.05  -0.11
   104   1     0.02  -0.00  -0.01    -0.01  -0.00   0.00     0.09  -0.02  -0.06
   105   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
   106   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.03  -0.03
   107   1     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.04   0.00  -0.02
   108   1     0.27  -0.10   0.49    -0.09   0.04  -0.17    -0.07   0.04  -0.14
   109   1     0.46  -0.33  -0.15    -0.16   0.12   0.05    -0.12   0.10   0.04
   110   1    -0.19  -0.03  -0.02     0.07   0.02   0.02     0.05   0.01   0.00
   111   1     0.18  -0.08   0.32    -0.07   0.02  -0.12    -0.04   0.02  -0.07
   112   1     0.30  -0.16  -0.09    -0.11   0.07   0.03    -0.07   0.03   0.02
   113  17    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                    271                    272                    273
                      A                      A                      A
 Frequencies --   1548.6916              1597.5415              1606.0922
 Red. masses --      3.3364                 6.8471                 6.2945
 Frc consts  --      4.7147                10.2958                 9.5665
 IR Inten    --    180.6471                34.0253                40.6414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.10  -0.00    -0.01   0.04  -0.00    -0.21  -0.14   0.03
     2   6    -0.01   0.10  -0.01     0.01  -0.04   0.00     0.07   0.08  -0.01
     3   6    -0.11  -0.01   0.00     0.00   0.02  -0.00    -0.16  -0.09   0.02
     4   6     0.12  -0.09   0.01     0.02  -0.01  -0.00     0.13   0.22  -0.04
     5   6    -0.02   0.11  -0.01    -0.02   0.02   0.00    -0.07  -0.14   0.02
     6   6    -0.11  -0.02   0.01     0.03  -0.02  -0.00     0.23   0.05  -0.03
     7   6     0.11  -0.06   0.02    -0.02   0.01  -0.00    -0.08   0.08  -0.02
     8   6    -0.11  -0.02  -0.04     0.01  -0.04  -0.01     0.04  -0.19  -0.01
     9   6     0.03  -0.00   0.01     0.02  -0.01   0.01     0.01   0.04  -0.00
    10   6    -0.03   0.05  -0.01    -0.19  -0.04   0.06     0.08  -0.03  -0.01
    11   6     0.02   0.10   0.02     0.01  -0.03  -0.00     0.06  -0.03   0.01
    12   6    -0.11  -0.07  -0.04    -0.04   0.05  -0.00    -0.18   0.12  -0.03
    13   6     0.06  -0.04   0.01     0.03  -0.03   0.00     0.21  -0.09   0.04
    14   6     0.05   0.10   0.03     0.01   0.05   0.01    -0.04   0.13   0.02
    15   7     0.00  -0.00   0.00    -0.05   0.03  -0.00    -0.00  -0.01   0.00
    16   6    -0.02  -0.01   0.01     0.20  -0.24   0.06    -0.01   0.02  -0.00
    17   6     0.03   0.01  -0.01    -0.05   0.19  -0.08     0.03  -0.02   0.00
    18   7    -0.02  -0.01   0.01     0.16   0.01  -0.04    -0.08   0.00   0.02
    19   6     0.01  -0.00   0.00    -0.16   0.15  -0.03     0.01  -0.00  -0.00
    20   6     0.01   0.01  -0.01    -0.03  -0.25   0.12    -0.01  -0.00   0.00
    21   6    -0.04   0.00   0.01    -0.10   0.29  -0.10     0.02  -0.00  -0.00
    22   6     0.02  -0.02   0.00     0.10  -0.12   0.03    -0.02   0.00   0.00
    23   7    -0.07   0.05   0.00    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    24   7     0.07   0.03   0.02     0.01  -0.00   0.01     0.04  -0.00   0.02
    25   7     0.02   0.00  -0.01    -0.01  -0.04  -0.00    -0.00  -0.00   0.00
    26   6    -0.02  -0.01  -0.01     0.00  -0.00   0.00     0.01  -0.00   0.01
    27   6     0.00  -0.01   0.01    -0.01  -0.00  -0.00    -0.03  -0.00  -0.02
    28   6    -0.00   0.01  -0.02     0.01   0.01  -0.00     0.02   0.01   0.01
    29   6    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.02  -0.02   0.00
    30   6     0.03  -0.01   0.00     0.00  -0.00  -0.00     0.02  -0.00   0.01
    31   6    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00    -0.03   0.02  -0.00
    32   6     0.01   0.01   0.01     0.00   0.01   0.00     0.03  -0.02  -0.00
    33   6     0.02  -0.02  -0.00     0.01  -0.00  -0.00    -0.01   0.03   0.01
    34   6    -0.01   0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    35   6    -0.00  -0.01  -0.00    -0.03  -0.02   0.01     0.00  -0.00  -0.00
    36   6     0.00   0.01   0.00     0.03   0.02  -0.01    -0.00  -0.00   0.00
    37   6    -0.01  -0.00   0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
    38   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.01  -0.00
    39   6    -0.01  -0.02   0.01     0.01   0.01  -0.01     0.03   0.03  -0.01
    40   6    -0.01   0.01  -0.02    -0.01  -0.01   0.00    -0.03  -0.02  -0.00
    41   6     0.02  -0.00   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    42   6     0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    43   6    -0.01  -0.01   0.01     0.00  -0.00   0.00     0.02  -0.00   0.02
    44   6    -0.01   0.01  -0.02    -0.01   0.00  -0.01    -0.03   0.01  -0.03
    45   6     0.01   0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.02
    46   6    -0.01   0.01   0.00    -0.00  -0.00  -0.01    -0.01   0.02   0.01
    47   6     0.00  -0.02  -0.01     0.00   0.01   0.00     0.02  -0.04  -0.03
    48   6     0.02   0.00   0.01    -0.00  -0.00  -0.00    -0.02   0.03   0.01
    49   6    -0.02   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.02  -0.02
    50   6    -0.01   0.02   0.01     0.00   0.00   0.00    -0.02  -0.01  -0.02
    51   6     0.00  -0.02  -0.01    -0.00   0.00  -0.00     0.03  -0.01   0.01
    52   6     0.02   0.00   0.01     0.00  -0.00   0.00    -0.05   0.00  -0.03
    53   6    -0.01   0.01  -0.00    -0.00   0.00   0.00     0.03   0.00   0.02
    54   6     0.00  -0.00  -0.00    -0.02  -0.03  -0.01     0.00   0.00  -0.00
    55   6    -0.00  -0.00  -0.00     0.03   0.05   0.01    -0.00  -0.00  -0.00
    56   6    -0.00   0.00   0.00    -0.02  -0.02  -0.00     0.00   0.00  -0.00
    57   6     0.00  -0.00  -0.00     0.00   0.02   0.02    -0.00  -0.00  -0.00
    58   6     0.01   0.01   0.00    -0.01   0.01   0.02    -0.00  -0.00  -0.00
    59   6    -0.00  -0.01  -0.00     0.03   0.00  -0.02    -0.00   0.00   0.00
    60   6    -0.01   0.00   0.01    -0.04   0.02   0.04     0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00     0.02  -0.00  -0.02    -0.00   0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    63  15     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    67   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    68   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   1     0.16  -0.29   0.00    -0.04   0.08   0.00     0.10   0.03  -0.01
    71   1     0.17  -0.31   0.02    -0.01  -0.04   0.00    -0.20   0.13  -0.01
    72   1     0.35  -0.09  -0.02    -0.08  -0.00   0.01    -0.34   0.14   0.01
    73   1    -0.21  -0.24  -0.09     0.02  -0.01   0.00    -0.01  -0.14  -0.03
    74   1    -0.28  -0.02  -0.07    -0.06  -0.03  -0.02    -0.39  -0.05  -0.10
    75   1    -0.23  -0.31  -0.15    -0.08  -0.08  -0.05    -0.24  -0.14  -0.12
    76   1    -0.04  -0.00   0.01     0.37   0.13  -0.15    -0.01  -0.00   0.00
    77   1    -0.03  -0.05   0.03     0.33   0.24  -0.17     0.00   0.02  -0.01
    78   1    -0.04  -0.02   0.02    -0.09  -0.12   0.08     0.04   0.00  -0.01
    79   1     0.01   0.02  -0.02    -0.01   0.00  -0.01    -0.01  -0.02   0.00
    80   1     0.04   0.05  -0.02    -0.01  -0.02   0.01    -0.03  -0.05   0.02
    81   1     0.04   0.02   0.01     0.00  -0.00   0.01     0.03  -0.00   0.03
    82   1    -0.00   0.03  -0.04     0.01  -0.00   0.01     0.02  -0.00   0.02
    83   1     0.00  -0.04   0.04    -0.00  -0.01   0.01    -0.02  -0.04   0.03
    84   1     0.04   0.01   0.02    -0.00  -0.01   0.00    -0.00  -0.02   0.01
    85   1     0.04  -0.01   0.04     0.01  -0.00   0.02     0.05  -0.01   0.05
    86   1     0.01  -0.02   0.02     0.01   0.00   0.00     0.02   0.02  -0.00
    87   1     0.00   0.02   0.02     0.01   0.00   0.01    -0.02   0.02   0.00
    88   1    -0.02   0.06   0.03     0.00  -0.01  -0.00    -0.01   0.07   0.04
    89   1    -0.04   0.03   0.01     0.00  -0.00  -0.00     0.04  -0.00   0.02
    90   1     0.02   0.03   0.04    -0.00   0.00  -0.00     0.03  -0.00   0.02
    91   1    -0.03  -0.04  -0.05    -0.00  -0.01  -0.01    -0.00   0.05   0.04
    92   1    -0.04   0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.03   0.02
    93   1    -0.06   0.01  -0.03    -0.01  -0.00  -0.00     0.08  -0.00   0.04
    94   1    -0.02  -0.01  -0.02    -0.00  -0.01  -0.01     0.02  -0.02  -0.01
    95   1    -0.00   0.01   0.01    -0.03  -0.01   0.02     0.00   0.00   0.00
    96   1     0.00   0.01   0.00    -0.05  -0.08  -0.02     0.00   0.00   0.00
    97   1     0.01   0.00  -0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
    98   1    -0.00   0.01   0.01     0.03  -0.03  -0.04    -0.00  -0.00   0.00
    99   1     0.00  -0.02  -0.01    -0.02  -0.04  -0.01     0.00   0.00   0.00
   100   1     0.02   0.00  -0.01    -0.02  -0.03  -0.01    -0.00   0.00   0.00
   101   1     0.02  -0.01  -0.02     0.06  -0.03  -0.06    -0.00   0.00   0.00
   102   1     0.00  -0.01  -0.01     0.02   0.01  -0.01    -0.00  -0.00  -0.00
   103   1     0.00  -0.00   0.01     0.00  -0.01   0.01    -0.00   0.00  -0.00
   104   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
   105   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   106   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
   107   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00   0.00   0.00
   108   1    -0.00   0.00  -0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
   109   1    -0.01   0.01   0.00    -0.01   0.01   0.00    -0.00   0.01   0.00
   110   1     0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   111   1    -0.01  -0.00  -0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
   112   1    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   113  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
                    274                    275                    276
                      A                      A                      A
 Frequencies --   1617.5034              1629.1102              1629.1593
 Red. masses --      7.3428                 5.9116                 5.9170
 Frc consts  --     11.3188                 9.2438                 9.2530
 IR Inten    --     21.4883                 0.1698                 0.1379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.16   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05   0.13  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.17  -0.07   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.14   0.16  -0.03     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.04  -0.11   0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.14   0.05  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.17  -0.10   0.03    -0.00   0.00  -0.00    -0.01   0.01  -0.00
     8   6    -0.11   0.22   0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.00
     9   6     0.00  -0.05   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.04   0.01  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.05   0.12   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    12   6     0.17  -0.20   0.02    -0.00   0.00  -0.00    -0.01   0.02  -0.00
    13   6    -0.21   0.11  -0.03     0.00  -0.00   0.00     0.02  -0.01   0.00
    14   6     0.04  -0.15  -0.02    -0.00   0.00   0.00    -0.00   0.01   0.00
    15   7     0.01   0.02  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.02  -0.07   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.01   0.04  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.06  -0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   6    -0.02   0.03  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6    -0.01  -0.05   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.04   0.06  -0.02     0.00   0.01  -0.00     0.00  -0.00   0.00
    22   6     0.04  -0.03   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   7     0.01   0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    24   7    -0.02   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    25   7     0.00  -0.00  -0.00    -0.02  -0.01   0.00     0.00   0.00  -0.00
    26   6    -0.04   0.01  -0.04     0.02  -0.01   0.03     0.13  -0.06   0.17
    27   6     0.06   0.02   0.03    -0.02  -0.02   0.00    -0.11  -0.10   0.02
    28   6    -0.07  -0.03  -0.03    -0.03  -0.01  -0.02    -0.16  -0.02  -0.11
    29   6     0.04   0.05  -0.02     0.03   0.04  -0.02     0.13   0.20  -0.10
    30   6     0.05  -0.00   0.02    -0.00  -0.00  -0.00    -0.04  -0.00  -0.02
    31   6    -0.05   0.03  -0.00     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    32   6     0.05  -0.04  -0.00     0.00  -0.00   0.00     0.02  -0.00   0.01
    33   6    -0.02   0.05   0.03    -0.00   0.00   0.00    -0.00   0.03   0.02
    34   6     0.01  -0.00  -0.01     0.14  -0.09  -0.15    -0.03   0.02   0.03
    35   6    -0.02  -0.01   0.01    -0.12  -0.12   0.00     0.03   0.02  -0.00
    36   6     0.02   0.01  -0.01    -0.16   0.00   0.11     0.02  -0.00  -0.02
    37   6    -0.01  -0.02  -0.00     0.12   0.22   0.06    -0.02  -0.03  -0.01
    38   6     0.04   0.03  -0.00     0.02   0.01   0.01     0.11   0.03   0.05
    39   6    -0.06  -0.07   0.02    -0.03  -0.03   0.00    -0.17  -0.15   0.02
    40   6     0.07   0.04   0.01     0.04   0.02   0.01     0.21   0.10   0.06
    41   6    -0.03  -0.04   0.02    -0.02  -0.02   0.01    -0.09  -0.11   0.05
    42   6     0.02  -0.01   0.03    -0.01   0.00  -0.02    -0.08   0.03  -0.10
    43   6    -0.05  -0.01  -0.03     0.03   0.01   0.01     0.17   0.07   0.06
    44   6     0.06  -0.01   0.07    -0.02  -0.00  -0.02    -0.14  -0.01  -0.11
    45   6    -0.03   0.01  -0.04     0.01   0.01   0.00     0.08   0.05   0.01
    46   6    -0.02   0.03   0.02    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    47   6     0.03  -0.07  -0.04     0.00  -0.00  -0.00     0.01  -0.02  -0.01
    48   6    -0.04   0.04   0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    49   6     0.00  -0.03  -0.02     0.00  -0.00  -0.00     0.00  -0.02  -0.01
    50   6    -0.03  -0.00  -0.02     0.00  -0.00   0.00     0.02  -0.00   0.01
    51   6     0.05  -0.03   0.01    -0.00   0.00   0.00    -0.03   0.02  -0.00
    52   6    -0.07   0.01  -0.03     0.00  -0.00   0.00     0.03  -0.01   0.01
    53   6     0.04  -0.01   0.01    -0.00   0.00   0.00    -0.01   0.01   0.00
    54   6    -0.01  -0.01  -0.00     0.10   0.02  -0.06    -0.02  -0.00   0.01
    55   6     0.02   0.02   0.00    -0.16  -0.15   0.01     0.02   0.02  -0.00
    56   6    -0.02  -0.01   0.00     0.21   0.09  -0.08    -0.03  -0.01   0.01
    57   6     0.01   0.01   0.00    -0.09  -0.12  -0.02     0.01   0.02   0.00
    58   6    -0.01   0.00   0.01    -0.09   0.04   0.09     0.02  -0.01  -0.02
    59   6     0.02   0.00  -0.01     0.18   0.07  -0.08    -0.04  -0.02   0.02
    60   6    -0.02   0.00   0.02    -0.15   0.01   0.11     0.03  -0.00  -0.02
    61   6     0.01   0.00  -0.01     0.08   0.06  -0.02    -0.02  -0.01   0.00
    62   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    63  15    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    64   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    65   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    69   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    70   1     0.15  -0.11  -0.02    -0.00   0.00   0.00    -0.00   0.01   0.00
    71   1    -0.13   0.06  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    72   1    -0.16   0.10   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    73   1    -0.12   0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
    74   1     0.32   0.07   0.09    -0.00  -0.00  -0.00    -0.03  -0.01  -0.01
    75   1     0.22   0.10   0.10    -0.00  -0.00  -0.00    -0.02  -0.01  -0.01
    76   1     0.02   0.03  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    77   1     0.05   0.03  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    78   1    -0.05  -0.03   0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
    79   1     0.04   0.03   0.00     0.01   0.03  -0.02     0.05   0.15  -0.11
    80   1     0.07   0.11  -0.06     0.02   0.04  -0.03     0.11   0.23  -0.16
    81   1    -0.08   0.00  -0.07    -0.06  -0.01  -0.04    -0.30  -0.03  -0.21
    82   1    -0.05   0.00  -0.05    -0.03  -0.01  -0.02    -0.17  -0.02  -0.12
    83   1     0.04   0.05  -0.02    -0.02  -0.02   0.00    -0.14  -0.12   0.02
    84   1     0.05   0.06  -0.02    -0.04  -0.03   0.00    -0.23  -0.20   0.02
    85   1    -0.08   0.03  -0.10     0.02  -0.02   0.03     0.12  -0.09   0.19
    86   1    -0.05  -0.03  -0.01     0.01  -0.02   0.02     0.06  -0.09   0.13
    87   1    -0.03   0.03   0.00     0.00   0.00   0.00     0.00   0.02   0.02
    88   1    -0.02   0.10   0.06     0.00   0.00   0.00     0.00   0.03   0.02
    89   1     0.07  -0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.01
    90   1     0.05  -0.01   0.03     0.00  -0.00   0.00     0.02  -0.01   0.01
    91   1    -0.02   0.05   0.03     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    92   1    -0.02   0.06   0.03     0.00  -0.00  -0.00     0.03  -0.05  -0.02
    93   1     0.10   0.01   0.06    -0.00  -0.00  -0.00    -0.04  -0.01  -0.03
    94   1     0.03  -0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.02
    95   1    -0.01  -0.01   0.00     0.04   0.17   0.08    -0.00  -0.03  -0.01
    96   1    -0.02  -0.03  -0.01     0.10   0.26   0.10    -0.01  -0.04  -0.02
    97   1     0.02  -0.00  -0.02    -0.30   0.00   0.21     0.05  -0.00  -0.03
    98   1     0.01  -0.00  -0.01    -0.17  -0.01   0.11     0.03  -0.00  -0.02
    99   1    -0.01  -0.02  -0.00    -0.14  -0.13   0.01     0.03   0.02  -0.00
   100   1    -0.02  -0.02  -0.00    -0.24  -0.22   0.02     0.05   0.05  -0.01
   101   1     0.02  -0.01  -0.02     0.13  -0.13  -0.17    -0.03   0.03   0.04
   102   1     0.01   0.00  -0.01     0.06  -0.12  -0.12    -0.02   0.02   0.02
   103   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   104   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   105   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   106   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   107   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   109   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   110   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   113  17    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                    277                    278                    279
                      A                      A                      A
 Frequencies --   1629.4749              1630.2358              1631.3710
 Red. masses --      5.9190                 6.7374                 6.6783
 Frc consts  --      9.2597                10.5497                10.4718
 IR Inten    --      0.1357                 0.5817                 8.9653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.05  -0.02  -0.00
     2   6     0.00  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02  -0.00
     3   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.03   0.01   0.00
     4   6     0.00  -0.01   0.00     0.02   0.00  -0.00     0.02   0.02  -0.00
     5   6    -0.00   0.01  -0.00    -0.01   0.01   0.00    -0.02  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.02  -0.01  -0.00     0.05   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.04   0.00  -0.01
     8   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.02  -0.03   0.00
     9   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.01  -0.00
    10   6    -0.01  -0.00   0.00    -0.06  -0.02   0.02     0.01  -0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.04   0.01   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.04  -0.02
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.07  -0.02   0.01
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02   0.02  -0.00
    15   7    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00     0.02  -0.02   0.00    -0.00   0.01  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.02  -0.01     0.00  -0.01   0.00
    18   7     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.01  -0.03   0.01     0.00   0.01  -0.00
    21   6    -0.00  -0.00   0.00    -0.02   0.06  -0.00     0.00  -0.01   0.00
    22   6     0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    23   7     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.02   0.03
    24   7     0.00   0.00   0.00     0.00  -0.01   0.01     0.01  -0.03   0.04
    25   7     0.00  -0.00  -0.00     0.01  -0.06  -0.04    -0.00   0.00   0.00
    26   6    -0.02   0.01  -0.03    -0.03   0.00  -0.03    -0.13   0.01  -0.12
    27   6     0.02   0.02  -0.00     0.04   0.02   0.01     0.18   0.11   0.03
    28   6     0.02   0.00   0.02    -0.02  -0.01  -0.01    -0.15  -0.07  -0.05
    29   6    -0.02  -0.03   0.01     0.01   0.01  -0.00     0.09   0.09  -0.02
    30   6    -0.20  -0.02  -0.12     0.02  -0.00   0.01    -0.12   0.02  -0.05
    31   6     0.09  -0.14  -0.06    -0.02   0.02   0.00     0.12  -0.11  -0.02
    32   6     0.17  -0.06   0.05     0.01  -0.01   0.00    -0.13   0.09  -0.00
    33   6    -0.04   0.20   0.14    -0.00   0.00  -0.00     0.05  -0.11  -0.06
    34   6    -0.00   0.00   0.00    -0.16   0.04   0.14     0.01  -0.00  -0.01
    35   6     0.01   0.00  -0.00     0.23   0.12  -0.08    -0.01  -0.01   0.01
    36   6    -0.01  -0.00   0.00    -0.21  -0.07   0.10     0.02   0.00  -0.01
    37   6     0.01   0.01   0.00     0.12   0.14   0.01    -0.01  -0.01  -0.00
    38   6    -0.01  -0.00  -0.01     0.01   0.00   0.00     0.08   0.03   0.03
    39   6     0.02   0.02  -0.00    -0.02  -0.01   0.00    -0.10  -0.09   0.01
    40   6    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.14   0.05   0.05
    41   6     0.01   0.02  -0.01    -0.01  -0.00  -0.00    -0.07  -0.03  -0.02
    42   6     0.01  -0.00   0.02     0.02   0.00   0.01     0.09   0.03   0.05
    43   6    -0.03  -0.01  -0.01    -0.04  -0.02  -0.01    -0.18  -0.09  -0.05
    44   6     0.03   0.00   0.02     0.03   0.00   0.02     0.15   0.01   0.10
    45   6    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01    -0.10  -0.06  -0.02
    46   6    -0.10   0.05  -0.01    -0.00   0.00  -0.00     0.07  -0.05  -0.00
    47   6     0.11  -0.17  -0.08     0.00  -0.00  -0.00    -0.07   0.11   0.05
    48   6    -0.18   0.14   0.02    -0.01   0.00  -0.00     0.12  -0.09  -0.00
    49   6     0.04  -0.12  -0.08     0.00   0.00   0.00    -0.05   0.05   0.02
    50   6     0.12  -0.00   0.07    -0.01   0.00  -0.01     0.07  -0.04   0.01
    51   6    -0.18   0.12  -0.00     0.02  -0.02   0.00    -0.12   0.10   0.01
    52   6     0.18  -0.05   0.06    -0.02   0.01  -0.01     0.13  -0.04   0.04
    53   6    -0.07   0.08   0.02     0.01  -0.01   0.00    -0.06   0.06   0.01
    54   6     0.01   0.00  -0.00     0.11   0.04  -0.05    -0.01  -0.00   0.00
    55   6    -0.01  -0.01   0.00    -0.15  -0.14   0.01     0.01   0.01  -0.00
    56   6     0.01   0.00  -0.00     0.20   0.07  -0.09    -0.02  -0.01   0.01
    57   6    -0.00  -0.00   0.00    -0.10  -0.05   0.03     0.01   0.00  -0.00
    58   6     0.00   0.00  -0.00     0.11   0.02  -0.06    -0.01  -0.00   0.00
    59   6    -0.01  -0.00   0.00    -0.22  -0.11   0.08     0.01   0.01  -0.00
    60   6     0.00  -0.00  -0.00     0.19  -0.01  -0.13    -0.01   0.00   0.01
    61   6    -0.00  -0.00   0.00    -0.12  -0.06   0.04     0.01   0.00  -0.00
    62   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    63  15    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    64   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    65   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    67   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    70   1    -0.00   0.00   0.00    -0.00   0.02   0.00    -0.01   0.07  -0.00
    71   1     0.01  -0.01   0.00    -0.00  -0.02   0.00    -0.02   0.00   0.00
    72   1     0.00  -0.01  -0.00    -0.04   0.00   0.00    -0.06   0.02   0.00
    73   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.02  -0.08  -0.02
    74   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.10  -0.01  -0.03
    75   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.05  -0.01  -0.02
    76   1     0.00  -0.00  -0.00     0.05   0.01  -0.02    -0.00  -0.00   0.00
    77   1    -0.00  -0.00   0.00     0.03   0.01  -0.00    -0.01  -0.00   0.00
    78   1    -0.00   0.00   0.00     0.01  -0.02   0.01     0.01   0.00  -0.00
    79   1    -0.01  -0.02   0.02     0.01   0.01  -0.00     0.07   0.07  -0.01
    80   1    -0.02  -0.03   0.02     0.01   0.02  -0.01     0.07   0.14  -0.10
    81   1     0.04   0.00   0.03    -0.02  -0.00  -0.02    -0.17  -0.02  -0.11
    82   1     0.02   0.00   0.02    -0.01  -0.01   0.00    -0.07  -0.05   0.00
    83   1     0.02   0.02  -0.00     0.02   0.01   0.01     0.10   0.03   0.05
    84   1     0.04   0.03  -0.00     0.05   0.04  -0.00     0.23   0.18  -0.00
    85   1    -0.02   0.02  -0.03    -0.03   0.02  -0.04    -0.11   0.10  -0.19
    86   1    -0.01   0.01  -0.02    -0.02   0.01  -0.02    -0.08   0.04  -0.10
    87   1     0.02   0.14   0.12    -0.00   0.00   0.00     0.04  -0.08  -0.04
    88   1     0.00   0.23   0.18     0.00   0.00   0.00     0.00  -0.15  -0.11
    89   1     0.33  -0.11   0.09     0.01  -0.00   0.00    -0.19   0.07  -0.05
    90   1     0.18  -0.07   0.05    -0.00  -0.00  -0.00    -0.06   0.06   0.01
    91   1     0.10  -0.15  -0.07    -0.01   0.01   0.00     0.08  -0.04   0.01
    92   1     0.18  -0.26  -0.11    -0.02   0.03   0.01     0.12  -0.16  -0.06
    93   1    -0.21  -0.05  -0.16     0.03   0.01   0.02    -0.14  -0.04  -0.11
    94   1    -0.12  -0.06  -0.11     0.01  -0.00   0.01    -0.09   0.00  -0.04
    95   1     0.00   0.01   0.00     0.08   0.11   0.01    -0.01  -0.01  -0.00
    96   1     0.00   0.01   0.00     0.09   0.23   0.09    -0.01  -0.02  -0.01
    97   1    -0.01  -0.00   0.01    -0.25  -0.01   0.16     0.02   0.00  -0.01
    98   1    -0.01  -0.00   0.00    -0.10  -0.07   0.02     0.01   0.01  -0.00
    99   1     0.00  -0.00  -0.00     0.13   0.03  -0.06    -0.01   0.00   0.00
   100   1     0.01   0.01  -0.00     0.27   0.22  -0.04    -0.02  -0.01   0.00
   101   1    -0.00   0.00   0.01    -0.15   0.16   0.21     0.01  -0.01  -0.01
   102   1    -0.00  -0.00   0.00    -0.11   0.05   0.11     0.01  -0.00  -0.01
   103   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   104   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   105   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   106   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   107   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   109   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   110   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   111   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   112   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   113  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    280                    281                    282
                      A                      A                      A
 Frequencies --   1632.6877              1642.9151              1650.4152
 Red. masses --      6.9925                 6.8628                 6.3281
 Frc consts  --     10.9822                10.9139                10.1557
 IR Inten    --      3.9622               301.8256                72.0198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.08  -0.00     0.10  -0.08  -0.00     0.01  -0.03   0.00
     2   6    -0.03  -0.05   0.01    -0.10   0.15  -0.00    -0.01   0.04  -0.00
     3   6     0.08   0.02  -0.00     0.14  -0.08  -0.00    -0.01  -0.04  -0.00
     4   6    -0.06  -0.06   0.01    -0.12   0.04   0.00     0.01   0.02  -0.00
     5   6     0.02   0.05  -0.01     0.13  -0.13   0.00     0.01  -0.03   0.00
     6   6    -0.06  -0.03   0.01    -0.19   0.07   0.01    -0.02   0.01   0.00
     7   6    -0.07   0.03  -0.01    -0.03   0.05  -0.00     0.10   0.06   0.03
     8   6     0.04  -0.07   0.00     0.02  -0.03   0.00    -0.05  -0.04  -0.02
     9   6    -0.00   0.01  -0.00    -0.03  -0.03   0.01     0.01   0.01  -0.00
    10   6    -0.03  -0.01   0.01     0.24   0.09  -0.08    -0.04  -0.02   0.02
    11   6     0.03  -0.04   0.00    -0.01  -0.05  -0.01    -0.10  -0.10  -0.04
    12   6    -0.07   0.08  -0.01     0.00   0.05   0.01     0.08   0.04   0.04
    13   6     0.08  -0.04   0.01    -0.00  -0.02  -0.00    -0.12  -0.02  -0.04
    14   6    -0.02   0.04   0.00     0.01   0.03   0.01     0.09   0.08   0.04
    15   7    -0.00  -0.01   0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    16   6    -0.00   0.03  -0.01    -0.05  -0.12   0.06     0.01   0.02  -0.01
    17   6    -0.01  -0.02   0.01     0.13   0.11  -0.08    -0.03  -0.02   0.02
    18   7     0.04   0.01  -0.01    -0.19  -0.06   0.07     0.03   0.01  -0.01
    19   6     0.00  -0.01   0.01     0.14   0.07  -0.07    -0.03  -0.01   0.01
    20   6     0.01   0.02  -0.01    -0.15  -0.17   0.11     0.03   0.03  -0.02
    21   6     0.01  -0.03   0.01     0.10   0.10  -0.07    -0.02  -0.02   0.01
    22   6    -0.01   0.01  -0.00    -0.14  -0.04   0.05     0.03   0.01  -0.01
    23   7    -0.03  -0.04  -0.04    -0.00   0.01   0.00    -0.01  -0.00  -0.01
    24   7     0.01  -0.03   0.03    -0.00  -0.01   0.00    -0.01   0.02  -0.03
    25   7    -0.00   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.00  -0.00
    26   6    -0.09   0.01  -0.08    -0.01  -0.00  -0.00     0.03  -0.08   0.11
    27   6     0.14   0.08   0.03     0.02   0.02  -0.00     0.06   0.09  -0.05
    28   6    -0.13  -0.05  -0.05    -0.02  -0.00  -0.01    -0.09   0.07  -0.14
    29   6     0.07   0.07  -0.02     0.01  -0.00   0.01    -0.01  -0.13   0.13
    30   6     0.14  -0.03   0.06    -0.02  -0.00  -0.02     0.02   0.02   0.03
    31   6    -0.15   0.13   0.02     0.02   0.02   0.02     0.01  -0.04  -0.03
    32   6     0.16  -0.10   0.01    -0.03  -0.02  -0.03    -0.04  -0.00  -0.02
    33   6    -0.06   0.11   0.06     0.00   0.02   0.02     0.02   0.03   0.03
    34   6     0.02  -0.00  -0.02    -0.01   0.00   0.01    -0.00   0.01   0.01
    35   6    -0.03  -0.02   0.01     0.02  -0.00  -0.02    -0.01  -0.01  -0.00
    36   6     0.03   0.01  -0.02    -0.02   0.02   0.03     0.01  -0.01  -0.01
    37   6    -0.02  -0.02  -0.00     0.00  -0.02  -0.02     0.00   0.02   0.01
    38   6     0.06   0.02   0.03     0.01  -0.01   0.01     0.07  -0.14   0.21
    39   6    -0.08  -0.07   0.00    -0.01   0.00  -0.01     0.02   0.12  -0.11
    40   6     0.12   0.04   0.05     0.01   0.00   0.01     0.07  -0.04   0.10
    41   6    -0.06  -0.02  -0.02    -0.01   0.00  -0.01    -0.06   0.12  -0.18
    42   6     0.07   0.03   0.03     0.01   0.01  -0.01     0.03   0.12  -0.11
    43   6    -0.14  -0.08  -0.03    -0.02  -0.01   0.00    -0.04  -0.07   0.05
    44   6     0.11   0.02   0.07     0.01   0.01  -0.00    -0.03   0.07  -0.10
    45   6    -0.07  -0.05  -0.00    -0.01  -0.02   0.01    -0.03  -0.14   0.12
    46   6    -0.09   0.05  -0.01     0.03   0.02   0.03     0.04   0.02   0.04
    47   6     0.08  -0.12  -0.05    -0.01  -0.02  -0.02    -0.01  -0.03  -0.03
    48   6    -0.15   0.10  -0.01     0.02   0.00   0.01     0.03   0.00   0.02
    49   6     0.07  -0.05  -0.01    -0.02  -0.01  -0.02    -0.04  -0.02  -0.04
    50   6    -0.08   0.05  -0.00     0.01   0.01   0.02    -0.01  -0.04  -0.04
    51   6     0.15  -0.13  -0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.02
    52   6    -0.15   0.05  -0.04     0.01   0.01   0.01    -0.02  -0.02  -0.03
    53   6     0.07  -0.08  -0.02    -0.01  -0.02  -0.02     0.01   0.05   0.04
    54   6    -0.02  -0.00   0.01     0.02  -0.03  -0.04    -0.01   0.02   0.02
    55   6     0.02   0.02  -0.00    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    56   6    -0.03  -0.01   0.01     0.02  -0.01  -0.02    -0.01   0.01   0.01
    57   6     0.01   0.00  -0.01    -0.02   0.03   0.03     0.01  -0.02  -0.02
    58   6    -0.01  -0.01   0.01     0.01  -0.00  -0.01    -0.00  -0.01  -0.01
    59   6     0.03   0.01  -0.01    -0.01  -0.00   0.01     0.00   0.01   0.00
    60   6    -0.02  -0.00   0.01     0.01  -0.00  -0.01     0.00  -0.01  -0.01
    61   6     0.01   0.01  -0.00    -0.01   0.00   0.01     0.00   0.02   0.01
    62   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    63  15     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    64   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    65   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    66   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    70   1    -0.06   0.01   0.01     0.07  -0.27  -0.00     0.05  -0.09  -0.01
    71   1     0.05  -0.03   0.00    -0.01   0.25  -0.02    -0.01   0.02  -0.00
    72   1     0.06  -0.05   0.01     0.30   0.02  -0.03     0.03   0.01  -0.00
    73   1     0.04  -0.03   0.00     0.07   0.07   0.04     0.11   0.21   0.06
    74   1    -0.10  -0.03  -0.03     0.02  -0.02   0.00     0.16  -0.05   0.03
    75   1    -0.07  -0.02  -0.03    -0.02  -0.02  -0.01    -0.05  -0.13  -0.05
    76   1     0.00  -0.01   0.01    -0.19   0.11   0.00     0.04  -0.02  -0.00
    77   1    -0.02  -0.02   0.01     0.16   0.27  -0.15    -0.03  -0.05   0.03
    78   1     0.00   0.01  -0.01     0.18  -0.06  -0.01    -0.04   0.01   0.01
    79   1     0.05   0.06  -0.03    -0.00   0.01  -0.01    -0.10   0.16  -0.25
    80   1     0.05   0.11  -0.08    -0.01   0.00  -0.01    -0.15  -0.09  -0.02
    81   1    -0.15  -0.03  -0.09    -0.02  -0.01  -0.01    -0.13  -0.10   0.01
    82   1    -0.05  -0.05   0.01     0.00  -0.02   0.02     0.09  -0.13   0.22
    83   1     0.07   0.01   0.05     0.00  -0.01   0.01    -0.05  -0.15   0.12
    84   1     0.17   0.13   0.00     0.03   0.01   0.01     0.09   0.01   0.07
    85   1    -0.07   0.07  -0.14     0.00   0.01  -0.01     0.12   0.03   0.06
    86   1    -0.06   0.03  -0.08    -0.00   0.02  -0.02     0.04   0.16  -0.13
    87   1    -0.03   0.09   0.06    -0.04  -0.02  -0.04    -0.05  -0.03  -0.05
    88   1     0.01   0.15   0.12    -0.02   0.02   0.00    -0.03   0.03   0.01
    89   1     0.21  -0.08   0.05    -0.02   0.02   0.01    -0.03   0.03   0.01
    90   1     0.05  -0.08  -0.03     0.03   0.01   0.03     0.05   0.03   0.05
    91   1    -0.10   0.04  -0.03     0.00  -0.02  -0.02     0.01   0.05   0.04
    92   1    -0.15   0.20   0.07    -0.01   0.00  -0.01     0.04  -0.02   0.01
    93   1     0.16   0.05   0.13    -0.02   0.01  -0.01     0.03  -0.02   0.00
    94   1     0.11   0.00   0.06     0.01   0.04   0.03    -0.02  -0.06  -0.05
    95   1    -0.01  -0.02  -0.01    -0.02   0.05   0.05     0.01  -0.02  -0.02
    96   1    -0.01  -0.03  -0.01    -0.03  -0.01   0.01     0.02   0.01  -0.00
    97   1     0.04   0.00  -0.02    -0.04  -0.02   0.01     0.01   0.01  -0.00
    98   1     0.01   0.01   0.00     0.02  -0.04  -0.04    -0.01   0.02   0.02
    99   1    -0.02   0.00   0.01     0.01   0.01  -0.00     0.00   0.01   0.01
   100   1    -0.03  -0.03   0.01     0.01   0.01  -0.00    -0.01  -0.00   0.01
   101   1     0.02  -0.02  -0.02    -0.01   0.01   0.01    -0.01  -0.00   0.00
   102   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00    -0.00  -0.02  -0.01
   103   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   104   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
   105   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   106   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   107   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   108   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   109   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   110   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   111   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.01
   112   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    283                    284                    285
                      A                      A                      A
 Frequencies --   1651.1247              1651.2691              1654.1823
 Red. masses --      6.6340                 6.5872                 6.0877
 Frc consts  --     10.6558                10.5825                 9.8146
 IR Inten    --     16.8793                15.0075               143.0975
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.00    -0.01  -0.01  -0.00    -0.02   0.07  -0.00
     2   6    -0.03   0.01   0.00     0.00   0.01  -0.00     0.02  -0.09   0.00
     3   6     0.05  -0.01  -0.00    -0.01  -0.00   0.00     0.00   0.07  -0.00
     4   6    -0.03  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.05   0.01
     5   6     0.02  -0.01  -0.00    -0.00  -0.01   0.00    -0.03   0.07  -0.01
     6   6    -0.04  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.04  -0.00
     7   6    -0.03   0.01  -0.01     0.01   0.00   0.00    -0.13  -0.13  -0.04
     8   6     0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.06   0.14   0.04
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.03   0.01
    10   6    -0.03  -0.01   0.01    -0.01   0.00   0.00     0.05   0.03  -0.02
    11   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.14   0.22   0.07
    12   6    -0.02   0.02  -0.00     0.01   0.00   0.00    -0.09  -0.17  -0.04
    13   6     0.02  -0.01   0.00    -0.01  -0.00  -0.00     0.17   0.08   0.06
    14   6    -0.01   0.00  -0.00     0.01   0.01   0.00    -0.16  -0.19  -0.08
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
    16   6     0.01   0.01  -0.00    -0.01  -0.02   0.01    -0.02  -0.03   0.02
    17   6    -0.01  -0.00   0.00     0.03   0.03  -0.02     0.04   0.03  -0.02
    18   7     0.03   0.01  -0.01    -0.00  -0.00   0.00    -0.05  -0.02   0.02
    19   6    -0.01  -0.00   0.00     0.02   0.02  -0.01     0.04   0.02  -0.02
    20   6     0.01   0.01  -0.01    -0.02  -0.04   0.02    -0.04  -0.05   0.03
    21   6    -0.01   0.00   0.00     0.01   0.05  -0.01     0.03   0.03  -0.02
    22   6     0.01   0.00  -0.00    -0.03  -0.02   0.01    -0.04  -0.01   0.01
    23   7    -0.03  -0.03  -0.03     0.01   0.01   0.01     0.00  -0.02  -0.01
    24   7     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.01   0.04  -0.02
    25   7     0.00  -0.01  -0.01     0.00  -0.05  -0.03    -0.01  -0.01   0.00
    26   6    -0.01   0.03  -0.04    -0.00   0.00  -0.01     0.04  -0.08   0.12
    27   6    -0.01  -0.03   0.02    -0.00  -0.01   0.00     0.02   0.09  -0.08
    28   6     0.03  -0.02   0.04     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    29   6     0.01   0.05  -0.04    -0.00   0.00  -0.00    -0.01  -0.04   0.04
    30   6     0.11   0.08   0.12    -0.03  -0.02  -0.03     0.03   0.01   0.03
    31   6     0.01  -0.12  -0.09    -0.00   0.03   0.02    -0.01  -0.02  -0.02
    32   6    -0.14  -0.03  -0.10     0.03   0.01   0.02    -0.01  -0.00  -0.01
    33   6     0.06   0.13   0.13    -0.01  -0.03  -0.03     0.00   0.02   0.02
    34   6    -0.01   0.03   0.03    -0.05   0.15   0.13    -0.01   0.01   0.01
    35   6    -0.01  -0.03  -0.01    -0.06  -0.15  -0.06    -0.00  -0.01  -0.01
    36   6     0.02  -0.02  -0.03     0.09  -0.08  -0.11     0.00   0.00  -0.00
    37   6     0.00   0.04   0.02     0.01   0.16   0.10     0.00   0.00   0.00
    38   6    -0.02   0.05  -0.07    -0.00   0.00  -0.00     0.01  -0.03   0.04
    39   6    -0.01  -0.04   0.04    -0.00  -0.00   0.00     0.02   0.04  -0.03
    40   6    -0.02   0.01  -0.03    -0.00   0.00  -0.00    -0.00  -0.02   0.02
    41   6     0.02  -0.04   0.06     0.00  -0.00   0.00    -0.01   0.03  -0.04
    42   6    -0.01  -0.04   0.04    -0.00  -0.01   0.01     0.01   0.11  -0.10
    43   6     0.01   0.02  -0.02     0.00   0.00  -0.00    -0.02  -0.06   0.04
    44   6     0.02  -0.02   0.04     0.00  -0.00   0.01    -0.04   0.06  -0.09
    45   6     0.01   0.05  -0.05     0.00   0.01  -0.01    -0.02  -0.12   0.11
    46   6     0.16   0.11   0.17    -0.04  -0.02  -0.04     0.02   0.01   0.02
    47   6    -0.04  -0.12  -0.11     0.01   0.03   0.03    -0.00  -0.01  -0.01
    48   6     0.10   0.02   0.07    -0.02  -0.00  -0.02     0.01   0.00   0.01
    49   6    -0.14  -0.09  -0.15     0.03   0.02   0.03    -0.01  -0.01  -0.02
    50   6    -0.05  -0.14  -0.15     0.01   0.03   0.04    -0.01  -0.02  -0.02
    51   6    -0.00   0.09   0.07     0.00  -0.02  -0.02     0.01   0.01   0.01
    52   6    -0.10  -0.06  -0.11     0.02   0.02   0.03    -0.02  -0.01  -0.02
    53   6     0.06   0.17   0.16    -0.01  -0.04  -0.04     0.01   0.02   0.03
    54   6    -0.02   0.04   0.04    -0.08   0.18   0.16    -0.00   0.00   0.00
    55   6    -0.00  -0.03  -0.02    -0.02  -0.14  -0.08    -0.00  -0.00  -0.00
    56   6    -0.02   0.01   0.02    -0.07   0.06   0.09    -0.00   0.00   0.00
    57   6     0.02  -0.04  -0.03     0.07  -0.15  -0.15     0.00  -0.00  -0.00
    58   6    -0.01  -0.04  -0.02    -0.02  -0.20  -0.12    -0.00  -0.01  -0.01
    59   6     0.01   0.02   0.01     0.05   0.11   0.04     0.00   0.01   0.00
    60   6     0.01  -0.03  -0.02     0.05  -0.12  -0.12     0.01  -0.01  -0.01
    61   6     0.01   0.05   0.03     0.03   0.23   0.13     0.00   0.02   0.01
    62   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    63  15     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    64   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    65   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    66   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    70   1    -0.01  -0.05   0.01     0.01  -0.00  -0.00    -0.08   0.16   0.02
    71   1     0.01   0.01  -0.00    -0.01   0.01  -0.00     0.02  -0.07   0.01
    72   1     0.04  -0.02   0.00    -0.00   0.01  -0.00    -0.08  -0.02   0.01
    73   1     0.01  -0.01   0.00     0.00   0.01   0.00    -0.22  -0.33  -0.10
    74   1    -0.02  -0.00  -0.01     0.01  -0.00   0.00    -0.23   0.12  -0.02
    75   1    -0.01   0.01  -0.00    -0.00  -0.01  -0.00     0.16   0.28   0.13
    76   1     0.02  -0.01  -0.00    -0.02   0.02  -0.00    -0.06   0.03   0.00
    77   1    -0.01  -0.02   0.01     0.04   0.04  -0.02     0.04   0.07  -0.04
    78   1    -0.01   0.00   0.00     0.06  -0.02   0.00     0.05  -0.02  -0.00
    79   1     0.03  -0.05   0.08     0.00  -0.00   0.00    -0.02   0.02  -0.04
    80   1     0.05   0.03   0.01     0.00   0.00   0.00    -0.04  -0.03   0.00
    81   1     0.04   0.03  -0.01     0.00   0.00   0.00    -0.01  -0.02   0.01
    82   1    -0.03   0.04  -0.07    -0.00   0.00  -0.01     0.03  -0.02   0.04
    83   1     0.02   0.06  -0.04     0.00   0.01  -0.01    -0.05  -0.13   0.10
    84   1    -0.03   0.00  -0.02    -0.01  -0.00  -0.00     0.06  -0.00   0.06
    85   1    -0.04  -0.01  -0.03    -0.01  -0.00  -0.00     0.11   0.02   0.06
    86   1    -0.02  -0.06   0.05    -0.00  -0.01   0.01     0.05   0.17  -0.13
    87   1    -0.21  -0.11  -0.20     0.05   0.02   0.05    -0.02  -0.01  -0.02
    88   1    -0.12   0.13   0.03     0.03  -0.03  -0.01    -0.01   0.01   0.00
    89   1    -0.08   0.12   0.05     0.02  -0.03  -0.01    -0.00   0.01   0.01
    90   1     0.19   0.08   0.17    -0.04  -0.02  -0.04     0.02   0.00   0.01
    91   1     0.03   0.19   0.17    -0.01  -0.05  -0.04     0.00   0.03   0.03
    92   1     0.13  -0.04   0.04    -0.03   0.01  -0.01     0.01   0.00   0.01
    93   1     0.15  -0.08   0.02    -0.04   0.02  -0.01     0.03  -0.01   0.01
    94   1    -0.05  -0.21  -0.19     0.01   0.05   0.05    -0.00  -0.04  -0.03
    95   1     0.03  -0.05  -0.05     0.11  -0.20  -0.20     0.00  -0.00  -0.00
    96   1     0.03   0.02  -0.01     0.15   0.10  -0.04     0.00   0.00  -0.00
    97   1     0.03   0.02  -0.00     0.11   0.10  -0.01     0.00   0.00   0.00
    98   1    -0.02   0.04   0.04    -0.10   0.17   0.18    -0.00   0.00   0.00
    99   1     0.01   0.05   0.03     0.06   0.25   0.12     0.01   0.02   0.01
   100   1    -0.03   0.00   0.02    -0.13   0.00   0.09    -0.01   0.00   0.01
   101   1    -0.03  -0.01   0.02    -0.17  -0.03   0.09    -0.01  -0.00   0.01
   102   1    -0.01  -0.06  -0.03    -0.06  -0.28  -0.14    -0.01  -0.02  -0.01
   103   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   104   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   105   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   106   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   107   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   109   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.00
   111   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
   112   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                    286                    287                    288
                      A                      A                      A
 Frequencies --   1659.7710              1671.8925              1673.2436
 Red. masses --      6.5971                 7.0818                 6.7300
 Frc consts  --     10.7078                11.6631                11.1016
 IR Inten    --    131.1658                44.7169                 1.1379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.13   0.00     0.02   0.00  -0.00     0.02  -0.04   0.00
     2   6    -0.10   0.20  -0.01    -0.01  -0.00   0.00    -0.02   0.05  -0.00
     3   6     0.14  -0.12   0.00     0.02   0.01  -0.00     0.02  -0.03  -0.00
     4   6    -0.06   0.14  -0.01    -0.04  -0.02   0.01    -0.00   0.02  -0.00
     5   6     0.12  -0.20   0.01     0.01   0.01  -0.00     0.02  -0.04   0.00
     6   6    -0.15   0.10   0.01    -0.02  -0.00   0.00    -0.04   0.02   0.00
     7   6    -0.10  -0.01  -0.02    -0.01   0.01  -0.00     0.04   0.03   0.01
     8   6     0.05   0.04   0.02     0.01  -0.01   0.00    -0.02  -0.02  -0.01
     9   6    -0.00   0.00   0.00    -0.02  -0.01   0.00     0.01   0.01  -0.00
    10   6    -0.06  -0.06   0.03     0.16   0.05  -0.05    -0.04  -0.02   0.01
    11   6     0.07   0.07   0.03     0.00  -0.01  -0.00    -0.04  -0.06  -0.02
    12   6    -0.04  -0.04  -0.02    -0.00   0.01  -0.00     0.05   0.04   0.02
    13   6     0.08   0.03   0.02     0.01  -0.00   0.00    -0.06  -0.01  -0.02
    14   6    -0.07  -0.08  -0.04    -0.00   0.01   0.00     0.04   0.04   0.02
    15   7    -0.01   0.00   0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
    16   6     0.08   0.02  -0.03     0.04  -0.04   0.01    -0.00   0.01  -0.00
    17   6    -0.14  -0.04   0.05    -0.02   0.01  -0.00    -0.00  -0.01   0.00
    18   7     0.08   0.02  -0.03    -0.12  -0.03   0.04     0.03   0.01  -0.01
    19   6    -0.15  -0.02   0.05    -0.05   0.01   0.00     0.00  -0.00   0.00
    20   6     0.12   0.09  -0.06     0.02  -0.02   0.00     0.00   0.01  -0.00
    21   6    -0.13  -0.01   0.04    -0.04   0.05  -0.01     0.00  -0.01   0.00
    22   6     0.18  -0.00  -0.04     0.07  -0.02  -0.00    -0.00   0.01  -0.00
    23   7     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    25   7     0.02   0.00  -0.01     0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   6     0.01  -0.03   0.04    -0.00   0.01  -0.01     0.00  -0.12   0.13
    27   6     0.01   0.05  -0.04    -0.00  -0.01   0.01     0.05   0.15  -0.12
    28   6     0.01  -0.03   0.04    -0.00   0.00  -0.01     0.07  -0.09   0.15
    29   6     0.00   0.02  -0.02     0.00  -0.00   0.01    -0.02   0.11  -0.13
    30   6    -0.05  -0.04  -0.06     0.05   0.07   0.08     0.04   0.07   0.08
    31   6     0.02   0.07   0.07    -0.02  -0.09  -0.08    -0.02  -0.10  -0.08
    32   6    -0.04  -0.02  -0.04     0.09   0.04   0.08     0.09   0.04   0.08
    33   6     0.01   0.02   0.02    -0.05  -0.06  -0.07    -0.06  -0.06  -0.08
    34   6     0.00  -0.02  -0.01     0.01  -0.14  -0.10    -0.00   0.04   0.03
    35   6     0.00   0.03   0.02     0.04   0.18   0.09    -0.01  -0.05  -0.03
    36   6     0.01  -0.04  -0.03     0.08  -0.14  -0.14    -0.02   0.04   0.04
    37   6     0.00   0.04   0.03    -0.02   0.15   0.11     0.01  -0.04  -0.03
    38   6    -0.01   0.02  -0.03     0.00  -0.00   0.01    -0.06   0.10  -0.15
    39   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.06   0.07
    40   6    -0.02   0.00  -0.02     0.00  -0.00   0.00    -0.07   0.02  -0.08
    41   6     0.01  -0.02   0.03    -0.00   0.00  -0.01     0.05  -0.09   0.15
    42   6     0.01   0.04  -0.04    -0.00  -0.01   0.01     0.04   0.14  -0.12
    43   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.06  -0.08   0.04
    44   6    -0.01   0.02  -0.03     0.00  -0.00   0.01    -0.01   0.06  -0.07
    45   6    -0.01  -0.05   0.04     0.00   0.01  -0.01    -0.03  -0.14   0.12
    46   6     0.04   0.02   0.03    -0.08  -0.04  -0.08    -0.08  -0.05  -0.08
    47   6    -0.01  -0.01  -0.01     0.03   0.03   0.04     0.03   0.04   0.04
    48   6     0.03  -0.01   0.01    -0.06   0.00  -0.03    -0.06   0.00  -0.03
    49   6    -0.03  -0.01  -0.03     0.08   0.04   0.07     0.08   0.05   0.08
    50   6     0.02   0.06   0.07    -0.02  -0.08  -0.08    -0.02  -0.09  -0.08
    51   6     0.00  -0.04  -0.03    -0.02   0.06   0.04    -0.02   0.06   0.04
    52   6     0.04   0.03   0.04    -0.03  -0.03  -0.04    -0.03  -0.03  -0.04
    53   6    -0.03  -0.08  -0.07     0.03   0.09   0.08     0.03   0.09   0.08
    54   6    -0.02   0.04   0.04    -0.07   0.14   0.13     0.02  -0.04  -0.04
    55   6    -0.00  -0.03  -0.02     0.00  -0.09  -0.06    -0.00   0.03   0.02
    56   6    -0.01   0.01   0.02    -0.08   0.04   0.08     0.02  -0.01  -0.02
    57   6     0.01  -0.04  -0.03     0.07  -0.14  -0.13    -0.02   0.04   0.04
    58   6     0.01   0.03   0.01     0.03   0.17   0.09    -0.01  -0.05  -0.03
    59   6    -0.01  -0.02  -0.00    -0.06  -0.09  -0.02     0.02   0.03   0.01
    60   6    -0.00   0.01   0.01    -0.01   0.08   0.06     0.00  -0.02  -0.02
    61   6    -0.00  -0.03  -0.01    -0.03  -0.17  -0.09     0.01   0.05   0.03
    62   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    63  15    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    64   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    65   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    67   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    69   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    70   1     0.09  -0.29  -0.00    -0.00  -0.01  -0.00     0.03  -0.08  -0.01
    71   1    -0.07   0.26  -0.04     0.02   0.01   0.00    -0.01   0.04  -0.01
    72   1     0.21   0.06  -0.03     0.05  -0.01  -0.00     0.06   0.01  -0.01
    73   1    -0.04  -0.09  -0.01     0.01   0.00   0.00     0.06   0.10   0.03
    74   1    -0.09   0.04  -0.01    -0.01  -0.00  -0.00     0.08  -0.03   0.02
    75   1     0.06   0.12   0.05    -0.01   0.00  -0.00    -0.02  -0.06  -0.03
    76   1     0.20  -0.05  -0.03     0.06   0.01  -0.02    -0.00  -0.01   0.00
    77   1    -0.07  -0.18   0.09     0.02  -0.01   0.00    -0.01  -0.01   0.00
    78   1    -0.22   0.02   0.04    -0.07  -0.02   0.02     0.00   0.01  -0.00
    79   1     0.02  -0.03   0.05    -0.00   0.01  -0.01     0.08  -0.14   0.20
    80   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.09   0.05   0.02
    81   1     0.02   0.01   0.00    -0.01  -0.00  -0.00     0.09   0.07   0.00
    82   1    -0.01   0.02  -0.03     0.00  -0.00   0.01    -0.07   0.11  -0.18
    83   1    -0.01  -0.05   0.04     0.00   0.01  -0.01    -0.05  -0.17   0.14
    84   1     0.03   0.01   0.02    -0.01  -0.00  -0.00     0.10   0.02   0.06
    85   1     0.03   0.01   0.02    -0.01  -0.00  -0.00     0.10   0.04   0.04
    86   1     0.02   0.07  -0.06    -0.00  -0.01   0.01     0.05   0.20  -0.17
    87   1    -0.05  -0.03  -0.05     0.11   0.06   0.11     0.12   0.07   0.11
    88   1    -0.02   0.01  -0.00     0.05  -0.04  -0.00     0.06  -0.05  -0.01
    89   1    -0.03   0.03   0.01     0.05  -0.05  -0.02     0.05  -0.06  -0.02
    90   1     0.03   0.02   0.04    -0.09  -0.05  -0.09    -0.10  -0.05  -0.09
    91   1    -0.01  -0.08  -0.08     0.02   0.10   0.10     0.03   0.10   0.10
    92   1    -0.05   0.02  -0.02     0.07  -0.03   0.02     0.07  -0.03   0.02
    93   1    -0.06   0.03  -0.01     0.06  -0.04   0.00     0.06  -0.04   0.00
    94   1     0.03   0.11   0.10    -0.04  -0.12  -0.11    -0.04  -0.12  -0.11
    95   1     0.03  -0.05  -0.05     0.10  -0.19  -0.19    -0.03   0.06   0.05
    96   1     0.03   0.02  -0.01     0.10   0.06  -0.03    -0.03  -0.02   0.01
    97   1     0.02   0.02   0.00     0.09   0.08  -0.01    -0.03  -0.02   0.00
    98   1    -0.03   0.04   0.05    -0.09   0.15   0.16     0.03  -0.05  -0.05
    99   1    -0.01  -0.04  -0.02    -0.04  -0.20  -0.11     0.01   0.06   0.03
   100   1     0.02   0.00  -0.01     0.10   0.01  -0.06    -0.03  -0.00   0.02
   101   1     0.02   0.01  -0.01     0.10   0.03  -0.04    -0.03  -0.01   0.01
   102   1     0.01   0.04   0.02     0.04   0.23   0.12    -0.01  -0.07  -0.04
   103   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   104   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   105   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   106   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   107   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   110   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   111   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   112   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    289                    290                    291
                      A                      A                      A
 Frequencies --   1674.3884              1681.4382              3055.1267
 Red. masses --      6.7714                 8.3835                 1.0364
 Frc consts  --     11.1851                13.9649                 5.6993
 IR Inten    --      2.4333                 4.8637                12.7472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.00    -0.02   0.08  -0.00    -0.00   0.00   0.00
     2   6     0.05  -0.09   0.00     0.04  -0.10   0.00     0.00  -0.00  -0.00
     3   6    -0.07   0.05   0.00    -0.03   0.07  -0.00    -0.00  -0.00   0.00
     4   6     0.03  -0.05   0.00    -0.06  -0.08   0.02    -0.00  -0.00   0.00
     5   6    -0.06   0.09  -0.00    -0.03   0.10  -0.01     0.00   0.00   0.00
     6   6     0.08  -0.04  -0.00     0.04  -0.05   0.00     0.00  -0.00   0.00
     7   6     0.07   0.02   0.02     0.02   0.02   0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.04  -0.01     0.01  -0.04  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.06  -0.01   0.00    -0.00   0.00  -0.00
    10   6     0.01   0.02  -0.01     0.39   0.12  -0.13     0.00   0.00  -0.00
    11   6    -0.06  -0.07  -0.03    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6     0.05   0.04   0.02     0.01   0.04   0.01    -0.00  -0.00  -0.00
    13   6    -0.08  -0.02  -0.02    -0.02  -0.02  -0.01    -0.00   0.00   0.00
    14   6     0.06   0.06   0.03     0.02   0.04   0.01    -0.00   0.00   0.00
    15   7     0.00  -0.00   0.00     0.01   0.02  -0.02     0.00  -0.00   0.00
    16   6    -0.02  -0.00   0.01     0.12  -0.07   0.01     0.00   0.00  -0.00
    17   6     0.04   0.01  -0.02    -0.13  -0.02   0.04    -0.00  -0.00   0.00
    18   7    -0.02  -0.01   0.01    -0.28  -0.07   0.09    -0.00  -0.00  -0.00
    19   6     0.04   0.01  -0.01    -0.20   0.01   0.04    -0.00   0.00  -0.00
    20   6    -0.04  -0.03   0.02     0.14   0.05  -0.06     0.00  -0.00   0.00
    21   6     0.05   0.01  -0.01    -0.22   0.06   0.03     0.00  -0.00  -0.00
    22   6    -0.06   0.00   0.01     0.30  -0.05  -0.05    -0.00  -0.00   0.00
    23   7     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    24   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    25   7    -0.01  -0.00   0.00     0.03  -0.01  -0.02    -0.00  -0.00   0.00
    26   6    -0.00  -0.08   0.09    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    27   6     0.03   0.10  -0.08     0.01   0.01  -0.01     0.00   0.00   0.00
    28   6     0.05  -0.06   0.10     0.01  -0.01   0.01    -0.00  -0.00  -0.00
    29   6    -0.01   0.08  -0.09    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    30   6    -0.05  -0.08  -0.09    -0.00  -0.02  -0.01     0.00   0.00   0.00
    31   6     0.02   0.11   0.10    -0.00   0.02   0.02     0.00  -0.00   0.00
    32   6    -0.11  -0.05  -0.10    -0.02  -0.01  -0.02     0.00  -0.00  -0.00
    33   6     0.07   0.07   0.09     0.01   0.02   0.02    -0.00  -0.00  -0.00
    34   6     0.01  -0.08  -0.05    -0.01   0.08   0.06     0.00   0.00   0.00
    35   6     0.02   0.09   0.04    -0.02  -0.08  -0.04    -0.00  -0.00   0.00
    36   6     0.04  -0.06  -0.07    -0.04   0.04   0.05    -0.00  -0.00   0.00
    37   6    -0.01   0.07   0.06     0.02  -0.04  -0.04     0.00  -0.00  -0.00
    38   6    -0.04   0.07  -0.10    -0.00   0.01  -0.01     0.00   0.00   0.00
    39   6     0.00  -0.04   0.05    -0.00  -0.01   0.01     0.00   0.00  -0.00
    40   6    -0.05   0.01  -0.05    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    41   6     0.04  -0.06   0.10     0.00  -0.01   0.01     0.00   0.00   0.00
    42   6     0.02   0.09  -0.08     0.00   0.01  -0.01    -0.00  -0.00  -0.00
    43   6    -0.04  -0.06   0.02    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    44   6    -0.00   0.04  -0.05     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   6    -0.02  -0.10   0.08    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    46   6     0.10   0.06   0.10     0.02   0.01   0.02     0.00  -0.00  -0.00
    47   6    -0.03  -0.04  -0.05    -0.01  -0.01  -0.01     0.00  -0.00   0.00
    48   6     0.07  -0.00   0.04     0.01   0.00   0.01     0.00   0.00   0.00
    49   6    -0.10  -0.05  -0.10    -0.02  -0.01  -0.02     0.00  -0.00   0.00
    50   6     0.03   0.10   0.10     0.00   0.02   0.02     0.00  -0.00  -0.00
    51   6     0.02  -0.07  -0.04     0.01  -0.01  -0.01    -0.00   0.00   0.00
    52   6     0.03   0.04   0.05     0.00   0.01   0.01     0.00  -0.00  -0.00
    53   6    -0.03  -0.10  -0.10    -0.00  -0.02  -0.01     0.00  -0.00   0.00
    54   6    -0.03   0.06   0.06     0.03  -0.04  -0.04    -0.00  -0.00   0.00
    55   6     0.00  -0.04  -0.03    -0.01   0.02   0.02    -0.00   0.00   0.00
    56   6    -0.04   0.02   0.04     0.04  -0.01  -0.03     0.00   0.00   0.00
    57   6     0.03  -0.06  -0.06    -0.03   0.04   0.05    -0.00   0.00   0.00
    58   6     0.01   0.09   0.05    -0.01  -0.08  -0.05    -0.00  -0.00   0.00
    59   6    -0.03  -0.05  -0.01     0.02   0.04   0.01     0.00  -0.00  -0.00
    60   6    -0.01   0.04   0.03     0.01  -0.04  -0.03    -0.00  -0.00  -0.00
    61   6    -0.01  -0.09  -0.05     0.01   0.08   0.04    -0.00  -0.00   0.00
    62   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    63  15     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    64   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    66   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    67   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    69   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03  -0.04  -0.01
    70   1    -0.04   0.14  -0.00    -0.06   0.14   0.00    -0.00  -0.00   0.00
    71   1     0.02  -0.11   0.02     0.06  -0.07   0.02     0.00   0.00  -0.00
    72   1    -0.11  -0.02   0.01    -0.04  -0.04   0.01     0.00   0.00  -0.00
    73   1     0.06   0.11   0.02     0.03   0.04   0.01    -0.00   0.00  -0.00
    74   1     0.10  -0.04   0.02     0.01  -0.02  -0.00     0.00  -0.00   0.00
    75   1    -0.04  -0.09  -0.04    -0.04  -0.04  -0.02     0.00  -0.00  -0.00
    76   1    -0.05   0.02   0.01     0.24  -0.03  -0.05     0.00  -0.00   0.00
    77   1     0.02   0.06  -0.03    -0.03  -0.21   0.10     0.00  -0.00  -0.00
    78   1     0.08  -0.01  -0.02    -0.36  -0.01   0.09    -0.00   0.00  -0.00
    79   1     0.05  -0.09   0.14     0.01  -0.01   0.02    -0.00  -0.00  -0.00
    80   1     0.06   0.03   0.02     0.01   0.01   0.00     0.00  -0.00   0.00
    81   1     0.06   0.04  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    82   1    -0.05   0.07  -0.12    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    83   1    -0.03  -0.11   0.10    -0.00  -0.01   0.01     0.00   0.00   0.00
    84   1     0.07   0.01   0.04     0.01   0.00   0.00     0.00  -0.00   0.00
    85   1     0.06   0.03   0.02     0.01   0.00   0.00    -0.00  -0.00   0.00
    86   1     0.03   0.13  -0.11     0.00   0.01  -0.01     0.00   0.00  -0.00
    87   1    -0.13  -0.08  -0.13    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    88   1    -0.06   0.06   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    89   1    -0.06   0.07   0.02    -0.01   0.01   0.01    -0.00  -0.00  -0.00
    90   1     0.11   0.06   0.11     0.02   0.01   0.02    -0.00   0.00  -0.00
    91   1    -0.03  -0.12  -0.12    -0.01  -0.02  -0.02    -0.00   0.00  -0.00
    92   1    -0.08   0.04  -0.02    -0.01   0.01  -0.00     0.00   0.00   0.00
    93   1    -0.07   0.05  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    94   1     0.04   0.14   0.13     0.01   0.02   0.02    -0.00   0.00  -0.00
    95   1     0.04  -0.09  -0.09    -0.02   0.06   0.06     0.00   0.00  -0.00
    96   1     0.05   0.02  -0.02    -0.03  -0.01   0.01     0.00  -0.00  -0.00
    97   1     0.05   0.04  -0.01    -0.04  -0.02   0.01    -0.00  -0.00  -0.00
    98   1    -0.04   0.07   0.08     0.02  -0.06  -0.05     0.00   0.00  -0.00
    99   1    -0.02  -0.10  -0.05     0.02   0.08   0.04     0.00   0.00  -0.00
   100   1     0.05   0.00  -0.03    -0.04   0.00   0.03    -0.00   0.00   0.00
   101   1     0.05   0.02  -0.02    -0.05  -0.01   0.02     0.00   0.00   0.00
   102   1     0.02   0.12   0.06    -0.02  -0.11  -0.05     0.00   0.00  -0.00
   103   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00   0.00
   104   1     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
   105   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.01   0.02
   106   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.00  -0.00
   107   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.01
   108   1    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.01  -0.01
   109   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
   110   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.14   0.61  -0.24
   111   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.34  -0.19  -0.25
   112   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.16   0.04   0.55
   113  17    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    292                    293                    294
                      A                      A                      A
 Frequencies --   3056.1932              3069.7650              3077.7018
 Red. masses --      1.0363                 1.0607                 1.0624
 Frc consts  --      5.7032                 5.8891                 5.9293
 IR Inten    --     11.5542                26.8585                38.3438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    42   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    43   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    44   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    49   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    52   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    53   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    58   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    61   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    62   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    63  15     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    65   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    66   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.05   0.05
    67   6    -0.03  -0.04  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.01
    68   6     0.00  -0.00  -0.00    -0.06   0.01  -0.04     0.00  -0.00   0.00
    69   6     0.00   0.00   0.00     0.01  -0.01   0.01    -0.00   0.00  -0.00
    70   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    71   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    75   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    76   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    77   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    78   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    79   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    80   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    82   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    83   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    84   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    85   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    86   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    87   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    89   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    90   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    91   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    92   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    93   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    94   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    95   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    96   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    97   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    99   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   100   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   101   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   102   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   103   1    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.47  -0.08  -0.06
   104   1    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.30   0.61  -0.53
   105   1    -0.05   0.22   0.63    -0.00   0.00   0.00    -0.01   0.02   0.06
   106   1     0.55  -0.10  -0.12     0.00  -0.00  -0.00    -0.03   0.01   0.00
   107   1    -0.17   0.32  -0.29    -0.00   0.00  -0.00     0.04  -0.07   0.06
   108   1    -0.00   0.00   0.00     0.40  -0.20  -0.31     0.00   0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.24   0.08   0.79    -0.00  -0.00  -0.00
   110   1     0.00  -0.02   0.01    -0.02   0.07  -0.03     0.00  -0.00   0.00
   111   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.00  -0.00  -0.00
   112   1    -0.01  -0.00  -0.02    -0.02  -0.01  -0.08     0.00   0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    295                    296                    297
                      A                      A                      A
 Frequencies --   3119.3701              3126.0882              3128.3277
 Red. masses --      1.1057                 1.1029                 1.1026
 Frc consts  --      6.3388                 6.3502                 6.3577
 IR Inten    --     12.7638                14.7338                26.3224
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    42   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    43   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    44   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    48   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    49   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    52   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    54   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    57   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    63  15     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    64   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    65   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6     0.00  -0.00  -0.00     0.02  -0.02   0.01     0.00  -0.00   0.00
    67   6    -0.00   0.00   0.00    -0.05   0.02   0.06    -0.00   0.00   0.00
    68   6    -0.04   0.03   0.07     0.00  -0.00  -0.00    -0.01   0.01   0.03
    69   6     0.00   0.01  -0.05    -0.00   0.00   0.00     0.04  -0.06   0.05
    70   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    71   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    72   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    75   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    76   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    77   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    78   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    80   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    82   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    84   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    87   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    89   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    90   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    91   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    93   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    94   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    95   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    96   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    97   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   100   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   101   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   102   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   103   1    -0.00   0.00   0.00    -0.22   0.03   0.03    -0.00   0.00   0.00
   104   1     0.00  -0.00   0.00    -0.07   0.15  -0.13    -0.00   0.00  -0.00
   105   1     0.00  -0.00  -0.00     0.04  -0.22  -0.61    -0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00     0.66  -0.11  -0.13     0.00  -0.00  -0.00
   107   1    -0.00   0.00  -0.00    -0.04   0.06  -0.04     0.00  -0.00   0.00
   108   1     0.57  -0.27  -0.41    -0.00   0.00   0.00     0.18  -0.08  -0.13
   109   1    -0.14  -0.04  -0.41     0.00   0.00   0.00    -0.09  -0.03  -0.27
   110   1     0.04  -0.20   0.06     0.00  -0.00   0.00    -0.13   0.62  -0.23
   111   1    -0.16   0.09   0.11     0.00  -0.00  -0.00    -0.21   0.10   0.17
   112   1     0.11   0.03   0.37    -0.00  -0.00  -0.00    -0.16  -0.06  -0.54
   113  17     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    298                    299                    300
                      A                      A                      A
 Frequencies --   3139.8264              3154.4379              3156.4506
 Red. masses --      1.1017                 1.1046                 1.1066
 Frc consts  --      6.3992                 6.4761                 6.4961
 IR Inten    --      5.0522                13.8840                18.9955
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    32   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    41   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    44   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    45   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    47   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    48   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    55   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    58   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    59   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    62   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    63  15    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    64   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    65   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.06   0.02  -0.00     0.00  -0.00   0.00    -0.05   0.03  -0.01
    67   6     0.02  -0.03   0.05     0.00  -0.00   0.00    -0.05   0.04  -0.03
    68   6     0.00  -0.00   0.00    -0.01   0.01   0.03    -0.00   0.00   0.00
    69   6     0.00  -0.00   0.00    -0.04   0.04   0.06    -0.00   0.00   0.00
    70   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    71   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    72   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    75   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    76   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    77   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    80   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    81   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    82   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    83   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    84   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    85   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    87   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    89   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    90   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    91   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    92   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    93   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    94   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    96   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    97   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    98   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    99   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   101   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   102   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   103   1     0.65  -0.10  -0.10    -0.00   0.00   0.00     0.52  -0.07  -0.08
   104   1     0.08  -0.19   0.16    -0.00   0.00  -0.00     0.11  -0.25   0.21
   105   1     0.03  -0.12  -0.31     0.00  -0.00  -0.00    -0.02   0.03   0.07
   106   1    -0.07   0.01   0.03    -0.00   0.00   0.00     0.42  -0.06  -0.10
   107   1    -0.22   0.43  -0.37    -0.00   0.00  -0.00     0.22  -0.44   0.39
   108   1     0.00  -0.00  -0.00     0.22  -0.10  -0.16     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00    -0.06  -0.02  -0.17    -0.00  -0.00  -0.00
   110   1    -0.00   0.00  -0.00     0.03  -0.18   0.08     0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00     0.61  -0.32  -0.43     0.00  -0.00  -0.00
   112   1    -0.00  -0.00  -0.00    -0.13  -0.03  -0.40    -0.00  -0.00  -0.00
   113  17     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    301                    302                    303
                      A                      A                      A
 Frequencies --   3180.1872              3181.0373              3181.1688
 Red. masses --      1.0855                 1.0855                 1.0856
 Frc consts  --      6.4681                 6.4714                 6.4730
 IR Inten    --      0.1413                 0.0652                 0.4051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   7    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    34   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    36   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.00   0.00   0.00
    39   6     0.00  -0.00   0.00     0.03  -0.01   0.03    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00     0.01   0.03  -0.03    -0.00  -0.00   0.00
    41   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    42   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   6     0.00  -0.00   0.00    -0.00   0.01  -0.02     0.00  -0.00   0.00
    44   6     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00     0.03   0.01   0.01    -0.00  -0.00  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.03  -0.01
    47   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.00  -0.01
    48   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    49   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.01   0.02
    52   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.03  -0.02
    53   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.01
    54   6    -0.03  -0.02   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6     0.03  -0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6     0.00   0.03   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    57   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.01   0.02   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.02  -0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6     0.03   0.00  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    64   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    65   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    67   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    68   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    70   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    71   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    73   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    74   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    75   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    76   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    79   1     0.00   0.00   0.00     0.38   0.26   0.03    -0.01  -0.01  -0.00
    80   1    -0.00   0.00  -0.00    -0.32   0.09  -0.35     0.01  -0.00   0.01
    81   1    -0.00  -0.00   0.00    -0.07  -0.34   0.32     0.00   0.01  -0.01
    82   1     0.00   0.00   0.00     0.11   0.07   0.00    -0.00  -0.00  -0.00
    83   1     0.00   0.00   0.00    -0.05  -0.01  -0.03     0.00   0.00   0.00
    84   1    -0.00   0.00  -0.00     0.06  -0.13   0.19    -0.00   0.01  -0.01
    85   1    -0.00  -0.00   0.00     0.19   0.25  -0.10    -0.01  -0.01   0.00
    86   1     0.00   0.00   0.00    -0.31  -0.07  -0.17     0.01   0.00   0.01
    87   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.26   0.30   0.09
    88   1    -0.00   0.00  -0.00     0.02  -0.00   0.01     0.31  -0.01   0.16
    89   1     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.06  -0.17  -0.17
    90   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05   0.02
    91   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.08  -0.04   0.02
    92   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.22  -0.15  -0.25
    93   1     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.12   0.40   0.24
    94   1     0.00  -0.00   0.00     0.02  -0.01   0.00     0.46  -0.22   0.08
    95   1     0.40   0.29  -0.09     0.00   0.00  -0.00     0.00   0.00  -0.00
    96   1    -0.33   0.14   0.31    -0.00   0.00   0.00    -0.00   0.00   0.00
    97   1    -0.04  -0.35  -0.20    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    98   1     0.09   0.07  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.06  -0.01   0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
   100   1     0.08  -0.18  -0.17    -0.00   0.00   0.00    -0.00   0.00   0.00
   101   1     0.19   0.28   0.05    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1    -0.33  -0.05   0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
   103   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   104   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   107   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   111   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   112   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   113  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    304                    305                    306
                      A                      A                      A
 Frequencies --   3181.2530              3181.9736              3182.3093
 Red. masses --      1.0854                 1.0855                 1.0855
 Frc consts  --      6.4722                 6.4755                 6.4772
 IR Inten    --      1.4260                 0.5421                 1.3249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    34   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00     0.00   0.00   0.00
    39   6     0.00  -0.00   0.00     0.02  -0.00   0.02    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00     0.00   0.02  -0.02    -0.00  -0.00   0.00
    41   6     0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    42   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    43   6    -0.00   0.00  -0.00     0.01  -0.02   0.03    -0.00   0.00  -0.00
    44   6    -0.00  -0.00   0.00     0.03   0.03  -0.01    -0.00  -0.00   0.00
    45   6     0.00   0.00   0.00    -0.04  -0.01  -0.02     0.00   0.00   0.00
    46   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.01
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.00  -0.02
    48   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.02
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    50   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.02
    52   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.03   0.02
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    54   6     0.02   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    55   6    -0.02   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    59   6    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.02  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6     0.03   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    62   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    63  15    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    65   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    67   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    68   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    69   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    70   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    71   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    73   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
    75   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    76   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    77   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    78   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   1     0.00   0.00   0.00     0.20   0.14   0.02    -0.01  -0.01  -0.00
    80   1    -0.00   0.00  -0.00    -0.22   0.06  -0.23     0.01  -0.00   0.01
    81   1    -0.00  -0.00   0.00    -0.05  -0.26   0.24     0.00   0.01  -0.01
    82   1    -0.00  -0.00  -0.00     0.08   0.06   0.00    -0.00  -0.00  -0.00
    83   1    -0.00  -0.00  -0.00     0.09   0.02   0.06    -0.00  -0.00  -0.00
    84   1     0.00  -0.00   0.00    -0.11   0.23  -0.34     0.00  -0.01   0.01
    85   1     0.00   0.00  -0.00    -0.30  -0.39   0.16     0.01   0.01  -0.01
    86   1    -0.00  -0.00  -0.00     0.41   0.10   0.23    -0.01  -0.00  -0.01
    87   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.31   0.35   0.10
    88   1     0.00  -0.00   0.00     0.02  -0.00   0.01     0.44  -0.02   0.22
    89   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.10  -0.27  -0.27
    90   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.07   0.08   0.03
    91   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.07   0.03  -0.02
    92   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.20   0.13   0.22
    93   1    -0.00   0.00   0.00     0.00  -0.01  -0.01     0.10  -0.31  -0.19
    94   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.29   0.14  -0.05
    95   1    -0.23  -0.17   0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
    96   1     0.24  -0.11  -0.23     0.00  -0.00  -0.00    -0.00   0.00   0.00
    97   1     0.04   0.30   0.17     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.08  -0.06   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    99   1    -0.10  -0.01   0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
   100   1     0.12  -0.29  -0.28     0.00  -0.00  -0.00    -0.00   0.00   0.00
   101   1     0.27   0.41   0.08     0.00   0.00   0.00    -0.00  -0.00  -0.00
   102   1    -0.40  -0.06   0.23    -0.00  -0.00   0.00     0.00   0.00  -0.00
   103   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   104   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   105   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   106   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   107   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   108   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   109   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   110   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   112   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   113  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    307                    308                    309
                      A                      A                      A
 Frequencies --   3188.5838              3189.3118              3190.0338
 Red. masses --      1.0897                 1.0898                 1.0898
 Frc consts  --      6.5276                 6.5314                 6.5343
 IR Inten    --     11.4365                11.2453                 9.5100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    16   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   7     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    25   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    34   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    35   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00    -0.04  -0.03  -0.00     0.00   0.00   0.00
    39   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00    -0.01  -0.04   0.03     0.00   0.00  -0.00
    41   6    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    42   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    43   6    -0.00   0.00  -0.00     0.01  -0.02   0.02    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.02   0.00   0.01    -0.00  -0.00  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    48   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.03
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    50   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.02  -0.03
    52   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.01
    54   6    -0.04  -0.03   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    56   6    -0.01  -0.04  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    58   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    59   6     0.01  -0.03  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    60   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    61   6     0.03   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    62   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    63  15    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    64   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    65   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    66   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    67   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    68   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    69   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    70   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    71   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    72   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.02  -0.00
    73   1    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    74   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    75   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    76   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   1    -0.00  -0.00  -0.00     0.51   0.36   0.04    -0.01  -0.01  -0.00
    80   1    -0.00   0.00  -0.00    -0.04   0.01  -0.04    -0.00   0.00  -0.00
    81   1    -0.00  -0.00   0.00     0.09   0.42  -0.39    -0.00  -0.01   0.01
    82   1     0.00   0.00  -0.00    -0.16  -0.11  -0.01     0.00   0.00   0.00
    83   1    -0.00  -0.00  -0.00     0.09   0.02   0.06    -0.00  -0.00  -0.00
    84   1     0.00  -0.00   0.00    -0.09   0.19  -0.28     0.00  -0.01   0.01
    85   1    -0.00  -0.00   0.00    -0.04  -0.06   0.02     0.00   0.00  -0.00
    86   1     0.00   0.00   0.00    -0.24  -0.05  -0.13     0.01   0.00   0.01
    87   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.25   0.28   0.08
    88   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.00  -0.04
    89   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.12   0.33   0.32
    90   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.09  -0.11  -0.04
    91   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.15   0.07  -0.03
    92   1    -0.00  -0.00  -0.00     0.01   0.00   0.01     0.34   0.23   0.38
    93   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.06  -0.04
    94   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.44  -0.20   0.08
    95   1     0.44   0.31  -0.10     0.00   0.00  -0.00     0.01   0.01  -0.00
    96   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    97   1     0.06   0.50   0.29     0.00   0.00   0.00     0.00   0.01   0.01
    98   1    -0.16  -0.12   0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    99   1     0.12   0.02  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
   100   1    -0.12   0.29   0.28    -0.00   0.00   0.00     0.00  -0.01  -0.01
   101   1    -0.04  -0.06  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1    -0.30  -0.04   0.17    -0.00  -0.00   0.00     0.01   0.00  -0.01
   103   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   104   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   106   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   107   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   108   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   110   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   112   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   113  17     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                    310                    311                    312
                      A                      A                      A
 Frequencies --   3190.1587              3191.0964              3191.4458
 Red. masses --      1.0899                 1.0900                 1.0901
 Frc consts  --      6.5355                 6.5397                 6.5415
 IR Inten    --      6.1946                 7.3229                 7.6622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    24   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    27   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    39   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.02   0.02    -0.00  -0.00   0.00
    41   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    42   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    43   6    -0.00  -0.00  -0.00    -0.01   0.03  -0.04    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00    -0.04  -0.01  -0.02    -0.00  -0.00  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.03   0.01
    47   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.03   0.03
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.03
    52   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02  -0.01
    54   6    -0.03  -0.02   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    56   6    -0.00  -0.03  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    57   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.01   0.03   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.04  -0.01   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    62   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    64   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    65   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    68   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    69   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    70   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    71   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    73   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    74   1    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    75   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    76   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    77   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    78   1     0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    79   1     0.00   0.00   0.00     0.28   0.19   0.02     0.02   0.01   0.00
    80   1    -0.00   0.00  -0.00    -0.06   0.01  -0.06    -0.00   0.00  -0.00
    81   1     0.00   0.00  -0.00     0.04   0.21  -0.19     0.00   0.01  -0.01
    82   1    -0.00  -0.00  -0.00    -0.08  -0.06  -0.00    -0.01  -0.00  -0.00
    83   1    -0.00  -0.00  -0.00    -0.17  -0.04  -0.10    -0.00  -0.00  -0.00
    84   1     0.00  -0.00   0.00     0.16  -0.34   0.49     0.00  -0.01   0.02
    85   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    86   1     0.00   0.00   0.00     0.51   0.12   0.28     0.02   0.00   0.01
    87   1     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.33  -0.38  -0.11
    88   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    89   1    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.14  -0.37  -0.37
    90   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.11   0.13   0.04
    91   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.12   0.05  -0.03
    92   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01     0.27   0.18   0.30
    93   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.01   0.01
    94   1    -0.01   0.00  -0.00    -0.02   0.01  -0.00     0.39  -0.18   0.07
    95   1     0.32   0.23  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    96   1    -0.04   0.01   0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    97   1     0.04   0.32   0.18    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    98   1    -0.11  -0.08   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.16  -0.02   0.10     0.00   0.00  -0.00     0.00   0.00  -0.00
   100   1     0.17  -0.40  -0.37    -0.00   0.00   0.00    -0.00   0.00   0.00
   101   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1     0.48   0.07  -0.28    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   103   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   104   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   105   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   106   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   107   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   108   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   109   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   112   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   113  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                    313                    314                    315
                      A                      A                      A
 Frequencies --   3203.4607              3204.2190              3204.3771
 Red. masses --      1.0944                 1.0947                 1.0947
 Frc consts  --      6.6173                 6.6218                 6.6229
 IR Inten    --     30.8988                64.8918                18.3873
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    37   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.01  -0.04
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    41   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
    43   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.02
    44   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.03  -0.01
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
    46   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    48   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    52   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    53   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6    -0.03  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    55   6    -0.04   0.02   0.04    -0.02   0.01   0.02     0.00  -0.00  -0.00
    56   6     0.00   0.02   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    57   6    -0.03  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    58   6     0.01   0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.00
    59   6    -0.00   0.01   0.01     0.01  -0.02  -0.02    -0.00   0.00   0.00
    60   6     0.01   0.02   0.00    -0.03  -0.05  -0.01     0.00   0.00   0.00
    61   6     0.01   0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    64   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    67   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    70   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    71   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    72   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.02   0.01
    74   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.04  -0.01
    75   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    76   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    77   1     0.07  -0.04   0.01     0.03  -0.02   0.00    -0.00   0.00  -0.00
    78   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.00  -0.00   0.00
    79   1     0.00   0.00   0.00     0.01   0.01   0.00     0.27   0.19   0.02
    80   1     0.00  -0.00   0.00     0.02  -0.00   0.02     0.40  -0.11   0.43
    81   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.03  -0.15   0.14
    82   1     0.00   0.00   0.00     0.01   0.01   0.00     0.25   0.17   0.01
    83   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.19  -0.04  -0.11
    84   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.06  -0.11   0.17
    85   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.27  -0.35   0.15
    86   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.21  -0.05  -0.12
    87   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.03   0.01
    88   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.00  -0.03
    89   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.02
    90   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
    91   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.02  -0.01   0.00
    92   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01
    93   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.01  -0.03  -0.02
    94   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
    95   1     0.31   0.22  -0.07     0.15   0.11  -0.03    -0.00  -0.00   0.00
    96   1     0.48  -0.21  -0.46     0.19  -0.08  -0.18    -0.00   0.00   0.00
    97   1    -0.03  -0.21  -0.12    -0.01  -0.07  -0.04     0.00   0.00   0.00
    98   1     0.31   0.22  -0.06     0.14   0.10  -0.03    -0.00  -0.00   0.00
    99   1    -0.12  -0.02   0.07     0.30   0.04  -0.18    -0.00  -0.00   0.00
   100   1     0.04  -0.09  -0.09    -0.08   0.19   0.18     0.00  -0.00  -0.00
   101   1    -0.17  -0.25  -0.05     0.38   0.57   0.11    -0.01  -0.01  -0.00
   102   1    -0.12  -0.02   0.07     0.34   0.05  -0.20    -0.00  -0.00   0.00
   103   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   104   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   105   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   107   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   109   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   112   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   113  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    316                    317                    318
                      A                      A                      A
 Frequencies --   3204.6338              3204.9198              3205.2152
 Red. masses --      1.0949                 1.0948                 1.0949
 Frc consts  --      6.6251                 6.6256                 6.6274
 IR Inten    --     22.6101                50.5642                69.2680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   7     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    39   6    -0.00   0.00  -0.00    -0.03   0.01  -0.03    -0.01   0.00  -0.01
    40   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    41   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.00  -0.00
    42   6     0.00   0.00   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00     0.01  -0.01   0.02     0.00  -0.00   0.00
    44   6     0.00   0.01  -0.00    -0.03  -0.04   0.02    -0.01  -0.01   0.00
    45   6     0.00   0.00   0.00    -0.03  -0.00  -0.02    -0.01  -0.00  -0.00
    46   6    -0.01   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.02   0.01
    47   6    -0.04   0.00  -0.02     0.01  -0.00   0.01    -0.05   0.00  -0.02
    48   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.02  -0.01
    49   6    -0.01   0.01   0.00     0.00  -0.00  -0.00    -0.01   0.02   0.01
    50   6     0.02  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.01  -0.00
    51   6    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00     0.01   0.01   0.01
    52   6     0.01  -0.05  -0.03     0.00  -0.01  -0.01    -0.01   0.03   0.02
    53   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.02   0.01  -0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    58   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    59   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    62   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    63  15    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    64   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    65   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    70   1     0.03   0.01  -0.00    -0.01  -0.01   0.00     0.04   0.01  -0.01
    71   1    -0.02  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.01  -0.00
    72   1     0.01   0.07  -0.01     0.00   0.02  -0.00    -0.01  -0.05   0.01
    73   1    -0.01   0.00  -0.00     0.02  -0.02   0.00    -0.00   0.00  -0.00
    74   1    -0.00  -0.01  -0.00     0.00   0.04   0.01     0.00   0.01   0.00
    75   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    76   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   1     0.01   0.01   0.00     0.23   0.16   0.02     0.08   0.06   0.01
    80   1     0.02  -0.01   0.03     0.29  -0.08   0.32     0.10  -0.03   0.11
    81   1    -0.00  -0.01   0.01    -0.02  -0.10   0.09    -0.01  -0.04   0.03
    82   1     0.01   0.01   0.00     0.19   0.13   0.01     0.06   0.04   0.00
    83   1    -0.03  -0.01  -0.02     0.23   0.05   0.14     0.06   0.01   0.03
    84   1     0.01  -0.02   0.03    -0.06   0.13  -0.19    -0.01   0.03  -0.04
    85   1    -0.05  -0.06   0.03     0.33   0.43  -0.18     0.08   0.10  -0.04
    86   1    -0.04  -0.01  -0.02     0.29   0.07   0.16     0.07   0.02   0.04
    87   1     0.14  -0.17  -0.05    -0.05   0.06   0.02     0.21  -0.25  -0.07
    88   1     0.41  -0.01   0.21    -0.12   0.00  -0.06     0.52  -0.02   0.27
    89   1     0.05   0.14   0.14    -0.01  -0.04  -0.04     0.06   0.17   0.17
    90   1     0.13  -0.15  -0.05    -0.04   0.05   0.02     0.17  -0.20  -0.07
    91   1    -0.23   0.11  -0.05    -0.06   0.03  -0.01     0.16  -0.08   0.04
    92   1     0.18   0.11   0.19     0.04   0.03   0.05    -0.11  -0.07  -0.12
    93   1    -0.16   0.50   0.31    -0.04   0.13   0.08     0.11  -0.35  -0.21
    94   1    -0.29   0.13  -0.05    -0.08   0.04  -0.02     0.23  -0.11   0.04
    95   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
    96   1     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    97   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    98   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
    99   1     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.01
   100   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
   101   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.00
   102   1     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.01
   103   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   104   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   110   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   111   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   112   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   113  17     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    319                    320                    321
                      A                      A                      A
 Frequencies --   3212.0524              3213.0769              3214.2738
 Red. masses --      1.0934                 1.0900                 1.0946
 Frc consts  --      6.6468                 6.6300                 6.6633
 IR Inten    --      8.9294                 4.9121                14.6691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.03   0.02  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.07   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.05   0.03  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    39   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    40   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.02
    41   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.06  -0.04  -0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    47   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    50   6     0.00  -0.00   0.00     0.02  -0.01   0.00    -0.00   0.00  -0.00
    51   6    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    52   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    55   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.02  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.04  -0.03   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    58   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    59   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63  15     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    64   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    67   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    70   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.09  -0.03   0.01
    71   1     0.00   0.00  -0.00    -0.40  -0.17   0.05    -0.02  -0.01   0.00
    72   1    -0.00  -0.00   0.00     0.09   0.80  -0.11     0.00   0.03  -0.00
    73   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.13  -0.09   0.02
    74   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.20  -0.05
    75   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02  -0.00
    76   1    -0.00   0.06  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
    77   1     0.60  -0.39   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    79   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.09  -0.06  -0.01
    80   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.15   0.04  -0.17
    81   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.05   0.26  -0.24
    82   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00     0.65   0.44   0.03
    83   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.22  -0.05  -0.13
    84   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.07  -0.10
    85   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04   0.05  -0.02
    86   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
    87   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    88   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.00   0.02
    89   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01     0.01   0.03   0.03
    90   1     0.00  -0.00  -0.00     0.03  -0.03  -0.01    -0.06   0.07   0.02
    91   1    -0.00   0.00  -0.00    -0.26   0.12  -0.06     0.00  -0.00   0.00
    92   1     0.00   0.00   0.00    -0.11  -0.07  -0.12    -0.00  -0.00  -0.00
    93   1    -0.00   0.00   0.00     0.03  -0.10  -0.06     0.00  -0.00  -0.00
    94   1    -0.00   0.00  -0.00     0.05  -0.02   0.01     0.00  -0.00   0.00
    95   1    -0.08  -0.06   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    96   1    -0.16   0.07   0.15     0.00  -0.00  -0.00    -0.00   0.00   0.00
    97   1     0.03   0.27   0.16    -0.00  -0.00  -0.00     0.00   0.00   0.00
    98   1     0.44   0.31  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
    99   1    -0.07  -0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00   0.00
   100   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
   101   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   102   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   103   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   104   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   105   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   106   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   107   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   112   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   113  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    322                    323                    324
                      A                      A                      A
 Frequencies --   3214.8770              3215.1050              3215.2379
 Red. masses --      1.0935                 1.0938                 1.0943
 Frc consts  --      6.6590                 6.6614                 6.6653
 IR Inten    --     14.6030                 6.9979                 2.4066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00
    14   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.04   0.03  -0.00     0.00  -0.00   0.00     0.03  -0.02   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    23   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    25   7     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    34   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    35   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    39   6     0.00  -0.00   0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    41   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    42   6    -0.00  -0.00  -0.00    -0.05  -0.01  -0.03    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    45   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    48   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    56   6     0.00   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    57   6     0.03   0.02  -0.01    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    58   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.05  -0.01   0.03
    59   6    -0.01   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.02   0.02
    60   6     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    61   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    62   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    63  15     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    64   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    65   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    67   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    70   1    -0.00  -0.00   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
    71   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    72   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   1     0.00  -0.00   0.00     0.05  -0.04   0.01     0.00  -0.00   0.00
    74   1     0.00   0.02   0.01     0.02   0.59   0.14     0.00   0.01   0.00
    75   1     0.00  -0.00   0.00     0.08  -0.06   0.00     0.00  -0.00   0.00
    76   1    -0.00   0.05  -0.02     0.00  -0.00   0.00     0.00  -0.03   0.01
    77   1     0.47  -0.31   0.04    -0.01   0.01  -0.00    -0.31   0.20  -0.02
    78   1    -0.00   0.07  -0.03     0.00  -0.00   0.00    -0.00   0.06  -0.03
    79   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00
    80   1    -0.00   0.00  -0.00    -0.06   0.02  -0.06    -0.00   0.00  -0.00
    81   1     0.00   0.00  -0.00     0.02   0.10  -0.09     0.00   0.00  -0.00
    82   1     0.01   0.01   0.00     0.24   0.17   0.01     0.00   0.00   0.00
    83   1     0.02   0.00   0.01     0.52   0.12   0.30     0.01   0.00   0.01
    84   1     0.00  -0.01   0.01     0.07  -0.16   0.23     0.00  -0.00   0.00
    85   1    -0.00  -0.00   0.00    -0.10  -0.13   0.05    -0.00  -0.00   0.00
    86   1    -0.00  -0.00  -0.00    -0.07  -0.02  -0.04    -0.00  -0.00  -0.00
    87   1     0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    88   1     0.00  -0.00   0.00     0.02  -0.00   0.01    -0.00  -0.00  -0.00
    89   1     0.00   0.00   0.00     0.01   0.02   0.02     0.00   0.00   0.00
    90   1    -0.00   0.00   0.00    -0.03   0.04   0.01    -0.00   0.00   0.00
    91   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    92   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    93   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    94   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    95   1     0.03   0.03  -0.01    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    96   1     0.07  -0.03  -0.07    -0.00   0.00   0.00    -0.08   0.03   0.08
    97   1    -0.02  -0.17  -0.10     0.00   0.00   0.00     0.02   0.17   0.10
    98   1    -0.38  -0.27   0.07     0.01   0.00  -0.00     0.36   0.26  -0.07
    99   1     0.47   0.07  -0.28    -0.03  -0.00   0.02     0.58   0.08  -0.34
   100   1     0.07  -0.17  -0.16    -0.00   0.01   0.01     0.09  -0.21  -0.20
   101   1    -0.08  -0.11  -0.02     0.00   0.01   0.00    -0.10  -0.15  -0.03
   102   1    -0.05  -0.01   0.03     0.00   0.00  -0.00    -0.07  -0.01   0.04
   103   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   104   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   105   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   112   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   113  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    325                    326                    327
                      A                      A                      A
 Frequencies --   3216.6067              3218.0278              3218.6235
 Red. masses --      1.0942                 1.0923                 1.0934
 Frc consts  --      6.6704                 6.6649                 6.6739
 IR Inten    --     11.6206                 3.7667                 4.3004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.02   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.01  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.02   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.06  -0.02     0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    25   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    39   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    40   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    41   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    42   6     0.00   0.00   0.00     0.04   0.01   0.03    -0.00  -0.00  -0.00
    43   6     0.00  -0.00   0.00     0.00  -0.01   0.02    -0.00   0.00  -0.00
    44   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6    -0.02   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6    -0.01  -0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    49   6     0.05  -0.05  -0.02     0.00  -0.00  -0.00    -0.01   0.01   0.00
    50   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.03  -0.01
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.02
    52   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    62   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    63  15    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    64   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    65   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    67   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    69   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    70   1    -0.26  -0.10   0.04     0.00   0.00  -0.00     0.02   0.01  -0.00
    71   1    -0.06  -0.02   0.01    -0.00  -0.00   0.00    -0.22  -0.09   0.03
    72   1     0.01   0.06  -0.01     0.00   0.00  -0.00     0.03   0.26  -0.03
    73   1     0.08  -0.06   0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
    74   1    -0.00  -0.02  -0.00     0.03   0.73   0.17    -0.00  -0.02  -0.00
    75   1    -0.00   0.00  -0.00     0.11  -0.08   0.01    -0.00   0.00  -0.00
    76   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    77   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    79   1     0.01   0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    80   1     0.02  -0.01   0.02     0.01  -0.00   0.01    -0.00   0.00  -0.00
    81   1    -0.01  -0.05   0.04    -0.00  -0.01   0.01     0.00   0.00  -0.00
    82   1    -0.13  -0.09  -0.01    -0.03  -0.02  -0.00     0.01   0.00   0.00
    83   1    -0.00  -0.00  -0.00    -0.50  -0.12  -0.30     0.01   0.00   0.01
    84   1    -0.00   0.00  -0.00    -0.05   0.12  -0.17     0.00  -0.00   0.00
    85   1     0.00   0.00  -0.00     0.06   0.08  -0.03    -0.00  -0.00   0.00
    86   1     0.00   0.00   0.00     0.04   0.01   0.02    -0.00  -0.00  -0.00
    87   1     0.05  -0.06  -0.02     0.00  -0.00  -0.00    -0.01   0.01   0.00
    88   1     0.17  -0.01   0.09     0.00  -0.00   0.00    -0.03   0.00  -0.01
    89   1     0.09   0.25   0.24     0.00   0.00   0.00    -0.01  -0.04  -0.03
    90   1    -0.52   0.60   0.20    -0.00   0.00   0.00     0.08  -0.09  -0.03
    91   1     0.09  -0.05   0.02     0.02  -0.01   0.00     0.75  -0.36   0.16
    92   1     0.02   0.02   0.03     0.00   0.00   0.01     0.19   0.13   0.21
    93   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.12   0.07
    94   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.06   0.03  -0.01
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    96   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    97   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    98   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   100   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   101   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   102   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   103   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   104   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   106   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   108   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   112   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   113  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    328                    329                    330
                      A                      A                      A
 Frequencies --   3222.8974              3228.6283              3229.3532
 Red. masses --      1.0916                 1.0921                 1.0944
 Frc consts  --      6.6803                 6.7071                 6.7248
 IR Inten    --      1.0783                 1.9285                 2.9093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.06  -0.02   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.07  -0.03   0.01
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.04   0.01
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.03   0.01    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   6    -0.00  -0.00   0.00     0.00  -0.08   0.04     0.00  -0.00   0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    27   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    39   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    40   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    41   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    42   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    43   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    44   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    49   6     0.02  -0.02  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    51   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    52   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    54   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    55   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    60   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    62   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63  15    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    64   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    65   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    68   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    69   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    70   1     0.67   0.27  -0.11     0.00   0.00  -0.00     0.01   0.00  -0.00
    71   1     0.04   0.02  -0.00    -0.01  -0.00   0.00     0.79   0.32  -0.10
    72   1     0.01   0.05  -0.01    -0.00  -0.00   0.00     0.05   0.48  -0.06
    73   1    -0.46   0.33  -0.09     0.00  -0.00   0.00     0.09  -0.07   0.02
    74   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    75   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    76   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    77   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    78   1     0.00   0.00  -0.00    -0.02   0.90  -0.42    -0.00   0.01  -0.00
    79   1    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1     0.00   0.02  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    82   1     0.11   0.08   0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    83   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    84   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    87   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1     0.03  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    89   1     0.02   0.06   0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
    90   1    -0.19   0.22   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
    91   1     0.02  -0.01   0.00    -0.00   0.00  -0.00     0.08  -0.04   0.02
    92   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    93   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    94   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    95   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    96   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    97   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.00  -0.00   0.00    -0.09  -0.01   0.05     0.00   0.00  -0.00
   100   1    -0.00   0.00   0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
   101   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   102   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   103   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   104   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   105   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   106   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   107   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   112   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   113  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    331                    332                    333
                      A                      A                      A
 Frequencies --   3233.3711              3256.7976              3283.7636
 Red. masses --      1.0894                 1.0917                 1.0909
 Frc consts  --      6.7105                 6.8227                 6.9306
 IR Inten    --      5.3420                 0.4807                 1.4674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.05  -0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.05   0.04  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.07   0.05  -0.00     0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.08   0.03
    20   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    39   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    41   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    43   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    50   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    52   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    57   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    58   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    60   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    62   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63  15     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    64   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    65   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    66   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    67   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    69   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    70   1     0.55   0.22  -0.09    -0.01  -0.00   0.00     0.00   0.00  -0.00
    71   1    -0.08  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    72   1    -0.00  -0.03   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   1     0.63  -0.45   0.12    -0.02   0.02  -0.00     0.00  -0.00   0.00
    74   1    -0.00  -0.01  -0.00    -0.01  -0.16  -0.04     0.00   0.00   0.00
    75   1     0.02  -0.01   0.00     0.80  -0.56   0.05    -0.00   0.00  -0.00
    76   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.91  -0.39
    77   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.05  -0.00
    78   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    79   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    80   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    81   1    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    82   1    -0.08  -0.05  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    83   1     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    84   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    85   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    86   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    87   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    88   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    89   1     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    90   1    -0.05   0.06   0.02     0.00  -0.00   0.00     0.00  -0.00  -0.00
    91   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    93   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    94   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    95   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    96   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    97   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    98   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    99   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   100   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   101   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   102   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   103   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   104   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   105   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   106   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   107   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   108   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   110   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   112   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   113  17    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  7 and mass  14.00307
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  7 and mass  14.00307
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  7 and mass  14.00307
 Atom    24 has atomic number  7 and mass  14.00307
 Atom    25 has atomic number  7 and mass  14.00307
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  6 and mass  12.00000
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  6 and mass  12.00000
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  6 and mass  12.00000
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  6 and mass  12.00000
 Atom    40 has atomic number  6 and mass  12.00000
 Atom    41 has atomic number  6 and mass  12.00000
 Atom    42 has atomic number  6 and mass  12.00000
 Atom    43 has atomic number  6 and mass  12.00000
 Atom    44 has atomic number  6 and mass  12.00000
 Atom    45 has atomic number  6 and mass  12.00000
 Atom    46 has atomic number  6 and mass  12.00000
 Atom    47 has atomic number  6 and mass  12.00000
 Atom    48 has atomic number  6 and mass  12.00000
 Atom    49 has atomic number  6 and mass  12.00000
 Atom    50 has atomic number  6 and mass  12.00000
 Atom    51 has atomic number  6 and mass  12.00000
 Atom    52 has atomic number  6 and mass  12.00000
 Atom    53 has atomic number  6 and mass  12.00000
 Atom    54 has atomic number  6 and mass  12.00000
 Atom    55 has atomic number  6 and mass  12.00000
 Atom    56 has atomic number  6 and mass  12.00000
 Atom    57 has atomic number  6 and mass  12.00000
 Atom    58 has atomic number  6 and mass  12.00000
 Atom    59 has atomic number  6 and mass  12.00000
 Atom    60 has atomic number  6 and mass  12.00000
 Atom    61 has atomic number  6 and mass  12.00000
 Atom    62 has atomic number  8 and mass  15.99491
 Atom    63 has atomic number 15 and mass  30.97376
 Atom    64 has atomic number  8 and mass  15.99491
 Atom    65 has atomic number  8 and mass  15.99491
 Atom    66 has atomic number  6 and mass  12.00000
 Atom    67 has atomic number  6 and mass  12.00000
 Atom    68 has atomic number  6 and mass  12.00000
 Atom    69 has atomic number  6 and mass  12.00000
 Atom    70 has atomic number  1 and mass   1.00783
 Atom    71 has atomic number  1 and mass   1.00783
 Atom    72 has atomic number  1 and mass   1.00783
 Atom    73 has atomic number  1 and mass   1.00783
 Atom    74 has atomic number  1 and mass   1.00783
 Atom    75 has atomic number  1 and mass   1.00783
 Atom    76 has atomic number  1 and mass   1.00783
 Atom    77 has atomic number  1 and mass   1.00783
 Atom    78 has atomic number  1 and mass   1.00783
 Atom    79 has atomic number  1 and mass   1.00783
 Atom    80 has atomic number  1 and mass   1.00783
 Atom    81 has atomic number  1 and mass   1.00783
 Atom    82 has atomic number  1 and mass   1.00783
 Atom    83 has atomic number  1 and mass   1.00783
 Atom    84 has atomic number  1 and mass   1.00783
 Atom    85 has atomic number  1 and mass   1.00783
 Atom    86 has atomic number  1 and mass   1.00783
 Atom    87 has atomic number  1 and mass   1.00783
 Atom    88 has atomic number  1 and mass   1.00783
 Atom    89 has atomic number  1 and mass   1.00783
 Atom    90 has atomic number  1 and mass   1.00783
 Atom    91 has atomic number  1 and mass   1.00783
 Atom    92 has atomic number  1 and mass   1.00783
 Atom    93 has atomic number  1 and mass   1.00783
 Atom    94 has atomic number  1 and mass   1.00783
 Atom    95 has atomic number  1 and mass   1.00783
 Atom    96 has atomic number  1 and mass   1.00783
 Atom    97 has atomic number  1 and mass   1.00783
 Atom    98 has atomic number  1 and mass   1.00783
 Atom    99 has atomic number  1 and mass   1.00783
 Atom   100 has atomic number  1 and mass   1.00783
 Atom   101 has atomic number  1 and mass   1.00783
 Atom   102 has atomic number  1 and mass   1.00783
 Atom   103 has atomic number  1 and mass   1.00783
 Atom   104 has atomic number  1 and mass   1.00783
 Atom   105 has atomic number  1 and mass   1.00783
 Atom   106 has atomic number  1 and mass   1.00783
 Atom   107 has atomic number  1 and mass   1.00783
 Atom   108 has atomic number  1 and mass   1.00783
 Atom   109 has atomic number  1 and mass   1.00783
 Atom   110 has atomic number  1 and mass   1.00783
 Atom   111 has atomic number  1 and mass   1.00783
 Atom   112 has atomic number  1 and mass   1.00783
 Atom   113 has atomic number 17 and mass  34.96885
 Molecular mass:   947.27921 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  ******************************
           X            1.00000  -0.00084   0.00241
           Y            0.00084   1.00000  -0.00101
           Z           -0.00241   0.00102   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00169     0.00087     0.00069
 Rotational constants (GHZ):           0.03512     0.01817     0.01429
 Zero-point vibrational energy    2324468.5 (Joules/Mol)
                                  555.56130 (Kcal/Mol)
 Warning -- explicit consideration of  95 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.88    17.17    19.60    22.93    25.99
          (Kelvin)             28.99    35.55    36.83    45.46    55.45
                               59.32    66.32    71.17    82.63    86.33
                              107.15   119.56   122.86   134.93   138.46
                              151.89   152.06   162.48   166.40   168.59
                              173.47   192.14   205.93   215.77   218.47
                              221.78   223.13   227.19   242.66   250.19
                              268.40   276.15   296.49   308.27   327.13
                              337.26   352.87   362.38   369.60   380.19
                              394.22   408.59   410.44   423.68   424.40
                              424.70   426.71   444.17   450.60   480.46
                              504.09   512.61   533.94   544.49   563.84
                              572.53   595.74   615.99   620.53   626.46
                              627.26   627.76   632.97   633.96   643.61
                              653.60   659.37   660.95   661.60   664.27
                              671.74   693.15   695.48   712.09   759.39
                              766.71   768.03   768.62   780.59   801.38
                              825.28   826.96   834.03   838.69   839.21
                              839.55   845.48   852.74   870.43   887.39
                              900.26   905.85   906.89   907.66   923.20
                              942.69   959.27   970.85   980.10   987.59
                              995.08  1014.88  1025.65  1046.17  1050.27
                             1063.70  1064.33  1065.14  1071.78  1077.15
                             1083.10  1087.04  1087.40  1088.00  1098.95
                             1099.43  1099.95  1101.12  1109.76  1119.08
                             1133.34  1134.54  1134.74  1135.54  1138.77
                             1152.39  1176.30  1180.28  1197.16  1201.64
                             1223.57  1235.25  1245.45  1246.29  1247.82
                             1248.81  1250.30  1254.82  1258.36  1295.45
                             1298.05  1303.36  1304.58  1342.22  1344.70
                             1345.41  1345.68  1346.62  1348.04  1349.02
                             1351.03  1353.17  1353.74  1374.60  1381.83
                             1386.40  1400.69  1401.58  1402.21  1403.07
                             1404.03  1404.93  1411.90  1424.40  1429.52
                             1462.86  1466.16  1468.03  1468.19  1469.00
                             1489.92  1499.03  1506.91  1508.18  1508.77
                             1517.55  1518.56  1518.95  1530.98  1540.74
                             1611.95  1613.62  1620.20  1623.68  1625.72
                             1645.79  1650.72  1651.31  1651.98  1664.79
                             1687.77  1697.30  1699.00  1700.27  1708.51
                             1708.62  1709.38  1711.50  1718.84  1724.89
                             1726.98  1731.93  1747.48  1776.10  1796.63
                             1802.85  1805.42  1806.97  1809.53  1817.19
                             1820.55  1845.62  1854.93  1872.45  1875.62
                             1890.31  1893.21  1899.59  1902.14  1913.19
                             1919.95  1928.92  1930.93  1935.89  1936.58
                             1936.71  1945.88  1951.51  1972.57  1988.56
                             1990.40  1993.13  1996.10  1998.25  2000.18
                             2011.16  2016.87  2017.72  2019.89  2025.44
                             2059.83  2066.53  2091.86  2109.61  2115.81
                             2137.54  2142.28  2144.06  2154.37  2154.70
                             2155.78  2156.33  2156.52  2174.83  2182.07
                             2185.62  2186.18  2187.32  2194.37  2199.53
                             2201.84  2202.28  2205.86  2209.00  2214.02
                             2228.22  2298.51  2310.81  2327.23  2343.93
                             2344.00  2344.45  2345.55  2347.18  2349.07
                             2363.79  2374.58  2375.60  2375.81  2380.00
                             2388.04  2405.48  2407.42  2409.07  2419.21
                             4395.65  4397.18  4416.71  4428.13  4488.08
                             4497.74  4500.97  4517.51  4538.53  4541.43
                             4575.58  4576.80  4576.99  4577.11  4578.15
                             4578.63  4587.66  4588.71  4589.75  4589.93
                             4591.28  4591.78  4609.07  4610.16  4610.38
                             4610.75  4611.16  4611.59  4621.43  4622.90
                             4624.62  4625.49  4625.82  4626.01  4627.98
                             4630.02  4630.88  4637.03  4645.28  4646.32
                             4652.10  4685.81  4724.60
 
 Zero-point correction=                           0.885343 (Hartree/Particle)
 Thermal correction to Energy=                    0.941349
 Thermal correction to Enthalpy=                  0.942293
 Thermal correction to Gibbs Free Energy=         0.789136
 Sum of electronic and zero-point Energies=          -3612.601233
 Sum of electronic and thermal Energies=             -3612.545227
 Sum of electronic and thermal Enthalpies=           -3612.544283
 Sum of electronic and thermal Free Energies=        -3612.697440
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  590.706            225.027            322.346
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             46.420
 Rotational               0.889              2.981             41.684
 Vibrational            588.928            219.066            234.242
 Vibration     1          0.593              1.987              8.392
 Vibration     2          0.593              1.987              7.660
 Vibration     3          0.593              1.986              7.397
 Vibration     4          0.593              1.986              7.085
 Vibration     5          0.593              1.986              6.836
 Vibration     6          0.593              1.986              6.620
 Vibration     7          0.593              1.985              6.215
 Vibration     8          0.593              1.985              6.144
 Vibration     9          0.594              1.983              5.726
 Vibration    10          0.594              1.981              5.333
 Vibration    11          0.594              1.981              5.199
 Vibration    12          0.595              1.979              4.978
 Vibration    13          0.595              1.978              4.839
 Vibration    14          0.596              1.975              4.543
 Vibration    15          0.597              1.973              4.457
 Vibration    16          0.599              1.966              4.031
 Vibration    17          0.600              1.961              3.816
 Vibration    18          0.601              1.959              3.763
 Vibration    19          0.603              1.954              3.580
 Vibration    20          0.603              1.952              3.529
 Vibration    21          0.605              1.945              3.349
 Vibration    22          0.605              1.945              3.347
 Vibration    23          0.607              1.939              3.218
 Vibration    24          0.608              1.936              3.172
 Vibration    25          0.608              1.935              3.146
 Vibration    26          0.609              1.932              3.091
 Vibration    27          0.613              1.920              2.894
 Vibration    28          0.616              1.910              2.762
 Vibration    29          0.618              1.903              2.673
 Vibration    30          0.619              1.901              2.649
 Vibration    31          0.620              1.898              2.620
 Vibration    32          0.620              1.897              2.609
 Vibration    33          0.621              1.894              2.575
 Vibration    34          0.625              1.881              2.450
 Vibration    35          0.627              1.875              2.393
 Vibration    36          0.632              1.858              2.262
 Vibration    37          0.634              1.851              2.209
 Vibration    38          0.641              1.831              2.078
 Vibration    39          0.644              1.819              2.007
 Vibration    40          0.651              1.799              1.900
 Vibration    41          0.654              1.788              1.845
 Vibration    42          0.660              1.771              1.764
 Vibration    43          0.664              1.760              1.717
 Vibration    44          0.666              1.751              1.683
 Vibration    45          0.671              1.738              1.634
 Vibration    46          0.676              1.721              1.571
 Vibration    47          0.682              1.703              1.510
 Vibration    48          0.683              1.701              1.502
 Vibration    49          0.689              1.684              1.448
 Vibration    50          0.689              1.683              1.445
 Vibration    51          0.689              1.683              1.444
 Vibration    52          0.690              1.680              1.436
 Vibration    53          0.698              1.657              1.369
 Vibration    54          0.701              1.649              1.345
 Vibration    55          0.715              1.608              1.241
 Vibration    56          0.727              1.575              1.165
 Vibration    57          0.732              1.562              1.138
 Vibration    58          0.743              1.532              1.075
 Vibration    59          0.749              1.516              1.045
 Vibration    60          0.759              1.488              0.993
 Vibration    61          0.764              1.475              0.970
 Vibration    62          0.778              1.440              0.912
 Vibration    63          0.790              1.409              0.865
 Vibration    64          0.792              1.402              0.854
 Vibration    65          0.796              1.393              0.841
 Vibration    66          0.796              1.392              0.839
 Vibration    67          0.797              1.391              0.838
 Vibration    68          0.800              1.383              0.827
 Vibration    69          0.801              1.382              0.825
 Vibration    70          0.806              1.367              0.804
 Vibration    71          0.813              1.351              0.783
 Vibration    72          0.816              1.343              0.771
 Vibration    73          0.817              1.340              0.768
 Vibration    74          0.818              1.339              0.767
 Vibration    75          0.819              1.335              0.761
 Vibration    76          0.824              1.324              0.746
 Vibration    77          0.838              1.291              0.705
 Vibration    78          0.840              1.287              0.701
 Vibration    79          0.851              1.261              0.671
 Vibration    80          0.883              1.188              0.592
 Vibration    81          0.888              1.177              0.581
 Vibration    82          0.889              1.175              0.579
 Vibration    83          0.889              1.174              0.578
 Vibration    84          0.898              1.156              0.560
 Vibration    85          0.912              1.124              0.530
 Vibration    86          0.930              1.088              0.497
 Vibration    87          0.931              1.086              0.495
 Vibration    88          0.936              1.075              0.486
 Vibration    89          0.940              1.068              0.480
 Vibration    90          0.940              1.068              0.479
 Vibration    91          0.940              1.067              0.479
 Vibration    92          0.945              1.058              0.471
 Vibration    93          0.950              1.047              0.462
 Vibration    94          0.964              1.021              0.441
 Vibration    95          0.976              0.996              0.422
                       Q            Log10(Q)             Ln(Q)
 Total Bot                          -362.977185       -835.785856
 Total V=0                            44.252094        101.894212
 Vib (Bot)                          -380.494804       -876.121665
 Vib (Bot)    1  0.250983D+02          1.399644          3.222799
 Vib (Bot)    2  0.173655D+02          1.239687          2.854485
 Vib (Bot)    3  0.152066D+02          1.182033          2.721731
 Vib (Bot)    4  0.129982D+02          1.113884          2.564814
 Vib (Bot)    5  0.114686D+02          1.059509          2.439609
 Vib (Bot)    6  0.102819D+02          1.012072          2.330382
 Vib (Bot)    7  0.838277D+01          0.923388          2.126178
 Vib (Bot)    8  0.808960D+01          0.907927          2.090579
 Vib (Bot)    9  0.655157D+01          0.816346          1.879705
 Vib (Bot)   10  0.536879D+01          0.729876          1.680602
 Vib (Bot)   11  0.501748D+01          0.700486          1.612929
 Vib (Bot)   12  0.448670D+01          0.651927          1.501118
 Vib (Bot)   13  0.417914D+01          0.621087          1.430107
 Vib (Bot)   14  0.359656D+01          0.555887          1.279978
 Vib (Bot)   15  0.344139D+01          0.536733          1.235874
 Vib (Bot)   16  0.276763D+01          0.442107          1.017990
 Vib (Bot)   17  0.247714D+01          0.393951          0.907106
 Vib (Bot)   18  0.240962D+01          0.381949          0.879470
 Vib (Bot)   19  0.219098D+01          0.340639          0.784351
 Vib (Bot)   20  0.213409D+01          0.329212          0.758040
 Vib (Bot)   21  0.194189D+01          0.288224          0.663661
 Vib (Bot)   22  0.193971D+01          0.287736          0.662537
 Vib (Bot)   23  0.181253D+01          0.258286          0.594725
 Vib (Bot)   24  0.176877D+01          0.247670          0.570282
 Vib (Bot)   25  0.174515D+01          0.241833          0.556840
 Vib (Bot)   26  0.169477D+01          0.229110          0.527546
 Vib (Bot)   27  0.152524D+01          0.183337          0.422150
 Vib (Bot)   28  0.141945D+01          0.152120          0.350269
 Vib (Bot)   29  0.135208D+01          0.131001          0.301641
 Vib (Bot)   30  0.133463D+01          0.125361          0.288654
 Vib (Bot)   31  0.131387D+01          0.118552          0.272975
 Vib (Bot)   32  0.130552D+01          0.115784          0.266601
 Vib (Bot)   33  0.128110D+01          0.107583          0.247719
 Vib (Bot)   34  0.119542D+01          0.077521          0.178499
 Vib (Bot)   35  0.115744D+01          0.063499          0.146212
 Vib (Bot)   36  0.107421D+01          0.031090          0.071588
 Vib (Bot)   37  0.104201D+01          0.017874          0.041155
 Vib (Bot)   38  0.965337D+00         -0.015321         -0.035278
 Vib (Bot)   39  0.925395D+00         -0.033673         -0.077534
 Vib (Bot)   40  0.867255D+00         -0.061853         -0.142422
 Vib (Bot)   41  0.838592D+00         -0.076449         -0.176031
 Vib (Bot)   42  0.797547D+00         -0.098244         -0.226214
 Vib (Bot)   43  0.774214D+00         -0.111139         -0.255907
 Vib (Bot)   44  0.757267D+00         -0.120751         -0.278039
 Vib (Bot)   45  0.733504D+00         -0.134597         -0.309922
 Vib (Bot)   46  0.703892D+00         -0.152494         -0.351131
 Vib (Bot)   47  0.675579D+00         -0.170324         -0.392185
 Vib (Bot)   48  0.672076D+00         -0.172582         -0.397384
 Vib (Bot)   49  0.647822D+00         -0.188544         -0.434139
 Vib (Bot)   50  0.646538D+00         -0.189406         -0.436123
 Vib (Bot)   51  0.645999D+00         -0.189768         -0.436958
 Vib (Bot)   52  0.642464D+00         -0.192151         -0.442445
 Vib (Bot)   53  0.612971D+00         -0.212560         -0.489438
 Vib (Bot)   54  0.602651D+00         -0.219934         -0.506417
 Vib (Bot)   55  0.558166D+00         -0.253236         -0.583098
 Vib (Bot)   56  0.526474D+00         -0.278623         -0.641553
 Vib (Bot)   57  0.515719D+00         -0.287587         -0.662192
 Vib (Bot)   58  0.490215D+00         -0.309613         -0.712911
 Vib (Bot)   59  0.478290D+00         -0.320309         -0.737538
 Vib (Bot)   60  0.457493D+00         -0.339616         -0.781994
 Vib (Bot)   61  0.448588D+00         -0.348153         -0.801651
 Vib (Bot)   62  0.425985D+00         -0.370605         -0.853351
 Vib (Bot)   63  0.407559D+00         -0.389810         -0.897570
 Vib (Bot)   64  0.403584D+00         -0.394066         -0.907370
 Vib (Bot)   65  0.398471D+00         -0.399603         -0.920120
 Vib (Bot)   66  0.397792D+00         -0.400344         -0.921827
 Vib (Bot)   67  0.397366D+00         -0.400809         -0.922897
 Vib (Bot)   68  0.392963D+00         -0.405648         -0.934039
 Vib (Bot)   69  0.392133D+00         -0.406566         -0.936153
 Vib (Bot)   70  0.384183D+00         -0.415462         -0.956637
 Vib (Bot)   71  0.376183D+00         -0.424601         -0.977680
 Vib (Bot)   72  0.371665D+00         -0.429848         -0.989762
 Vib (Bot)   73  0.370440D+00         -0.431283         -0.993065
 Vib (Bot)   74  0.369939D+00         -0.431870         -0.994418
 Vib (Bot)   75  0.367889D+00         -0.434283         -0.999974
 Vib (Bot)   76  0.362222D+00         -0.441025         -1.015497
 Vib (Bot)   77  0.346631D+00         -0.460132         -1.059494
 Vib (Bot)   78  0.344987D+00         -0.462197         -1.064248
 Vib (Bot)   79  0.333569D+00         -0.476815         -1.097906
 Vib (Bot)   80  0.303630D+00         -0.517656         -1.191947
 Vib (Bot)   81  0.299308D+00         -0.523882         -1.206282
 Vib (Bot)   82  0.298533D+00         -0.525007         -1.208873
 Vib (Bot)   83  0.298190D+00         -0.525508         -1.210026
 Vib (Bot)   84  0.291327D+00         -0.535620         -1.233310
 Vib (Bot)   85  0.279857D+00         -0.553063         -1.273476
 Vib (Bot)   86  0.267360D+00         -0.572904         -1.319160
 Vib (Bot)   87  0.266510D+00         -0.574286         -1.322342
 Vib (Bot)   88  0.262958D+00         -0.580114         -1.335762
 Vib (Bot)   89  0.260647D+00         -0.583947         -1.344588
 Vib (Bot)   90  0.260393D+00         -0.584371         -1.345564
 Vib (Bot)   91  0.260222D+00         -0.584657         -1.346222
 Vib (Bot)   92  0.257326D+00         -0.589516         -1.357411
 Vib (Bot)   93  0.253834D+00         -0.595451         -1.371076
 Vib (Bot)   94  0.245555D+00         -0.609852         -1.404236
 Vib (Bot)   95  0.237915D+00         -0.623578         -1.435842
 Vib (V=0)                            26.734475         61.558403
 Vib (V=0)    1  0.256033D+02          1.408295          3.242719
 Vib (V=0)    2  0.178727D+02          1.252190          2.883274
 Vib (V=0)    3  0.157148D+02          1.196310          2.754605
 Vib (V=0)    4  0.135078D+02          1.130586          2.603271
 Vib (V=0)    5  0.119795D+02          1.078437          2.483193
 Vib (V=0)    6  0.107940D+02          1.033183          2.378992
 Vib (V=0)    7  0.889767D+01          0.949276          2.185789
 Vib (V=0)    8  0.860504D+01          0.934753          2.152348
 Vib (V=0)    9  0.707062D+01          0.849458          1.955949
 Vib (V=0)   10  0.589202D+01          0.770264          1.773599
 Vib (V=0)   11  0.554234D+01          0.743693          1.712416
 Vib (V=0)   12  0.501448D+01          0.700226          1.612329
 Vib (V=0)   13  0.470895D+01          0.672924          1.549465
 Vib (V=0)   14  0.413115D+01          0.616071          1.418555
 Vib (V=0)   15  0.397752D+01          0.599612          1.380658
 Vib (V=0)   16  0.331243D+01          0.520146          1.197681
 Vib (V=0)   17  0.302710D+01          0.481027          1.107606
 Vib (V=0)   18  0.296095D+01          0.471431          1.085511
 Vib (V=0)   19  0.274731D+01          0.438908          1.010623
 Vib (V=0)   20  0.269188D+01          0.430056          0.990240
 Vib (V=0)   21  0.250523D+01          0.398847          0.918379
 Vib (V=0)   22  0.250311D+01          0.398480          0.917535
 Vib (V=0)   23  0.238023D+01          0.376619          0.867198
 Vib (V=0)   24  0.233808D+01          0.368859          0.849329
 Vib (V=0)   25  0.231536D+01          0.364619          0.839567
 Vib (V=0)   26  0.226699D+01          0.355449          0.818451
 Vib (V=0)   27  0.210510D+01          0.323273          0.744363
 Vib (V=0)   28  0.200494D+01          0.302101          0.695613
 Vib (V=0)   29  0.194156D+01          0.288152          0.663494
 Vib (V=0)   30  0.192521D+01          0.284479          0.655038
 Vib (V=0)   31  0.190579D+01          0.280075          0.644897
 Vib (V=0)   32  0.189799D+01          0.278294          0.640797
 Vib (V=0)   33  0.187521D+01          0.273051          0.628723
 Vib (V=0)   34  0.179578D+01          0.254252          0.585437
 Vib (V=0)   35  0.176082D+01          0.245715          0.565780
 Vib (V=0)   36  0.168488D+01          0.226568          0.521692
 Vib (V=0)   37  0.165577D+01          0.218999          0.504263
 Vib (V=0)   38  0.158714D+01          0.200616          0.461934
 Vib (V=0)   39  0.155183D+01          0.190845          0.439438
 Vib (V=0)   40  0.150107D+01          0.176400          0.406175
 Vib (V=0)   41  0.147634D+01          0.169186          0.389565
 Vib (V=0)   42  0.144132D+01          0.158760          0.365559
 Vib (V=0)   43  0.142163D+01          0.152787          0.351806
 Vib (V=0)   44  0.140744D+01          0.148431          0.341775
 Vib (V=0)   45  0.138771D+01          0.142299          0.327655
 Vib (V=0)   46  0.136340D+01          0.134624          0.309983
 Vib (V=0)   47  0.134048D+01          0.127260          0.293028
 Vib (V=0)   48  0.133767D+01          0.126348          0.290927
 Vib (V=0)   49  0.131834D+01          0.120026          0.276370
 Vib (V=0)   50  0.131732D+01          0.119691          0.275599
 Vib (V=0)   51  0.131689D+01          0.119551          0.275275
 Vib (V=0)   52  0.131410D+01          0.118629          0.273153
 Vib (V=0)   53  0.129103D+01          0.110937          0.255443
 Vib (V=0)   54  0.128306D+01          0.108248          0.249250
 Vib (V=0)   55  0.124937D+01          0.096690          0.222636
 Vib (V=0)   56  0.122607D+01          0.088515          0.203812
 Vib (V=0)   57  0.121831D+01          0.085757          0.197463
 Vib (V=0)   58  0.120022D+01          0.079262          0.182507
 Vib (V=0)   59  0.119193D+01          0.076249          0.175570
 Vib (V=0)   60  0.117772D+01          0.071041          0.163577
 Vib (V=0)   61  0.117174D+01          0.068830          0.158488
 Vib (V=0)   62  0.115686D+01          0.063280          0.145708
 Vib (V=0)   63  0.114506D+01          0.058829          0.135458
 Vib (V=0)   64  0.114256D+01          0.057878          0.133269
 Vib (V=0)   65  0.113936D+01          0.056660          0.130465
 Vib (V=0)   66  0.113894D+01          0.056499          0.130094
 Vib (V=0)   67  0.113867D+01          0.056398          0.129861
 Vib (V=0)   68  0.113594D+01          0.055356          0.127461
 Vib (V=0)   69  0.113543D+01          0.055160          0.127010
 Vib (V=0)   70  0.113055D+01          0.053291          0.122706
 Vib (V=0)   71  0.112571D+01          0.051427          0.118414
 Vib (V=0)   72  0.112300D+01          0.050382          0.116008
 Vib (V=0)   73  0.112227D+01          0.050099          0.115357
 Vib (V=0)   74  0.112198D+01          0.049984          0.115092
 Vib (V=0)   75  0.112076D+01          0.049512          0.114007
 Vib (V=0)   76  0.111742D+01          0.048216          0.111021
 Vib (V=0)   77  0.110840D+01          0.044697          0.102919
 Vib (V=0)   78  0.110747D+01          0.044331          0.102075
 Vib (V=0)   79  0.110106D+01          0.041809          0.096270
 Vib (V=0)   80  0.108497D+01          0.035418          0.081553
 Vib (V=0)   81  0.108274D+01          0.034524          0.079494
 Vib (V=0)   82  0.108234D+01          0.034365          0.079127
 Vib (V=0)   83  0.108217D+01          0.034294          0.078964
 Vib (V=0)   84  0.107868D+01          0.032893          0.075739
 Vib (V=0)   85  0.107299D+01          0.030597          0.070451
 Vib (V=0)   86  0.106699D+01          0.028162          0.064845
 Vib (V=0)   87  0.106659D+01          0.027999          0.064470
 Vib (V=0)   88  0.106493D+01          0.027321          0.062910
 Vib (V=0)   89  0.106386D+01          0.026884          0.061903
 Vib (V=0)   90  0.106374D+01          0.026836          0.061792
 Vib (V=0)   91  0.106366D+01          0.026804          0.061718
 Vib (V=0)   92  0.106233D+01          0.026260          0.060466
 Vib (V=0)   93  0.106074D+01          0.025610          0.058969
 Vib (V=0)   94  0.105704D+01          0.024093          0.055476
 Vib (V=0)   95  0.105372D+01          0.022724          0.052325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.114596D+10          9.059171         20.859512
 Rotational      0.287375D+09          8.458448         19.476297
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000732   -0.000001867    0.000000189
      2        6          -0.000000974    0.000000534    0.000000307
      3        6          -0.000000597   -0.000001047   -0.000000304
      4        6           0.000003678   -0.000000503    0.000000624
      5        6          -0.000000096    0.000001350   -0.000000585
      6        6           0.000000613    0.000000990    0.000000221
      7        6          -0.000002101   -0.000000104   -0.000000538
      8        6           0.000003501    0.000002140    0.000000790
      9        6          -0.000004246    0.000002451   -0.000004095
     10        6          -0.000006776   -0.000008135    0.000007887
     11        6           0.000001240    0.000001920   -0.000000226
     12        6          -0.000002422   -0.000000847   -0.000000151
     13        6           0.000001250   -0.000000434    0.000000529
     14        6          -0.000001084   -0.000001086   -0.000000141
     15        7          -0.000002815    0.000003999    0.000006005
     16        6          -0.000000262   -0.000002699    0.000000222
     17        6          -0.000009397    0.000006771   -0.000000167
     18        7           0.000012614   -0.000001446   -0.000002088
     19        6          -0.000000647    0.000000749    0.000001000
     20        6          -0.000000419   -0.000001972   -0.000001323
     21        6          -0.000001264    0.000003146   -0.000002983
     22        6           0.000002136    0.000000992    0.000001764
     23        7          -0.000000911    0.000000673    0.000000015
     24        7           0.000003723   -0.000000486    0.000000667
     25        7          -0.000000445   -0.000007052    0.000004840
     26        6          -0.000000664   -0.000001422   -0.000000779
     27        6           0.000000962    0.000000093    0.000000286
     28        6           0.000000272    0.000000833   -0.000000873
     29        6          -0.000003110    0.000002329    0.000000999
     30        6           0.000001100   -0.000000235    0.000001238
     31        6          -0.000000167    0.000001514   -0.000000687
     32        6           0.000000062   -0.000000179   -0.000000019
     33        6          -0.000000248    0.000000670   -0.000001622
     34        6           0.000000078    0.000005914   -0.000001412
     35        6          -0.000002325    0.000001755   -0.000000265
     36        6           0.000001112   -0.000002769    0.000000536
     37        6           0.000001752   -0.000000876   -0.000000829
     38        6          -0.000000481   -0.000000123    0.000000545
     39        6          -0.000000032    0.000000026   -0.000000764
     40        6          -0.000000028    0.000001177   -0.000000156
     41        6           0.000000435   -0.000000133   -0.000000765
     42        6           0.000001287    0.000000766    0.000000862
     43        6           0.000000366   -0.000000202    0.000000074
     44        6          -0.000000067    0.000000025   -0.000000279
     45        6          -0.000000470   -0.000000251    0.000000085
     46        6          -0.000000476    0.000000222    0.000000516
     47        6          -0.000000173   -0.000000347    0.000000415
     48        6          -0.000000182   -0.000000136   -0.000000581
     49        6           0.000000416   -0.000000738    0.000000894
     50        6           0.000000695   -0.000000459    0.000000073
     51        6           0.000000030   -0.000000175    0.000000395
     52        6           0.000000341    0.000000245   -0.000000024
     53        6          -0.000000452   -0.000001086    0.000000846
     54        6          -0.000000789    0.000001352   -0.000000987
     55        6           0.000000186   -0.000000193   -0.000000253
     56        6          -0.000000269    0.000000111   -0.000000093
     57        6           0.000000067    0.000000157    0.000000049
     58        6          -0.000000096   -0.000000493    0.000000022
     59        6           0.000000183    0.000000061    0.000000235
     60        6          -0.000000097   -0.000000030   -0.000000305
     61        6           0.000000969   -0.000000411    0.000000352
     62        8          -0.000001605    0.000001477   -0.000001385
     63       15           0.000007144   -0.000003764   -0.000001361
     64        8          -0.000007734    0.000000684    0.000000847
     65        8          -0.000002724    0.000004348    0.000002697
     66        6           0.000005762   -0.000000397    0.000002564
     67        6           0.000003083   -0.000001589   -0.000000477
     68        6           0.000007003   -0.000009945    0.000000089
     69        6           0.000001727    0.000002150   -0.000000181
     70        1           0.000000289   -0.000000438    0.000000182
     71        1           0.000000081   -0.000000074    0.000000248
     72        1          -0.000000313   -0.000000548   -0.000000112
     73        1          -0.000000412    0.000000369   -0.000000249
     74        1          -0.000000262    0.000000279    0.000000142
     75        1           0.000000703   -0.000000004    0.000000220
     76        1          -0.000000056   -0.000000461    0.000000049
     77        1           0.000000148    0.000000118    0.000000252
     78        1           0.000000001    0.000000237   -0.000000109
     79        1           0.000000132    0.000000032   -0.000000279
     80        1          -0.000000191    0.000000286    0.000000352
     81        1           0.000000120   -0.000000522    0.000000355
     82        1           0.000000533   -0.000000011   -0.000000015
     83        1          -0.000001292   -0.000000440   -0.000001045
     84        1          -0.000000195    0.000000164   -0.000000104
     85        1          -0.000000039    0.000000056   -0.000000112
     86        1           0.000000045    0.000000096   -0.000000118
     87        1           0.000000607   -0.000000207   -0.000000270
     88        1           0.000000184    0.000000300   -0.000000052
     89        1           0.000000214   -0.000000024    0.000000372
     90        1          -0.000000422    0.000000254    0.000000088
     91        1          -0.000000325    0.000000201   -0.000000332
     92        1           0.000000145   -0.000000004    0.000000023
     93        1          -0.000000069   -0.000000225    0.000000420
     94        1           0.000000173    0.000000337   -0.000000216
     95        1           0.000000185   -0.000000372    0.000000591
     96        1          -0.000000268    0.000000148   -0.000000035
     97        1          -0.000000035    0.000000106    0.000000279
     98        1           0.000000151   -0.000000035   -0.000000102
     99        1          -0.000000117   -0.000000032    0.000000246
    100        1           0.000000004   -0.000000165    0.000000001
    101        1           0.000000114   -0.000000001    0.000000192
    102        1          -0.000000210   -0.000000191    0.000000254
    103        1          -0.000001875    0.000000585   -0.000005847
    104        1          -0.000000982    0.000000061   -0.000002282
    105        1          -0.000000335    0.000001141    0.000000118
    106        1          -0.000000464    0.000001734    0.000000128
    107        1          -0.000001960   -0.000000754   -0.000000075
    108        1          -0.000001828    0.000000039   -0.000001271
    109        1          -0.000002517    0.000001533   -0.000000332
    110        1           0.000000094    0.000000129    0.000000290
    111        1          -0.000001259   -0.000001068   -0.000000629
    112        1          -0.000000773    0.000000135    0.000000807
    113       17           0.000004400   -0.000000757   -0.000005005
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012614 RMS     0.000002018
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000033282 RMS     0.000002587
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00105   0.00250   0.00284   0.00295   0.00336
     Eigenvalues ---    0.00385   0.00391   0.00413   0.00525   0.00604
     Eigenvalues ---    0.00643   0.00785   0.00843   0.00873   0.01073
     Eigenvalues ---    0.01148   0.01149   0.01159   0.01228   0.01312
     Eigenvalues ---    0.01380   0.01382   0.01422   0.01522   0.01561
     Eigenvalues ---    0.01621   0.01627   0.01643   0.01647   0.01658
     Eigenvalues ---    0.01663   0.01670   0.01692   0.01704   0.01725
     Eigenvalues ---    0.01750   0.01763   0.01764   0.01795   0.01809
     Eigenvalues ---    0.01846   0.01869   0.01884   0.01918   0.01922
     Eigenvalues ---    0.01938   0.01939   0.01941   0.01992   0.01996
     Eigenvalues ---    0.02011   0.02025   0.02061   0.02079   0.02082
     Eigenvalues ---    0.02084   0.02124   0.02163   0.02178   0.02236
     Eigenvalues ---    0.02262   0.02301   0.02333   0.02360   0.02371
     Eigenvalues ---    0.02389   0.02393   0.02402   0.02408   0.02419
     Eigenvalues ---    0.02458   0.02476   0.02506   0.02575   0.02593
     Eigenvalues ---    0.02606   0.02631   0.02674   0.02727   0.02767
     Eigenvalues ---    0.02768   0.02773   0.02777   0.02781   0.02782
     Eigenvalues ---    0.02847   0.02850   0.02878   0.02905   0.02906
     Eigenvalues ---    0.02923   0.02940   0.02955   0.02961   0.02963
     Eigenvalues ---    0.03095   0.03102   0.03116   0.03690   0.04352
     Eigenvalues ---    0.04459   0.04507   0.04573   0.04597   0.04745
     Eigenvalues ---    0.05393   0.05798   0.06130   0.07285   0.08942
     Eigenvalues ---    0.09674   0.10933   0.10933   0.10942   0.10978
     Eigenvalues ---    0.11010   0.11011   0.11025   0.11136   0.11146
     Eigenvalues ---    0.11169   0.11201   0.11231   0.11383   0.11407
     Eigenvalues ---    0.11440   0.11475   0.11687   0.11748   0.11804
     Eigenvalues ---    0.12186   0.12228   0.12233   0.12244   0.12323
     Eigenvalues ---    0.12323   0.12341   0.12351   0.12353   0.12357
     Eigenvalues ---    0.12373   0.12377   0.12378   0.12382   0.12392
     Eigenvalues ---    0.12508   0.12669   0.12727   0.12763   0.12914
     Eigenvalues ---    0.13244   0.13347   0.13785   0.15432   0.15779
     Eigenvalues ---    0.16070   0.16086   0.16095   0.16573   0.16851
     Eigenvalues ---    0.16864   0.17410   0.17689   0.17717   0.17735
     Eigenvalues ---    0.18083   0.18165   0.18308   0.18628   0.18711
     Eigenvalues ---    0.18735   0.18747   0.18975   0.19146   0.19165
     Eigenvalues ---    0.19170   0.19244   0.19259   0.19278   0.19335
     Eigenvalues ---    0.19344   0.19346   0.19432   0.19590   0.19824
     Eigenvalues ---    0.19896   0.19919   0.19925   0.20069   0.20178
     Eigenvalues ---    0.20202   0.20548   0.20928   0.21154   0.21334
     Eigenvalues ---    0.21394   0.21750   0.22484   0.22768   0.22970
     Eigenvalues ---    0.22982   0.23004   0.23022   0.23219   0.23638
     Eigenvalues ---    0.24341   0.25047   0.26489   0.26878   0.26959
     Eigenvalues ---    0.27229   0.27475   0.28264   0.28288   0.28327
     Eigenvalues ---    0.28488   0.28771   0.29158   0.29428   0.30011
     Eigenvalues ---    0.30142   0.30478   0.30566   0.31151   0.31578
     Eigenvalues ---    0.33017   0.33545   0.33654   0.33992   0.34033
     Eigenvalues ---    0.34104   0.34284   0.34295   0.34371   0.34609
     Eigenvalues ---    0.34899   0.34911   0.34937   0.34969   0.35005
     Eigenvalues ---    0.35176   0.35391   0.35398   0.35407   0.35564
     Eigenvalues ---    0.35609   0.35645   0.35884   0.35897   0.35905
     Eigenvalues ---    0.35935   0.36098   0.36114   0.36120   0.36124
     Eigenvalues ---    0.36131   0.36135   0.36150   0.36209   0.36219
     Eigenvalues ---    0.36237   0.36354   0.36363   0.36367   0.36397
     Eigenvalues ---    0.36454   0.36475   0.36496   0.36518   0.36550
     Eigenvalues ---    0.36571   0.36578   0.36652   0.36724   0.36892
     Eigenvalues ---    0.37018   0.37209   0.37445   0.37991   0.38046
     Eigenvalues ---    0.38085   0.38253   0.38489   0.38562   0.39609
     Eigenvalues ---    0.40444   0.41054   0.41415   0.41425   0.41433
     Eigenvalues ---    0.42099   0.42140   0.42166   0.42341   0.42531
     Eigenvalues ---    0.43062   0.43365   0.43437   0.43629   0.44159
     Eigenvalues ---    0.44268   0.44395   0.44839   0.44938   0.45232
     Eigenvalues ---    0.45401   0.45628   0.45957   0.46864   0.46979
     Eigenvalues ---    0.47004   0.47009   0.47171   0.47343   0.47345
     Eigenvalues ---    0.47349   0.47366   0.47657   0.50749   0.50781
     Eigenvalues ---    0.50810   0.50847   0.50901   0.51047   0.51178
     Eigenvalues ---    0.51204   0.51316   0.51379   0.64441   0.65798
     Eigenvalues ---    0.69752   1.37259   3.93800
 Angle between quadratic step and forces=  82.21 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00034580 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000005 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.63969  -0.00000   0.00000  -0.00000  -0.00000   2.63968
    R2        2.65435   0.00000   0.00000   0.00000   0.00000   2.65436
    R3        2.67519   0.00000   0.00000  -0.00000  -0.00000   2.67519
    R4        2.64594  -0.00000   0.00000   0.00000   0.00000   2.64594
    R5        2.04662   0.00000   0.00000  -0.00000  -0.00000   2.04662
    R6        2.66487   0.00000   0.00000   0.00000   0.00000   2.66487
    R7        2.78821  -0.00000   0.00000  -0.00001  -0.00001   2.78820
    R8        2.64804   0.00000   0.00000   0.00001   0.00001   2.64804
    R9        2.78041  -0.00000   0.00000  -0.00001  -0.00001   2.78040
   R10        2.62097   0.00000   0.00000  -0.00000  -0.00000   2.62096
   R11        2.04809  -0.00000   0.00000  -0.00000  -0.00000   2.04809
   R12        2.04881  -0.00000   0.00000  -0.00000  -0.00000   2.04881
   R13        2.67759   0.00000   0.00000   0.00000   0.00000   2.67759
   R14        2.64538  -0.00000   0.00000  -0.00001  -0.00001   2.64538
   R15        2.83626  -0.00000   0.00000  -0.00003  -0.00003   2.83623
   R16        2.64664   0.00000   0.00000   0.00001   0.00001   2.64664
   R17        2.84339  -0.00001   0.00000  -0.00003  -0.00003   2.84337
   R18        2.69339  -0.00000   0.00000  -0.00001  -0.00001   2.69337
   R19        2.43385   0.00001   0.00000   0.00002   0.00002   2.43387
   R20        2.63761   0.00000   0.00000   0.00000   0.00000   2.63761
   R21        2.04598   0.00000   0.00000  -0.00000  -0.00000   2.04598
   R22        2.64428   0.00000   0.00000   0.00001   0.00001   2.64428
   R23        2.67487  -0.00000   0.00000  -0.00001  -0.00001   2.67486
   R24        2.62378   0.00000   0.00000  -0.00000  -0.00000   2.62378
   R25        2.04860  -0.00000   0.00000  -0.00000  -0.00000   2.04859
   R26        2.04113   0.00000   0.00000   0.00000   0.00000   2.04113
   R27        2.69799  -0.00000   0.00000  -0.00001  -0.00001   2.69798
   R28        3.33158  -0.00000   0.00000   0.00002   0.00002   3.33160
   R29        2.67198   0.00000   0.00000   0.00001   0.00001   2.67199
   R30        2.65345  -0.00000   0.00000  -0.00000  -0.00000   2.65345
   R31        2.61482  -0.00001   0.00000  -0.00003  -0.00003   2.61479
   R32        2.65227   0.00000   0.00000   0.00000   0.00000   2.65228
   R33        2.62560  -0.00000   0.00000  -0.00000  -0.00000   2.62559
   R34        2.03733   0.00000   0.00000   0.00000   0.00000   2.03733
   R35        2.65082   0.00000   0.00000   0.00001   0.00001   2.65083
   R36        2.04947   0.00000   0.00000  -0.00000  -0.00000   2.04947
   R37        2.62504  -0.00000   0.00000   0.00000   0.00000   2.62504
   R38        2.67984  -0.00000   0.00000  -0.00002  -0.00002   2.67982
   R39        2.04790   0.00000   0.00000  -0.00000  -0.00000   2.04790
   R40        2.65160  -0.00000   0.00000   0.00000   0.00000   2.65160
   R41        2.65179   0.00000   0.00000   0.00000   0.00000   2.65180
   R42        2.65027   0.00000   0.00000   0.00001   0.00001   2.65028
   R43        2.64962   0.00000   0.00000   0.00001   0.00001   2.64963
   R44        2.64721   0.00000   0.00000   0.00002   0.00002   2.64723
   R45        2.64595   0.00000   0.00000   0.00002   0.00002   2.64597
   R46        2.67831  -0.00000   0.00000  -0.00000  -0.00000   2.67831
   R47        2.64059  -0.00000   0.00000   0.00000   0.00000   2.64059
   R48        2.73713   0.00000   0.00000   0.00000   0.00000   2.73714
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   D190       0.02122  -0.00000   0.00000  -0.00001  -0.00001   0.02121
   D191       3.12596   0.00000   0.00000   0.00003   0.00003   3.12599
   D192      -0.01252   0.00000   0.00000   0.00003   0.00003  -0.01248
   D193      -0.00443   0.00000   0.00000   0.00001   0.00001  -0.00442
   D194       3.14028   0.00000   0.00000   0.00001   0.00001   3.14029
   D195      -3.12449  -0.00000   0.00000  -0.00002  -0.00002  -3.12452
   D196       0.01020  -0.00000   0.00000  -0.00002  -0.00002   0.01018
   D197      -0.02304   0.00000   0.00000   0.00001   0.00001  -0.02304
   D198       3.11165   0.00000   0.00000   0.00001   0.00001   3.11166
   D199       0.00223   0.00000   0.00000   0.00003   0.00003   0.00226
   D200      -3.13063   0.00000   0.00000   0.00005   0.00005  -3.13058
   D201       3.11764   0.00000   0.00000  -0.00002  -0.00002   3.11762
   D202      -0.01522   0.00000   0.00000  -0.00000  -0.00000  -0.01522
   D203       3.12372  -0.00000   0.00000  -0.00005  -0.00005   3.12367
   D204      -0.01425  -0.00000   0.00000  -0.00004  -0.00004  -0.01429
   D205       0.01420  -0.00000   0.00000   0.00001   0.00001   0.01422
   D206      -3.12376  -0.00000   0.00000   0.00002   0.00002  -3.12374
   D207      -0.00168   0.00000   0.00000   0.00000   0.00000  -0.00168
   D208       3.12780  -0.00000   0.00000  -0.00005  -0.00005   3.12775
   D209       3.12942  -0.00000   0.00000  -0.00002  -0.00002   3.12940
   D210      -0.02428  -0.00000   0.00000  -0.00007  -0.00007  -0.02436
   D211       0.00515  -0.00000   0.00000  -0.00001  -0.00001   0.00514
   D212      -3.14051  -0.00000   0.00000  -0.00001  -0.00001  -3.14053
   D213      -3.12490  -0.00000   0.00000   0.00001   0.00001  -3.12489
   D214       0.01262  -0.00000   0.00000   0.00002   0.00002   0.01263
   D215       0.00053  -0.00000   0.00000  -0.00003  -0.00003   0.00050
   D216       3.11394  -0.00000   0.00000  -0.00006  -0.00006   3.11388
   D217      -3.13099   0.00000   0.00000   0.00001   0.00001  -3.13098
   D218      -0.01758   0.00000   0.00000  -0.00001  -0.00001  -0.01760
   D219      -3.12290   0.00000   0.00000   0.00006   0.00006  -3.12284
   D220       0.01352   0.00000   0.00000   0.00007   0.00007   0.01359
   D221       0.00538  -0.00000   0.00000   0.00000   0.00000   0.00538
   D222      -3.14139   0.00000   0.00000   0.00001   0.00001  -3.14138
   D223       3.12404  -0.00000   0.00000  -0.00002  -0.00002   3.12402
   D224      -0.00909  -0.00000   0.00000  -0.00000  -0.00000  -0.00909
   D225       0.01698  -0.00000   0.00000   0.00001   0.00001   0.01699
   D226      -3.11615  -0.00000   0.00000   0.00003   0.00003  -3.11612
   D227       0.00971   0.00000   0.00000   0.00001   0.00001   0.00972
   D228      -3.14061   0.00000   0.00000   0.00001   0.00001  -3.14060
   D229      -3.12565   0.00000   0.00000   0.00002   0.00002  -3.12563
   D230       0.00721   0.00000   0.00000   0.00002   0.00002   0.00723
   D231      -0.01091  -0.00000   0.00000  -0.00001  -0.00001  -0.01092
   D232       3.12205  -0.00000   0.00000  -0.00003  -0.00003   3.12202
   D233       3.13939  -0.00000   0.00000  -0.00001  -0.00001   3.13939
   D234      -0.01083  -0.00000   0.00000  -0.00002  -0.00002  -0.01086
   D235      -0.00592  -0.00000   0.00000  -0.00001  -0.00001  -0.00593
   D236       3.12139  -0.00000   0.00000  -0.00002  -0.00002   3.12137
   D237      -3.13892  -0.00000   0.00000   0.00000   0.00000  -3.13891
   D238      -0.01161  -0.00000   0.00000  -0.00001  -0.00001  -0.01161
   D239      -0.00570  -0.00000   0.00000  -0.00000  -0.00000  -0.00571
   D240       3.14126   0.00000   0.00000   0.00000   0.00000   3.14126
   D241       3.12534   0.00000   0.00000  -0.00000  -0.00000   3.12534
   D242      -0.01088   0.00000   0.00000  -0.00000  -0.00000  -0.01088
   D243      -0.00826  -0.00000   0.00000  -0.00001  -0.00001  -0.00827
   D244       3.14046   0.00000   0.00000  -0.00000  -0.00000   3.14046
   D245       3.12793  -0.00000   0.00000  -0.00001  -0.00001   3.12792
   D246      -0.00652  -0.00000   0.00000  -0.00001  -0.00001  -0.00653
   D247       0.00784   0.00000   0.00000   0.00000   0.00000   0.00785
   D248      -3.12768   0.00000   0.00000   0.00001   0.00001  -3.12767
   D249      -3.14090  -0.00000   0.00000   0.00000   0.00000  -3.14090
   D250       0.00676  -0.00000   0.00000   0.00000   0.00000   0.00677
   D251      -0.00958   0.00000   0.00000  -0.00000  -0.00000  -0.00958
   D252       3.13594   0.00000   0.00000   0.00000   0.00000   3.13594
   D253       3.12889   0.00000   0.00000  -0.00000  -0.00000   3.12889
   D254      -0.00878   0.00000   0.00000   0.00000   0.00000  -0.00878
   D255       0.00750  -0.00000   0.00000  -0.00000  -0.00000   0.00750
   D256      -3.13686  -0.00000   0.00000  -0.00002  -0.00002  -3.13688
   D257      -3.13800  -0.00000   0.00000  -0.00001  -0.00001  -3.13801
   D258       0.00081  -0.00000   0.00000  -0.00002  -0.00002   0.00079
   D259       0.00877  -0.00000   0.00000   0.00000   0.00000   0.00877
   D260      -3.12599  -0.00000   0.00000   0.00000   0.00000  -3.12599
   D261      -3.13007   0.00000   0.00000   0.00001   0.00001  -3.13006
   D262       0.01836   0.00000   0.00000   0.00001   0.00001   0.01837
   D263       0.00634  -0.00000   0.00000  -0.00000  -0.00000   0.00634
   D264      -3.14020  -0.00000   0.00000  -0.00000  -0.00000  -3.14020
   D265      -3.12416  -0.00000   0.00000  -0.00000  -0.00000  -3.12416
   D266       0.01248  -0.00000   0.00000   0.00000   0.00000   0.01248
   D267       0.00965  -0.00000   0.00000  -0.00000  -0.00000   0.00964
   D268      -3.13965  -0.00000   0.00000  -0.00001  -0.00001  -3.13966
   D269      -3.12697  -0.00000   0.00000  -0.00000  -0.00000  -3.12697
   D270       0.00692  -0.00000   0.00000  -0.00001  -0.00001   0.00690
   D271      -0.00906   0.00000   0.00000  -0.00000  -0.00000  -0.00906
   D272       3.12590   0.00000   0.00000   0.00001   0.00001   3.12591
   D273       3.14026   0.00000   0.00000   0.00001   0.00001   3.14027
   D274      -0.00796   0.00000   0.00000   0.00002   0.00002  -0.00795
   D275       0.00661   0.00000   0.00000   0.00001   0.00001   0.00662
   D276      -3.14072  -0.00000   0.00000  -0.00000  -0.00000  -3.14072
   D277      -3.12980  -0.00000   0.00000   0.00000   0.00000  -3.12980
   D278       0.00605  -0.00000   0.00000  -0.00001  -0.00001   0.00605
   D279      -0.00708   0.00000   0.00000  -0.00001  -0.00001  -0.00709
   D280       3.13021   0.00000   0.00000  -0.00001  -0.00001   3.13020
   D281       3.14023   0.00000   0.00000   0.00000   0.00000   3.14023
   D282      -0.00566   0.00000   0.00000   0.00000   0.00000  -0.00566
   D283      -0.00469   0.00000   0.00000  -0.00000  -0.00000  -0.00470
   D284       3.12846  -0.00000   0.00000  -0.00002  -0.00002   3.12845
   D285       3.14118  -0.00000   0.00000  -0.00000  -0.00000   3.14118
   D286      -0.00884  -0.00000   0.00000  -0.00002  -0.00002  -0.00886
   D287      -0.00358  -0.00000   0.00000  -0.00001  -0.00001  -0.00359
   D288       3.13951   0.00000   0.00000  -0.00001  -0.00001   3.13950
   D289       3.13440  -0.00000   0.00000  -0.00002  -0.00002   3.13438
   D290      -0.00570  -0.00000   0.00000  -0.00001  -0.00001  -0.00571
   D291      -0.00613   0.00000   0.00000  -0.00000  -0.00000  -0.00613
   D292       3.13873   0.00000   0.00000   0.00001   0.00001   3.13874
   D293       3.13397  -0.00000   0.00000  -0.00001  -0.00001   3.13396
   D294      -0.00435   0.00000   0.00000   0.00000   0.00000  -0.00435
   D295       0.00522   0.00000   0.00000   0.00002   0.00002   0.00523
   D296      -3.13230   0.00000   0.00000   0.00001   0.00001  -3.13228
   D297      -3.13965   0.00000   0.00000   0.00001   0.00001  -3.13965
   D298       0.00602  -0.00000   0.00000   0.00000   0.00000   0.00602
   D299       1.78387  -0.00002   0.00000  -0.00034  -0.00034   1.78354
   D300      -0.47197  -0.00001   0.00000  -0.00028  -0.00028  -0.47226
   D301      -2.71035  -0.00001   0.00000  -0.00031  -0.00031  -2.71065
   D302       3.10276  -0.00000   0.00000  -0.00012  -0.00012   3.10264
   D303      -1.01400  -0.00000   0.00000  -0.00014  -0.00014  -1.01414
   D304       1.21449   0.00000   0.00000  -0.00011  -0.00011   1.21438
   D305      -2.13528  -0.00000   0.00000   0.00023   0.00023  -2.13505
   D306       0.01091  -0.00001   0.00000   0.00019   0.00019   0.01110
   D307       2.04895  -0.00001   0.00000   0.00020   0.00020   2.04915
   D308       1.53910  -0.00000   0.00000  -0.00021  -0.00021   1.53889
   D309      -2.63771  -0.00000   0.00000  -0.00022  -0.00022  -2.63793
   D310      -0.62384   0.00000   0.00000  -0.00020  -0.00020  -0.62405
   D311      -3.05863  -0.00001   0.00000   0.00002   0.00002  -3.05862
   D312      -0.97330  -0.00001   0.00000   0.00004   0.00004  -0.97325
   D313       1.14576  -0.00001   0.00000   0.00005   0.00005   1.14581
   D314       1.11071   0.00001   0.00000   0.00007   0.00007   1.11079
   D315      -3.08714   0.00001   0.00000   0.00010   0.00010  -3.08704
   D316      -0.96809   0.00001   0.00000   0.00011   0.00011  -0.96798
   D317      -1.03037  -0.00000   0.00000   0.00003   0.00003  -1.03034
   D318       1.05497   0.00000   0.00000   0.00006   0.00006   1.05503
   D319      -3.10916   0.00000   0.00000   0.00006   0.00006  -3.10910
   D320      -1.07113   0.00001   0.00000  -0.00019  -0.00019  -1.07132
   D321       1.04705   0.00000   0.00000  -0.00021  -0.00021   1.04684
   D322      -3.06766   0.00001   0.00000  -0.00017  -0.00017  -3.06783
   D323       3.09475   0.00000   0.00000   0.00001   0.00001   3.09475
   D324      -1.09456   0.00000   0.00000   0.00001   0.00001  -1.09455
   D325       1.01486   0.00000   0.00000   0.00001   0.00001   1.01487
   D326       1.06378   0.00000   0.00000   0.00003   0.00003   1.06381
   D327      -3.12553   0.00000   0.00000   0.00003   0.00003  -3.12550
   D328      -1.01611   0.00000   0.00000   0.00003   0.00003  -1.01608
   D329      -1.05191  -0.00000   0.00000  -0.00003  -0.00003  -1.05194
   D330       1.04196  -0.00000   0.00000  -0.00002  -0.00002   1.04194
   D331      -3.13180  -0.00000   0.00000  -0.00002  -0.00002  -3.13183
         Item               Value     Threshold  Converged?
 Maximum Force            0.000033     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.001601     0.001800     YES
 RMS     Displacement     0.000346     0.001200     YES
 Predicted change in Energy=-7.096480D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3969         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4046         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4156         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4002         -DE/DX =    0.0                 !
 ! R5    R(2,70)                 1.083          -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4102         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4755         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4013         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4713         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.387          -DE/DX =    0.0                 !
 ! R11   R(5,71)                 1.0838         -DE/DX =    0.0                 !
 ! R12   R(6,72)                 1.0842         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4169         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.3999         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.5009         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.4005         -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.5047         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.4253         -DE/DX =    0.0                 !
 ! R19   R(10,18)                1.2879         -DE/DX =    0.0                 !
 ! R20   R(11,12)                1.3958         -DE/DX =    0.0                 !
 ! R21   R(11,73)                1.0827         -DE/DX =    0.0                 !
 ! R22   R(12,13)                1.3993         -DE/DX =    0.0                 !
 ! R23   R(12,24)                1.4155         -DE/DX =    0.0                 !
 ! R24   R(13,14)                1.3884         -DE/DX =    0.0                 !
 ! R25   R(13,74)                1.0841         -DE/DX =    0.0                 !
 ! R26   R(14,75)                1.0801         -DE/DX =    0.0                 !
 ! R27   R(15,16)                1.4277         -DE/DX =    0.0                 !
 ! R28   R(15,63)                1.763          -DE/DX =    0.0                 !
 ! R29   R(16,17)                1.414          -DE/DX =    0.0                 !
 ! R30   R(16,19)                1.4041         -DE/DX =    0.0                 !
 ! R31   R(17,18)                1.3837         -DE/DX =    0.0                 !
 ! R32   R(17,22)                1.4035         -DE/DX =    0.0                 !
 ! R33   R(19,20)                1.3894         -DE/DX =    0.0                 !
 ! R34   R(19,76)                1.0781         -DE/DX =    0.0                 !
 ! R35   R(20,21)                1.4028         -DE/DX =    0.0                 !
 ! R36   R(20,77)                1.0845         -DE/DX =    0.0                 !
 ! R37   R(21,22)                1.3891         -DE/DX =    0.0                 !
 ! R38   R(21,25)                1.4181         -DE/DX =    0.0                 !
 ! R39   R(22,78)                1.0837         -DE/DX =    0.0                 !
 ! R40   R(23,30)                1.4032         -DE/DX =    0.0                 !
 ! R41   R(23,33)                1.4033         -DE/DX =    0.0                 !
 ! R42   R(24,26)                1.4025         -DE/DX =    0.0                 !
 ! R43   R(24,29)                1.4021         -DE/DX =    0.0                 !
 ! R44   R(25,34)                1.4008         -DE/DX =    0.0                 !
 ! R45   R(25,37)                1.4002         -DE/DX =    0.0                 !
 ! R46   R(26,27)                1.4173         -DE/DX =    0.0                 !
 ! R47   R(26,42)                1.3973         -DE/DX =    0.0                 !
 ! R48   R(27,28)                1.4484         -DE/DX =    0.0                 !
 ! R49   R(27,45)                1.3996         -DE/DX =    0.0                 !
 ! R50   R(28,29)                1.4179         -DE/DX =    0.0                 !
 ! R51   R(28,38)                1.3995         -DE/DX =    0.0                 !
 ! R52   R(29,41)                1.3978         -DE/DX =    0.0                 !
 ! R53   R(30,31)                1.4174         -DE/DX =    0.0                 !
 ! R54   R(30,50)                1.3976         -DE/DX =    0.0                 !
 ! R55   R(31,32)                1.4482         -DE/DX =    0.0                 !
 ! R56   R(31,53)                1.3994         -DE/DX =    0.0                 !
 ! R57   R(32,33)                1.4175         -DE/DX =    0.0                 !
 ! R58   R(32,46)                1.3994         -DE/DX =    0.0                 !
 ! R59   R(33,49)                1.3977         -DE/DX =    0.0                 !
 ! R60   R(34,35)                1.418          -DE/DX =    0.0                 !
 ! R61   R(34,58)                1.3974         -DE/DX =    0.0                 !
 ! R62   R(35,36)                1.4482         -DE/DX =    0.0                 !
 ! R63   R(35,61)                1.3997         -DE/DX =    0.0                 !
 ! R64   R(36,37)                1.4182         -DE/DX =    0.0                 !
 ! R65   R(36,54)                1.3996         -DE/DX =    0.0                 !
 ! R66   R(37,57)                1.3976         -DE/DX =    0.0                 !
 ! R67   R(38,39)                1.3917         -DE/DX =    0.0                 !
 ! R68   R(38,79)                1.0862         -DE/DX =    0.0                 !
 ! R69   R(39,40)                1.4049         -DE/DX =    0.0                 !
 ! R70   R(39,80)                1.0855         -DE/DX =    0.0                 !
 ! R71   R(40,41)                1.3936         -DE/DX =    0.0                 !
 ! R72   R(40,81)                1.0861         -DE/DX =    0.0                 !
 ! R73   R(41,82)                1.0842         -DE/DX =    0.0                 !
 ! R74   R(42,43)                1.3932         -DE/DX =    0.0                 !
 ! R75   R(42,83)                1.0843         -DE/DX =    0.0                 !
 ! R76   R(43,44)                1.4051         -DE/DX =    0.0                 !
 ! R77   R(43,84)                1.0859         -DE/DX =    0.0                 !
 ! R78   R(44,45)                1.3915         -DE/DX =    0.0                 !
 ! R79   R(44,85)                1.0856         -DE/DX =    0.0                 !
 ! R80   R(45,86)                1.0862         -DE/DX =    0.0                 !
 ! R81   R(46,47)                1.3916         -DE/DX =    0.0                 !
 ! R82   R(46,87)                1.0862         -DE/DX =    0.0                 !
 ! R83   R(47,48)                1.4047         -DE/DX =    0.0                 !
 ! R84   R(47,88)                1.0855         -DE/DX =    0.0                 !
 ! R85   R(48,49)                1.3932         -DE/DX =    0.0                 !
 ! R86   R(48,89)                1.0859         -DE/DX =    0.0                 !
 ! R87   R(49,90)                1.0839         -DE/DX =    0.0                 !
 ! R88   R(50,51)                1.3933         -DE/DX =    0.0                 !
 ! R89   R(50,91)                1.084          -DE/DX =    0.0                 !
 ! R90   R(51,52)                1.4048         -DE/DX =    0.0                 !
 ! R91   R(51,92)                1.0859         -DE/DX =    0.0                 !
 ! R92   R(52,53)                1.3915         -DE/DX =    0.0                 !
 ! R93   R(52,93)                1.0856         -DE/DX =    0.0                 !
 ! R94   R(53,94)                1.0862         -DE/DX =    0.0                 !
 ! R95   R(54,55)                1.3917         -DE/DX =    0.0                 !
 ! R96   R(54,95)                1.0863         -DE/DX =    0.0                 !
 ! R97   R(55,56)                1.4051         -DE/DX =    0.0                 !
 ! R98   R(55,96)                1.0856         -DE/DX =    0.0                 !
 ! R99   R(56,57)                1.3932         -DE/DX =    0.0                 !
 ! R100  R(56,97)                1.086          -DE/DX =    0.0                 !
 ! R101  R(57,98)                1.0844         -DE/DX =    0.0                 !
 ! R102  R(58,59)                1.3931         -DE/DX =    0.0                 !
 ! R103  R(58,99)                1.0843         -DE/DX =    0.0                 !
 ! R104  R(59,60)                1.4052         -DE/DX =    0.0                 !
 ! R105  R(59,100)               1.086          -DE/DX =    0.0                 !
 ! R106  R(60,61)                1.3915         -DE/DX =    0.0                 !
 ! R107  R(60,101)               1.0856         -DE/DX =    0.0                 !
 ! R108  R(61,102)               1.0863         -DE/DX =    0.0                 !
 ! R109  R(62,63)                1.4746         -DE/DX =    0.0                 !
 ! R110  R(63,64)                1.6017         -DE/DX =    0.0                 !
 ! R111  R(63,65)                1.6092         -DE/DX =    0.0                 !
 ! R112  R(64,66)                1.4667         -DE/DX =    0.0                 !
 ! R113  R(65,68)                1.4606         -DE/DX =    0.0                 !
 ! R114  R(66,67)                1.5152         -DE/DX =    0.0                 !
 ! R115  R(66,103)               1.0914         -DE/DX =    0.0                 !
 ! R116  R(66,104)               1.0936         -DE/DX =    0.0                 !
 ! R117  R(67,105)               1.0951         -DE/DX =    0.0                 !
 ! R118  R(67,106)               1.0936         -DE/DX =    0.0                 !
 ! R119  R(67,107)               1.0923         -DE/DX =    0.0                 !
 ! R120  R(68,69)                1.5182         -DE/DX =    0.0                 !
 ! R121  R(68,108)               1.0926         -DE/DX =    0.0                 !
 ! R122  R(68,109)               1.0945         -DE/DX =    0.0                 !
 ! R123  R(69,110)               1.0951         -DE/DX =    0.0                 !
 ! R124  R(69,111)               1.0922         -DE/DX =    0.0                 !
 ! R125  R(69,112)               1.0938         -DE/DX =    0.0                 !
 ! R126  R(103,113)              2.9951         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              119.6899         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             119.9979         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.3109         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              120.9175         -DE/DX =    0.0                 !
 ! A5    A(1,2,70)             118.5905         -DE/DX =    0.0                 !
 ! A6    A(3,2,70)             120.4779         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.9405         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.7247         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              118.1229         -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.7885         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.0407         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             120.149          -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.7786         -DE/DX =    0.0                 !
 ! A14   A(4,5,71)             118.4456         -DE/DX =    0.0                 !
 ! A15   A(6,5,71)             120.7756         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              119.7556         -DE/DX =    0.0                 !
 ! A17   A(1,6,72)             119.6735         -DE/DX =    0.0                 !
 ! A18   A(5,6,72)             120.5706         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              120.1            -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.4144         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             119.142          -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              118.5925         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             118.5887         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             122.568          -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             111.1806         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             117.648          -DE/DX =    0.0                 !
 ! A27   A(10,9,15)            115.4729         -DE/DX =    0.0                 !
 ! A28   A(4,10,9)             116.102          -DE/DX =    0.0                 !
 ! A29   A(4,10,18)            119.3807         -DE/DX =    0.0                 !
 ! A30   A(9,10,18)            124.3738         -DE/DX =    0.0                 !
 ! A31   A(7,11,12)            121.3937         -DE/DX =    0.0                 !
 ! A32   A(7,11,73)            120.0897         -DE/DX =    0.0                 !
 ! A33   A(12,11,73)           118.4837         -DE/DX =    0.0                 !
 ! A34   A(11,12,13)           119.184          -DE/DX =    0.0                 !
 ! A35   A(11,12,24)           120.2674         -DE/DX =    0.0                 !
 ! A36   A(13,12,24)           120.5045         -DE/DX =    0.0                 !
 ! A37   A(12,13,14)           119.8476         -DE/DX =    0.0                 !
 ! A38   A(12,13,74)           119.8311         -DE/DX =    0.0                 !
 ! A39   A(14,13,74)           120.299          -DE/DX =    0.0                 !
 ! A40   A(8,14,13)            121.5579         -DE/DX =    0.0                 !
 ! A41   A(8,14,75)            120.3313         -DE/DX =    0.0                 !
 ! A42   A(13,14,75)           118.0267         -DE/DX =    0.0                 !
 ! A43   A(9,15,16)            119.2819         -DE/DX =    0.0                 !
 ! A44   A(9,15,63)            117.847          -DE/DX =    0.0                 !
 ! A45   A(16,15,63)           119.361          -DE/DX =    0.0                 !
 ! A46   A(15,16,17)           118.9931         -DE/DX =    0.0                 !
 ! A47   A(15,16,19)           123.1608         -DE/DX =    0.0                 !
 ! A48   A(17,16,19)           117.8012         -DE/DX =    0.0                 !
 ! A49   A(16,17,18)           122.6847         -DE/DX =    0.0                 !
 ! A50   A(16,17,22)           120.5817         -DE/DX =    0.0                 !
 ! A51   A(18,17,22)           116.7207         -DE/DX =    0.0                 !
 ! A52   A(10,18,17)           119.0898         -DE/DX =    0.0                 !
 ! A53   A(16,19,20)           121.0161         -DE/DX =    0.0                 !
 ! A54   A(16,19,76)           120.6778         -DE/DX =    0.0                 !
 ! A55   A(20,19,76)           118.3054         -DE/DX =    0.0                 !
 ! A56   A(19,20,21)           121.1338         -DE/DX =    0.0                 !
 ! A57   A(19,20,77)           119.3644         -DE/DX =    0.0                 !
 ! A58   A(21,20,77)           119.5016         -DE/DX =    0.0                 !
 ! A59   A(20,21,22)           118.4522         -DE/DX =    0.0                 !
 ! A60   A(20,21,25)           120.6198         -DE/DX =    0.0                 !
 ! A61   A(22,21,25)           120.928          -DE/DX =    0.0                 !
 ! A62   A(17,22,21)           120.9916         -DE/DX =    0.0                 !
 ! A63   A(17,22,78)           117.5605         -DE/DX =    0.0                 !
 ! A64   A(21,22,78)           121.4462         -DE/DX =    0.0                 !
 ! A65   A(1,23,30)            125.8244         -DE/DX =    0.0                 !
 ! A66   A(1,23,33)            125.8775         -DE/DX =    0.0                 !
 ! A67   A(30,23,33)           108.2979         -DE/DX =    0.0                 !
 ! A68   A(12,24,26)           125.541          -DE/DX =    0.0                 !
 ! A69   A(12,24,29)           126.0827         -DE/DX =    0.0                 !
 ! A70   A(26,24,29)           108.3721         -DE/DX =    0.0                 !
 ! A71   A(21,25,34)           125.8323         -DE/DX =    0.0                 !
 ! A72   A(21,25,37)           125.771          -DE/DX =    0.0                 !
 ! A73   A(34,25,37)           108.3935         -DE/DX =    0.0                 !
 ! A74   A(24,26,27)           108.8893         -DE/DX =    0.0                 !
 ! A75   A(24,26,42)           129.4114         -DE/DX =    0.0                 !
 ! A76   A(27,26,42)           121.6645         -DE/DX =    0.0                 !
 ! A77   A(26,27,28)           106.9314         -DE/DX =    0.0                 !
 ! A78   A(26,27,45)           119.5196         -DE/DX =    0.0                 !
 ! A79   A(28,27,45)           133.5452         -DE/DX =    0.0                 !
 ! A80   A(27,28,29)           106.9395         -DE/DX =    0.0                 !
 ! A81   A(27,28,38)           133.5066         -DE/DX =    0.0                 !
 ! A82   A(29,28,38)           119.5482         -DE/DX =    0.0                 !
 ! A83   A(24,29,28)           108.8675         -DE/DX =    0.0                 !
 ! A84   A(24,29,41)           129.5777         -DE/DX =    0.0                 !
 ! A85   A(28,29,41)           121.5089         -DE/DX =    0.0                 !
 ! A86   A(23,30,31)           108.9008         -DE/DX =    0.0                 !
 ! A87   A(23,30,50)           129.543          -DE/DX =    0.0                 !
 ! A88   A(31,30,50)           121.5138         -DE/DX =    0.0                 !
 ! A89   A(30,31,32)           106.9563         -DE/DX =    0.0                 !
 ! A90   A(30,31,53)           119.5942         -DE/DX =    0.0                 !
 ! A91   A(32,31,53)           133.4429         -DE/DX =    0.0                 !
 ! A92   A(31,32,33)           106.9474         -DE/DX =    0.0                 !
 ! A93   A(31,32,46)           133.4466         -DE/DX =    0.0                 !
 ! A94   A(33,32,46)           119.6036         -DE/DX =    0.0                 !
 ! A95   A(23,33,32)           108.8973         -DE/DX =    0.0                 !
 ! A96   A(23,33,49)           129.6578         -DE/DX =    0.0                 !
 ! A97   A(32,33,49)           121.4128         -DE/DX =    0.0                 !
 ! A98   A(25,34,35)           108.9111         -DE/DX =    0.0                 !
 ! A99   A(25,34,58)           129.4556         -DE/DX =    0.0                 !
 ! A100  A(35,34,58)           121.6128         -DE/DX =    0.0                 !
 ! A101  A(34,35,36)           106.8887         -DE/DX =    0.0                 !
 ! A102  A(34,35,61)           119.5049         -DE/DX =    0.0                 !
 ! A103  A(36,35,61)           133.6039         -DE/DX =    0.0                 !
 ! A104  A(35,36,37)           106.8719         -DE/DX =    0.0                 !
 ! A105  A(35,36,54)           133.6266         -DE/DX =    0.0                 !
 ! A106  A(37,36,54)           119.4982         -DE/DX =    0.0                 !
 ! A107  A(25,37,36)           108.9347         -DE/DX =    0.0                 !
 ! A108  A(25,37,57)           129.4511         -DE/DX =    0.0                 !
 ! A109  A(36,37,57)           121.5905         -DE/DX =    0.0                 !
 ! A110  A(28,38,39)           119.1915         -DE/DX =    0.0                 !
 ! A111  A(28,38,79)           120.3137         -DE/DX =    0.0                 !
 ! A112  A(39,38,79)           120.4939         -DE/DX =    0.0                 !
 ! A113  A(38,39,40)           120.544          -DE/DX =    0.0                 !
 ! A114  A(38,39,80)           119.8535         -DE/DX =    0.0                 !
 ! A115  A(40,39,80)           119.6006         -DE/DX =    0.0                 !
 ! A116  A(39,40,41)           121.4265         -DE/DX =    0.0                 !
 ! A117  A(39,40,81)           119.5068         -DE/DX =    0.0                 !
 ! A118  A(41,40,81)           119.0649         -DE/DX =    0.0                 !
 ! A119  A(29,41,40)           117.7634         -DE/DX =    0.0                 !
 ! A120  A(29,41,82)           121.3982         -DE/DX =    0.0                 !
 ! A121  A(40,41,82)           120.8332         -DE/DX =    0.0                 !
 ! A122  A(26,42,43)           117.621          -DE/DX =    0.0                 !
 ! A123  A(26,42,83)           121.4141         -DE/DX =    0.0                 !
 ! A124  A(43,42,83)           120.962          -DE/DX =    0.0                 !
 ! A125  A(42,43,44)           121.482          -DE/DX =    0.0                 !
 ! A126  A(42,43,84)           119.0385         -DE/DX =    0.0                 !
 ! A127  A(44,43,84)           119.4788         -DE/DX =    0.0                 !
 ! A128  A(43,44,45)           120.581          -DE/DX =    0.0                 !
 ! A129  A(43,44,85)           119.5816         -DE/DX =    0.0                 !
 ! A130  A(45,44,85)           119.8362         -DE/DX =    0.0                 !
 ! A131  A(27,45,44)           119.12           -DE/DX =    0.0                 !
 ! A132  A(27,45,86)           120.3547         -DE/DX =    0.0                 !
 ! A133  A(44,45,86)           120.5244         -DE/DX =    0.0                 !
 ! A134  A(32,46,47)           119.1891         -DE/DX =    0.0                 !
 ! A135  A(32,46,87)           120.3004         -DE/DX =    0.0                 !
 ! A136  A(47,46,87)           120.5102         -DE/DX =    0.0                 !
 ! A137  A(46,47,48)           120.5216         -DE/DX =    0.0                 !
 ! A138  A(46,47,88)           119.8696         -DE/DX =    0.0                 !
 ! A139  A(48,47,88)           119.6085         -DE/DX =    0.0                 !
 ! A140  A(47,48,49)           121.4095         -DE/DX =    0.0                 !
 ! A141  A(47,48,89)           119.637          -DE/DX =    0.0                 !
 ! A142  A(49,48,89)           118.9534         -DE/DX =    0.0                 !
 ! A143  A(33,49,48)           117.8494         -DE/DX =    0.0                 !
 ! A144  A(33,49,90)           121.4851         -DE/DX =    0.0                 !
 ! A145  A(48,49,90)           120.6643         -DE/DX =    0.0                 !
 ! A146  A(30,50,51)           117.7234         -DE/DX =    0.0                 !
 ! A147  A(30,50,91)           121.4393         -DE/DX =    0.0                 !
 ! A148  A(51,50,91)           120.8342         -DE/DX =    0.0                 !
 ! A149  A(50,51,52)           121.4733         -DE/DX =    0.0                 !
 ! A150  A(50,51,92)           119.0306         -DE/DX =    0.0                 !
 ! A151  A(52,51,92)           119.4954         -DE/DX =    0.0                 !
 ! A152  A(51,52,53)           120.5353         -DE/DX =    0.0                 !
 ! A153  A(51,52,93)           119.6008         -DE/DX =    0.0                 !
 ! A154  A(53,52,93)           119.8624         -DE/DX =    0.0                 !
 ! A155  A(31,53,52)           119.1445         -DE/DX =    0.0                 !
 ! A156  A(31,53,94)           120.3286         -DE/DX =    0.0                 !
 ! A157  A(52,53,94)           120.5259         -DE/DX =    0.0                 !
 ! A158  A(36,54,55)           119.1758         -DE/DX =    0.0                 !
 ! A159  A(36,54,95)           120.3333         -DE/DX =    0.0                 !
 ! A160  A(55,54,95)           120.4903         -DE/DX =    0.0                 !
 ! A161  A(54,55,56)           120.5703         -DE/DX =    0.0                 !
 ! A162  A(54,55,96)           119.8472         -DE/DX =    0.0                 !
 ! A163  A(56,55,96)           119.5817         -DE/DX =    0.0                 !
 ! A164  A(55,56,57)           121.439          -DE/DX =    0.0                 !
 ! A165  A(55,56,97)           119.4689         -DE/DX =    0.0                 !
 ! A166  A(57,56,97)           119.0917         -DE/DX =    0.0                 !
 ! A167  A(37,57,56)           117.7178         -DE/DX =    0.0                 !
 ! A168  A(37,57,98)           121.3188         -DE/DX =    0.0                 !
 ! A169  A(56,57,98)           120.9615         -DE/DX =    0.0                 !
 ! A170  A(34,58,59)           117.6899         -DE/DX =    0.0                 !
 ! A171  A(34,58,99)           121.3412         -DE/DX =    0.0                 !
 ! A172  A(59,58,99)           120.9686         -DE/DX =    0.0                 !
 ! A173  A(58,59,60)           121.4588         -DE/DX =    0.0                 !
 ! A174  A(58,59,100)          119.0684         -DE/DX =    0.0                 !
 ! A175  A(60,59,100)          119.4727         -DE/DX =    0.0                 !
 ! A176  A(59,60,61)           120.5719         -DE/DX =    0.0                 !
 ! A177  A(59,60,101)          119.579          -DE/DX =    0.0                 !
 ! A178  A(61,60,101)          119.8488         -DE/DX =    0.0                 !
 ! A179  A(35,61,60)           119.1556         -DE/DX =    0.0                 !
 ! A180  A(35,61,102)          120.341          -DE/DX =    0.0                 !
 ! A181  A(60,61,102)          120.5029         -DE/DX =    0.0                 !
 ! A182  A(15,63,62)           115.3538         -DE/DX =    0.0                 !
 ! A183  A(15,63,64)           105.7414         -DE/DX =    0.0                 !
 ! A184  A(15,63,65)            98.4638         -DE/DX =    0.0                 !
 ! A185  A(62,63,64)           116.0242         -DE/DX =    0.0                 !
 ! A186  A(62,63,65)           116.9116         -DE/DX =    0.0                 !
 ! A187  A(64,63,65)           102.0339         -DE/DX =    0.0                 !
 ! A188  A(63,64,66)           121.8404         -DE/DX =    0.0                 !
 ! A189  A(63,65,68)           119.1891         -DE/DX =    0.0                 !
 ! A190  A(64,66,67)           109.4572         -DE/DX =    0.0                 !
 ! A191  A(64,66,103)          109.025          -DE/DX =    0.0                 !
 ! A192  A(64,66,104)          105.2665         -DE/DX =    0.0                 !
 ! A193  A(67,66,103)          112.1156         -DE/DX =    0.0                 !
 ! A194  A(67,66,104)          111.7579         -DE/DX =    0.0                 !
 ! A195  A(103,66,104)         108.9634         -DE/DX =    0.0                 !
 ! A196  A(66,67,105)          109.2622         -DE/DX =    0.0                 !
 ! A197  A(66,67,106)          111.0408         -DE/DX =    0.0                 !
 ! A198  A(66,67,107)          110.699          -DE/DX =    0.0                 !
 ! A199  A(105,67,106)         108.3709         -DE/DX =    0.0                 !
 ! A200  A(105,67,107)         108.2375         -DE/DX =    0.0                 !
 ! A201  A(106,67,107)         109.1561         -DE/DX =    0.0                 !
 ! A202  A(65,68,69)           111.3614         -DE/DX =    0.0                 !
 ! A203  A(65,68,108)          104.4721         -DE/DX =    0.0                 !
 ! A204  A(65,68,109)          109.1579         -DE/DX =    0.0                 !
 ! A205  A(69,68,108)          111.6642         -DE/DX =    0.0                 !
 ! A206  A(69,68,109)          111.8068         -DE/DX =    0.0                 !
 ! A207  A(108,68,109)         108.0658         -DE/DX =    0.0                 !
 ! A208  A(68,69,110)          109.5428         -DE/DX =    0.0                 !
 ! A209  A(68,69,111)          110.702          -DE/DX =    0.0                 !
 ! A210  A(68,69,112)          110.6393         -DE/DX =    0.0                 !
 ! A211  A(110,69,111)         108.7912         -DE/DX =    0.0                 !
 ! A212  A(110,69,112)         108.175          -DE/DX =    0.0                 !
 ! A213  A(111,69,112)         108.9312         -DE/DX =    0.0                 !
 ! A214  A(66,103,113)         118.2944         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)             -0.0934         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,70)           178.5468         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)           179.4885         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,70)           -1.8713         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)             -2.1329         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,72)           178.0785         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           178.2865         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,72)           -1.5021         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,30)          129.5774         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,33)          -50.2529         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,30)          -50.8433         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,33)          129.3264         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              3.1616         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)           -171.4451         -DE/DX =    0.0                 !
 ! D15   D(70,2,3,4)          -175.453          -DE/DX =    0.0                 !
 ! D16   D(70,2,3,7)             9.9403         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -4.0277         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           174.2784         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            170.8284         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)           -10.8656         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -167.0714         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            19.7167         -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             18.2801         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -154.9318         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              1.8627         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,71)          -178.299          -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -176.4414         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,71)            3.3968         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)           -20.8006         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)          163.3632         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)           157.4992         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)          -18.3369         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              1.243          -DE/DX =    0.0                 !
 ! D34   D(4,5,6,72)          -178.9703         -DE/DX =    0.0                 !
 ! D35   D(71,5,6,1)          -178.5914         -DE/DX =    0.0                 !
 ! D36   D(71,5,6,72)            1.1952         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              7.0414         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -167.3564         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -179.6606         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            5.9416         -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          170.5429         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,73)           -7.3389         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -2.7335         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,73)          179.3847         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)           -36.9326         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -173.2921         -DE/DX =    0.0                 !
 ! D47   D(14,8,9,10)          137.2296         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,15)            0.8701         -DE/DX =    0.0                 !
 ! D49   D(7,8,14,13)           -4.7573         -DE/DX =    0.0                 !
 ! D50   D(7,8,14,75)          171.8427         -DE/DX =    0.0                 !
 ! D51   D(9,8,14,13)         -178.9196         -DE/DX =    0.0                 !
 ! D52   D(9,8,14,75)           -2.3197         -DE/DX =    0.0                 !
 ! D53   D(8,9,10,4)            43.5035         -DE/DX =    0.0                 !
 ! D54   D(8,9,10,18)         -140.8929         -DE/DX =    0.0                 !
 ! D55   D(15,9,10,4)         -179.1182         -DE/DX =    0.0                 !
 ! D56   D(15,9,10,18)          -3.5146         -DE/DX =    0.0                 !
 ! D57   D(8,9,15,16)          138.1081         -DE/DX =    0.0                 !
 ! D58   D(8,9,15,63)          -63.1427         -DE/DX =    0.0                 !
 ! D59   D(10,9,15,16)           3.5715         -DE/DX =    0.0                 !
 ! D60   D(10,9,15,63)         162.3207         -DE/DX =    0.0                 !
 ! D61   D(4,10,18,17)         177.455          -DE/DX =    0.0                 !
 ! D62   D(9,10,18,17)           1.986          -DE/DX =    0.0                 !
 ! D63   D(7,11,12,13)          -1.8422         -DE/DX =    0.0                 !
 ! D64   D(7,11,12,24)        -179.4383         -DE/DX =    0.0                 !
 ! D65   D(73,11,12,13)        176.0727         -DE/DX =    0.0                 !
 ! D66   D(73,11,12,24)         -1.5234         -DE/DX =    0.0                 !
 ! D67   D(11,12,13,14)          3.1291         -DE/DX =    0.0                 !
 ! D68   D(11,12,13,74)       -175.1568         -DE/DX =    0.0                 !
 ! D69   D(24,12,13,14)       -179.2806         -DE/DX =    0.0                 !
 ! D70   D(24,12,13,74)          2.4334         -DE/DX =    0.0                 !
 ! D71   D(11,12,24,26)       -128.0737         -DE/DX =    0.0                 !
 ! D72   D(11,12,24,29)         51.0927         -DE/DX =    0.0                 !
 ! D73   D(13,12,24,26)         54.3622         -DE/DX =    0.0                 !
 ! D74   D(13,12,24,29)       -126.4714         -DE/DX =    0.0                 !
 ! D75   D(12,13,14,8)           0.2008         -DE/DX =    0.0                 !
 ! D76   D(12,13,14,75)       -176.4748         -DE/DX =    0.0                 !
 ! D77   D(74,13,14,8)         178.4786         -DE/DX =    0.0                 !
 ! D78   D(74,13,14,75)          1.803          -DE/DX =    0.0                 !
 ! D79   D(9,15,16,17)          -2.4727         -DE/DX =    0.0                 !
 ! D80   D(9,15,16,19)        -179.9799         -DE/DX =    0.0                 !
 ! D81   D(63,15,16,17)       -160.8981         -DE/DX =    0.0                 !
 ! D82   D(63,15,16,19)         21.5947         -DE/DX =    0.0                 !
 ! D83   D(9,15,63,62)           8.8385         -DE/DX =    0.0                 !
 ! D84   D(9,15,63,64)        -120.8039         -DE/DX =    0.0                 !
 ! D85   D(9,15,63,65)         134.0701         -DE/DX =    0.0                 !
 ! D86   D(16,15,63,62)        167.5704         -DE/DX =    0.0                 !
 ! D87   D(16,15,63,64)         37.9279         -DE/DX =    0.0                 !
 ! D88   D(16,15,63,65)        -67.198          -DE/DX =    0.0                 !
 ! D89   D(15,16,17,18)          0.8374         -DE/DX =    0.0                 !
 ! D90   D(15,16,17,22)       -177.8088         -DE/DX =    0.0                 !
 ! D91   D(19,16,17,18)        178.4784         -DE/DX =    0.0                 !
 ! D92   D(19,16,17,22)         -0.1678         -DE/DX =    0.0                 !
 ! D93   D(15,16,19,20)        178.9375         -DE/DX =    0.0                 !
 ! D94   D(15,16,19,76)         -1.373          -DE/DX =    0.0                 !
 ! D95   D(17,16,19,20)          1.4024         -DE/DX =    0.0                 !
 ! D96   D(17,16,19,76)       -178.908          -DE/DX =    0.0                 !
 ! D97   D(16,17,18,10)         -0.5882         -DE/DX =    0.0                 !
 ! D98   D(22,17,18,10)        178.107          -DE/DX =    0.0                 !
 ! D99   D(16,17,22,21)         -1.0616         -DE/DX =    0.0                 !
 ! D100  D(16,17,22,78)        178.4658         -DE/DX =    0.0                 !
 ! D101  D(18,17,22,21)       -179.7859         -DE/DX =    0.0                 !
 ! D102  D(18,17,22,78)         -0.2586         -DE/DX =    0.0                 !
 ! D103  D(16,19,20,21)         -1.447          -DE/DX =    0.0                 !
 ! D104  D(16,19,20,77)        178.3912         -DE/DX =    0.0                 !
 ! D105  D(76,19,20,21)        178.8562         -DE/DX =    0.0                 !
 ! D106  D(76,19,20,77)         -1.3055         -DE/DX =    0.0                 !
 ! D107  D(19,20,21,22)          0.1994         -DE/DX =    0.0                 !
 ! D108  D(19,20,21,25)       -179.7914         -DE/DX =    0.0                 !
 ! D109  D(77,20,21,22)       -179.6386         -DE/DX =    0.0                 !
 ! D110  D(77,20,21,25)          0.3706         -DE/DX =    0.0                 !
 ! D111  D(20,21,22,17)          1.0417         -DE/DX =    0.0                 !
 ! D112  D(20,21,22,78)       -178.4672         -DE/DX =    0.0                 !
 ! D113  D(25,21,22,17)       -178.9675         -DE/DX =    0.0                 !
 ! D114  D(25,21,22,78)          1.5236         -DE/DX =    0.0                 !
 ! D115  D(20,21,25,34)       -124.5497         -DE/DX =    0.0                 !
 ! D116  D(20,21,25,37)         54.725          -DE/DX =    0.0                 !
 ! D117  D(22,21,25,34)         55.4597         -DE/DX =    0.0                 !
 ! D118  D(22,21,25,37)       -125.2655         -DE/DX =    0.0                 !
 ! D119  D(1,23,30,31)        -179.9735         -DE/DX =    0.0                 !
 ! D120  D(1,23,30,50)          -2.3582         -DE/DX =    0.0                 !
 ! D121  D(33,23,30,31)         -0.1184         -DE/DX =    0.0                 !
 ! D122  D(33,23,30,50)        177.497          -DE/DX =    0.0                 !
 ! D123  D(1,23,33,32)        -179.966          -DE/DX =    0.0                 !
 ! D124  D(1,23,33,49)          -2.0407         -DE/DX =    0.0                 !
 ! D125  D(30,23,33,32)          0.1789         -DE/DX =    0.0                 !
 ! D126  D(30,23,33,49)        178.1042         -DE/DX =    0.0                 !
 ! D127  D(12,24,26,27)        179.1647         -DE/DX =    0.0                 !
 ! D128  D(12,24,26,42)          1.3205         -DE/DX =    0.0                 !
 ! D129  D(29,24,26,27)         -0.1254         -DE/DX =    0.0                 !
 ! D130  D(29,24,26,42)       -177.9697         -DE/DX =    0.0                 !
 ! D131  D(12,24,29,28)       -179.235          -DE/DX =    0.0                 !
 ! D132  D(12,24,29,41)          3.2438         -DE/DX =    0.0                 !
 ! D133  D(26,24,29,28)          0.0502         -DE/DX =    0.0                 !
 ! D134  D(26,24,29,41)       -177.4709         -DE/DX =    0.0                 !
 ! D135  D(21,25,34,35)        179.2692         -DE/DX =    0.0                 !
 ! D136  D(21,25,34,58)          0.9238         -DE/DX =    0.0                 !
 ! D137  D(37,25,34,35)         -0.1107         -DE/DX =    0.0                 !
 ! D138  D(37,25,34,58)       -178.4561         -DE/DX =    0.0                 !
 ! D139  D(21,25,37,36)       -179.3318         -DE/DX =    0.0                 !
 ! D140  D(21,25,37,57)          2.4498         -DE/DX =    0.0                 !
 ! D141  D(34,25,37,36)          0.0486         -DE/DX =    0.0                 !
 ! D142  D(34,25,37,57)       -178.1699         -DE/DX =    0.0                 !
 ! D143  D(24,26,27,28)          0.1495         -DE/DX =    0.0                 !
 ! D144  D(24,26,27,45)       -179.2323         -DE/DX =    0.0                 !
 ! D145  D(42,26,27,28)        178.1927         -DE/DX =    0.0                 !
 ! D146  D(42,26,27,45)         -1.1891         -DE/DX =    0.0                 !
 ! D147  D(24,26,42,43)        178.758          -DE/DX =    0.0                 !
 ! D148  D(24,26,42,83)         -0.6346         -DE/DX =    0.0                 !
 ! D149  D(27,26,42,43)          1.1546         -DE/DX =    0.0                 !
 ! D150  D(27,26,42,83)       -178.2381         -DE/DX =    0.0                 !
 ! D151  D(26,27,28,29)         -0.1168         -DE/DX =    0.0                 !
 ! D152  D(26,27,28,38)        178.9853         -DE/DX =    0.0                 !
 ! D153  D(45,27,28,29)        179.1411         -DE/DX =    0.0                 !
 ! D154  D(45,27,28,38)         -1.7569         -DE/DX =    0.0                 !
 ! D155  D(26,27,45,44)          0.3581         -DE/DX =    0.0                 !
 ! D156  D(26,27,45,86)       -179.9893         -DE/DX =    0.0                 !
 ! D157  D(28,27,45,44)       -178.826          -DE/DX =    0.0                 !
 ! D158  D(28,27,45,86)          0.8266         -DE/DX =    0.0                 !
 ! D159  D(27,28,29,24)          0.042          -DE/DX =    0.0                 !
 ! D160  D(27,28,29,41)        177.8012         -DE/DX =    0.0                 !
 ! D161  D(38,28,29,24)       -179.2093         -DE/DX =    0.0                 !
 ! D162  D(38,28,29,41)         -1.4502         -DE/DX =    0.0                 !
 ! D163  D(27,28,38,39)       -178.5592         -DE/DX =    0.0                 !
 ! D164  D(27,28,38,79)          1.0846         -DE/DX =    0.0                 !
 ! D165  D(29,28,38,39)          0.4534         -DE/DX =    0.0                 !
 ! D166  D(29,28,38,79)       -179.9028         -DE/DX =    0.0                 !
 ! D167  D(24,29,41,40)        178.6201         -DE/DX =    0.0                 !
 ! D168  D(24,29,41,82)         -0.5567         -DE/DX =    0.0                 !
 ! D169  D(28,29,41,40)          1.3716         -DE/DX =    0.0                 !
 ! D170  D(28,29,41,82)       -177.8052         -DE/DX =    0.0                 !
 ! D171  D(23,30,31,32)          0.0139         -DE/DX =    0.0                 !
 ! D172  D(23,30,31,53)        179.2023         -DE/DX =    0.0                 !
 ! D173  D(50,30,31,32)       -177.8292         -DE/DX =    0.0                 !
 ! D174  D(50,30,31,53)          1.3593         -DE/DX =    0.0                 !
 ! D175  D(23,30,50,51)       -178.6677         -DE/DX =    0.0                 !
 ! D176  D(23,30,50,91)          0.6927         -DE/DX =    0.0                 !
 ! D177  D(31,30,50,51)         -1.3143         -DE/DX =    0.0                 !
 ! D178  D(31,30,50,91)        178.0461         -DE/DX =    0.0                 !
 ! D179  D(30,31,32,33)          0.0941         -DE/DX =    0.0                 !
 ! D180  D(30,31,32,46)       -179.3223         -DE/DX =    0.0                 !
 ! D181  D(53,31,32,33)       -178.934          -DE/DX =    0.0                 !
 ! D182  D(53,31,32,46)          1.6496         -DE/DX =    0.0                 !
 ! D183  D(30,31,53,52)         -0.4111         -DE/DX =    0.0                 !
 ! D184  D(30,31,53,94)        179.9681         -DE/DX =    0.0                 !
 ! D185  D(32,31,53,52)        178.5198         -DE/DX =    0.0                 !
 ! D186  D(32,31,53,94)         -1.101          -DE/DX =    0.0                 !
 ! D187  D(31,32,33,23)         -0.1681         -DE/DX =    0.0                 !
 ! D188  D(31,32,33,49)       -178.2967         -DE/DX =    0.0                 !
 ! D189  D(46,32,33,23)        179.3445         -DE/DX =    0.0                 !
 ! D190  D(46,32,33,49)          1.2159         -DE/DX =    0.0                 !
 ! D191  D(31,32,46,47)        179.1041         -DE/DX =    0.0                 !
 ! D192  D(31,32,46,87)         -0.7171         -DE/DX =    0.0                 !
 ! D193  D(33,32,46,47)         -0.2538         -DE/DX =    0.0                 !
 ! D194  D(33,32,46,87)        179.9251         -DE/DX =    0.0                 !
 ! D195  D(23,33,49,48)       -179.0203         -DE/DX =    0.0                 !
 ! D196  D(23,33,49,90)          0.5847         -DE/DX =    0.0                 !
 ! D197  D(32,33,49,48)         -1.3204         -DE/DX =    0.0                 !
 ! D198  D(32,33,49,90)        178.2846         -DE/DX =    0.0                 !
 ! D199  D(25,34,35,36)          0.1278         -DE/DX =    0.0                 !
 ! D200  D(25,34,35,61)       -179.372          -DE/DX =    0.0                 !
 ! D201  D(58,34,35,36)        178.6277         -DE/DX =    0.0                 !
 ! D202  D(58,34,35,61)         -0.8721         -DE/DX =    0.0                 !
 ! D203  D(25,34,58,59)        178.9758         -DE/DX =    0.0                 !
 ! D204  D(25,34,58,99)         -0.8165         -DE/DX =    0.0                 !
 ! D205  D(35,34,58,59)          0.8139         -DE/DX =    0.0                 !
 ! D206  D(35,34,58,99)       -178.9784         -DE/DX =    0.0                 !
 ! D207  D(34,35,36,37)         -0.0963         -DE/DX =    0.0                 !
 ! D208  D(34,35,36,54)        179.2099         -DE/DX =    0.0                 !
 ! D209  D(61,35,36,37)        179.3025         -DE/DX =    0.0                 !
 ! D210  D(61,35,36,54)         -1.3913         -DE/DX =    0.0                 !
 ! D211  D(34,35,61,60)          0.2952         -DE/DX =    0.0                 !
 ! D212  D(34,35,61,102)      -179.9382         -DE/DX =    0.0                 !
 ! D213  D(36,35,61,60)       -179.0438         -DE/DX =    0.0                 !
 ! D214  D(36,35,61,102)         0.7228         -DE/DX =    0.0                 !
 ! D215  D(35,36,37,25)          0.0304         -DE/DX =    0.0                 !
 ! D216  D(35,36,37,57)        178.4155         -DE/DX =    0.0                 !
 ! D217  D(54,36,37,25)       -179.3926         -DE/DX =    0.0                 !
 ! D218  D(54,36,37,57)         -1.0075         -DE/DX =    0.0                 !
 ! D219  D(35,36,54,55)       -178.929          -DE/DX =    0.0                 !
 ! D220  D(35,36,54,95)          0.7746         -DE/DX =    0.0                 !
 ! D221  D(37,36,54,55)          0.3082         -DE/DX =    0.0                 !
 ! D222  D(37,36,54,95)       -179.9882         -DE/DX =    0.0                 !
 ! D223  D(25,37,57,56)        178.9943         -DE/DX =    0.0                 !
 ! D224  D(25,37,57,98)         -0.5205         -DE/DX =    0.0                 !
 ! D225  D(36,37,57,56)          0.9727         -DE/DX =    0.0                 !
 ! D226  D(36,37,57,98)       -178.5422         -DE/DX =    0.0                 !
 ! D227  D(28,38,39,40)          0.5564         -DE/DX =    0.0                 !
 ! D228  D(28,38,39,80)       -179.9439         -DE/DX =    0.0                 !
 ! D229  D(79,38,39,40)       -179.0868         -DE/DX =    0.0                 !
 ! D230  D(79,38,39,80)          0.4129         -DE/DX =    0.0                 !
 ! D231  D(38,39,40,41)         -0.6251         -DE/DX =    0.0                 !
 ! D232  D(38,39,40,81)        178.8803         -DE/DX =    0.0                 !
 ! D233  D(80,39,40,41)        179.874          -DE/DX =    0.0                 !
 ! D234  D(80,39,40,81)         -0.6206         -DE/DX =    0.0                 !
 ! D235  D(39,40,41,29)         -0.3391         -DE/DX =    0.0                 !
 ! D236  D(39,40,41,82)        178.8426         -DE/DX =    0.0                 !
 ! D237  D(81,40,41,29)       -179.8467         -DE/DX =    0.0                 !
 ! D238  D(81,40,41,82)         -0.6649         -DE/DX =    0.0                 !
 ! D239  D(26,42,43,44)         -0.3267         -DE/DX =    0.0                 !
 ! D240  D(26,42,43,84)        179.981          -DE/DX =    0.0                 !
 ! D241  D(83,42,43,44)        179.0688         -DE/DX =    0.0                 !
 ! D242  D(83,42,43,84)         -0.6234         -DE/DX =    0.0                 !
 ! D243  D(42,43,44,45)         -0.4735         -DE/DX =    0.0                 !
 ! D244  D(42,43,44,85)        179.9353         -DE/DX =    0.0                 !
 ! D245  D(84,43,44,45)        179.2174         -DE/DX =    0.0                 !
 ! D246  D(84,43,44,85)         -0.3738         -DE/DX =    0.0                 !
 ! D247  D(43,44,45,27)          0.4493         -DE/DX =    0.0                 !
 ! D248  D(43,44,45,86)       -179.2026         -DE/DX =    0.0                 !
 ! D249  D(85,44,45,27)       -179.9605         -DE/DX =    0.0                 !
 ! D250  D(85,44,45,86)          0.3875         -DE/DX =    0.0                 !
 ! D251  D(32,46,47,48)         -0.5487         -DE/DX =    0.0                 !
 ! D252  D(32,46,47,88)        179.6762         -DE/DX =    0.0                 !
 ! D253  D(87,46,47,48)        179.2721         -DE/DX =    0.0                 !
 ! D254  D(87,46,47,88)         -0.503          -DE/DX =    0.0                 !
 ! D255  D(46,47,48,49)          0.43           -DE/DX =    0.0                 !
 ! D256  D(46,47,48,89)       -179.729          -DE/DX =    0.0                 !
 ! D257  D(88,47,48,49)       -179.7944         -DE/DX =    0.0                 !
 ! D258  D(88,47,48,89)          0.0466         -DE/DX =    0.0                 !
 ! D259  D(47,48,49,33)          0.5022         -DE/DX =    0.0                 !
 ! D260  D(47,48,49,90)       -179.1062         -DE/DX =    0.0                 !
 ! D261  D(89,48,49,33)       -179.3399         -DE/DX =    0.0                 !
 ! D262  D(89,48,49,90)          1.0517         -DE/DX =    0.0                 !
 ! D263  D(30,50,51,52)          0.3635         -DE/DX =    0.0                 !
 ! D264  D(30,50,51,92)       -179.9203         -DE/DX =    0.0                 !
 ! D265  D(91,50,51,52)       -179.001          -DE/DX =    0.0                 !
 ! D266  D(91,50,51,92)          0.7152         -DE/DX =    0.0                 !
 ! D267  D(50,51,52,53)          0.5526         -DE/DX =    0.0                 !
 ! D268  D(50,51,52,93)       -179.8889         -DE/DX =    0.0                 !
 ! D269  D(92,51,52,53)       -179.1623         -DE/DX =    0.0                 !
 ! D270  D(92,51,52,93)          0.3962         -DE/DX =    0.0                 !
 ! D271  D(51,52,53,31)         -0.519          -DE/DX =    0.0                 !
 ! D272  D(51,52,53,94)        179.1011         -DE/DX =    0.0                 !
 ! D273  D(93,52,53,31)        179.9237         -DE/DX =    0.0                 !
 ! D274  D(93,52,53,94)         -0.4562         -DE/DX =    0.0                 !
 ! D275  D(36,54,55,56)          0.3788         -DE/DX =    0.0                 !
 ! D276  D(36,54,55,96)       -179.95           -DE/DX =    0.0                 !
 ! D277  D(95,54,55,56)       -179.3243         -DE/DX =    0.0                 !
 ! D278  D(95,54,55,96)          0.3468         -DE/DX =    0.0                 !
 ! D279  D(54,55,56,57)         -0.4059         -DE/DX =    0.0                 !
 ! D280  D(54,55,56,97)        179.3477         -DE/DX =    0.0                 !
 ! D281  D(96,55,56,57)        179.9221         -DE/DX =    0.0                 !
 ! D282  D(96,55,56,97)         -0.3243         -DE/DX =    0.0                 !
 ! D283  D(55,56,57,37)         -0.269          -DE/DX =    0.0                 !
 ! D284  D(55,56,57,98)        179.2477         -DE/DX =    0.0                 !
 ! D285  D(97,56,57,37)        179.9765         -DE/DX =    0.0                 !
 ! D286  D(97,56,57,98)         -0.5068         -DE/DX =    0.0                 !
 ! D287  D(34,58,59,60)         -0.2049         -DE/DX =    0.0                 !
 ! D288  D(34,58,59,100)       179.8804         -DE/DX =    0.0                 !
 ! D289  D(99,58,59,60)        179.5881         -DE/DX =    0.0                 !
 ! D290  D(99,58,59,100)        -0.3265         -DE/DX =    0.0                 !
 ! D291  D(58,59,60,61)         -0.3509         -DE/DX =    0.0                 !
 ! D292  D(58,59,60,101)       179.8362         -DE/DX =    0.0                 !
 ! D293  D(100,59,60,61)       179.5634         -DE/DX =    0.0                 !
 ! D294  D(100,59,60,101)       -0.2495         -DE/DX =    0.0                 !
 ! D295  D(59,60,61,35)          0.2989         -DE/DX =    0.0                 !
 ! D296  D(59,60,61,102)      -179.4673         -DE/DX =    0.0                 !
 ! D297  D(101,60,61,35)      -179.8888         -DE/DX =    0.0                 !
 ! D298  D(101,60,61,102)        0.345          -DE/DX =    0.0                 !
 ! D299  D(15,63,64,66)        102.2085         -DE/DX =    0.0                 !
 ! D300  D(62,63,64,66)        -27.0421         -DE/DX =    0.0                 !
 ! D301  D(65,63,64,66)       -155.2914         -DE/DX =    0.0                 !
 ! D302  D(15,63,65,68)        177.7752         -DE/DX =    0.0                 !
 ! D303  D(62,63,65,68)        -58.0978         -DE/DX =    0.0                 !
 ! D304  D(64,63,65,68)         69.5853         -DE/DX =    0.0                 !
 ! D305  D(63,64,66,67)       -122.3426         -DE/DX =    0.0                 !
 ! D306  D(63,64,66,103)         0.625          -DE/DX =    0.0                 !
 ! D307  D(63,64,66,104)       117.3962         -DE/DX =    0.0                 !
 ! D308  D(63,65,68,69)         88.1841         -DE/DX =    0.0                 !
 ! D309  D(63,65,68,108)      -151.1297         -DE/DX =    0.0                 !
 ! D310  D(63,65,68,109)       -35.7436         -DE/DX =    0.0                 !
 ! D311  D(64,66,67,105)      -175.2467         -DE/DX =    0.0                 !
 ! D312  D(64,66,67,106)       -55.7657         -DE/DX =    0.0                 !
 ! D313  D(64,66,67,107)        65.6469         -DE/DX =    0.0                 !
 ! D314  D(103,66,67,105)       63.6391         -DE/DX =    0.0                 !
 ! D315  D(103,66,67,106)     -176.8799         -DE/DX =    0.0                 !
 ! D316  D(103,66,67,107)      -55.4672         -DE/DX =    0.0                 !
 ! D317  D(104,66,67,105)      -59.0357         -DE/DX =    0.0                 !
 ! D318  D(104,66,67,106)       60.4453         -DE/DX =    0.0                 !
 ! D319  D(104,66,67,107)     -178.142          -DE/DX =    0.0                 !
 ! D320  D(64,66,103,113)      -61.3713         -DE/DX =    0.0                 !
 ! D321  D(67,66,103,113)       59.9916         -DE/DX =    0.0                 !
 ! D322  D(104,66,103,113)    -175.7642         -DE/DX =    0.0                 !
 ! D323  D(65,68,69,110)       177.316          -DE/DX =    0.0                 !
 ! D324  D(65,68,69,111)       -62.7139         -DE/DX =    0.0                 !
 ! D325  D(65,68,69,112)        58.147          -DE/DX =    0.0                 !
 ! D326  D(108,68,69,110)       60.9501         -DE/DX =    0.0                 !
 ! D327  D(108,68,69,111)     -179.0798         -DE/DX =    0.0                 !
 ! D328  D(108,68,69,112)      -58.2189         -DE/DX =    0.0                 !
 ! D329  D(109,68,69,110)      -60.2702         -DE/DX =    0.0                 !
 ! D330  D(109,68,69,111)       59.6999         -DE/DX =    0.0                 !
 ! D331  D(109,68,69,112)     -179.4392         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171228D+01      0.435218D+01      0.145173D+02
   x          0.111099D+01      0.282385D+01      0.941934D+01
   y         -0.130033D+01     -0.330511D+01     -0.110246D+02
   z         -0.822128D-01     -0.208964D+00     -0.697029D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.816505D+03      0.120994D+03      0.134623D+03
   aniso      0.437583D+03      0.648432D+02      0.721478D+02
   xx         0.104035D+04      0.154164D+03      0.171531D+03
   yx         0.489894D+02      0.725948D+01      0.807726D+01
   yy         0.838388D+03      0.124236D+03      0.138232D+03
   zx        -0.112028D+02     -0.166009D+01     -0.184709D+01
   zy         0.762650D+02      0.113013D+02      0.125744D+02
   zz         0.570775D+03      0.845801D+02      0.941081D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.37224442         -2.07097977         -8.56736205
     6         -2.75407379         -3.06261345         -6.54865761
     6         -1.96675949         -2.69186856         -4.04992161
     6          0.18349050         -1.18792121         -3.58508028
     6          1.58214123         -0.22811301         -5.61846513
     6          0.83665475         -0.67852765         -8.09047675
     6         -3.15909313         -3.98463041         -1.88631246
     6         -2.65107037         -3.16745216          0.61240946
     6         -1.13627616         -0.79859646          0.98425874
     6          0.91294387         -0.57158143         -0.97381405
     6         -4.58148094         -6.18382174         -2.25835499
     6         -5.41582197         -7.64103111         -0.22429167
     6         -4.75317102         -6.92404150          2.23314834
     6         -3.38738004         -4.71856528          2.62650821
     7         -0.41183386         -0.16009276          3.49858634
     6          2.08039062          0.76501941          3.95916616
     6          3.79851047          0.92906459          1.91940144
     7          3.15661422          0.25793788         -0.52495189
     6          2.95573499          1.43858839          6.37181988
     6          5.41300965          2.29131382          6.73016487
     6          7.11638961          2.45362917          4.70556751
     6          6.28998114          1.74740218          2.31618898
     7         -2.19080892         -2.48554374        -11.08027445
     7         -6.83243700         -9.86906487         -0.65325357
     7          9.62237365          3.31905645          5.09621030
     6         -9.16111992        -10.45401168          0.46880285
     6         -9.99929880        -12.82304549         -0.45773319
     6         -8.09418600        -13.71294735         -2.21002532
     6         -6.17175068        -11.84817469         -2.28637786
     6         -2.49772271         -0.62071186        -12.94015791
     6         -3.34382198         -1.78116650        -15.20104603
     6         -3.55940838         -4.46108141        -14.69036543
     6         -2.84024438         -4.82962053        -12.13647006
     6         10.78177503          5.33294117          3.82823312
     6         13.27368177          5.63130467          4.76745925
     6         13.63690332          3.71024215          6.68231042
     6         11.34965642          2.32194597          6.83498301
     6         -7.84459152        -15.90392910         -3.66985554
     6         -5.69867094        -16.21633628         -5.15774351
     6         -3.79240467        -14.36866351         -5.18112726
     6         -3.99458787        -12.16891342         -3.74736257
     6        -10.60933144         -9.03667056          2.16188307
     6        -12.90419145        -10.05475139          2.95495004
     6        -13.74993671        -12.41511145          2.08102437
     6        -12.31250921        -13.80182819          0.37052772
     6         -4.26904552         -6.54133867        -16.16097351
     6         -4.24464005         -8.94076619        -15.08495869
     6         -3.49666916         -9.27861454        -12.56059891
     6         -2.77694777         -7.23989780        -11.05823601
     6         -2.17395448          1.99473994        -12.76833586
     6         -2.66137891          3.43315842        -14.91901284
     6         -3.46552005          2.30889014        -17.18549660
     6         -3.81936702         -0.29248319        -17.33441188
     6         15.67129470          3.04330761          8.23528761
     6         15.40914458          1.01806963          9.89239503
     6         13.13832668         -0.35403155          9.99950743
     6         11.08385787          0.26965112          8.47580925
     6          9.79926479          6.93812421          1.97593277
     6         11.36682846          8.83833114          1.04716780
     6         13.84897306          9.14664819          1.93906513
     6         14.80888846          7.55562400          3.79972089
     8         -5.41727017         -0.05503164          4.82139700
    15         -2.82906405          0.49387119          5.69603012
     8         -2.32310618          3.31923619          6.65673963
     8         -1.78124871         -1.16331288          8.02038905
     6         -3.80060110          5.46887327          5.71973662
     6         -2.03841262          7.40257081          4.55599062
     6         -3.15889355         -1.14985330         10.41203303
     6         -5.19349750         -3.17215087         10.45746704
     1         -4.47609695         -4.09227657         -6.95251476
     1          3.25731745          0.87870577         -5.21421021
     1          1.94085769          0.04058502         -9.65931282
     1         -5.00282792         -6.82427380         -4.15527701
     1         -5.26305954         -8.12019532          3.81617570
     1         -2.81111243         -4.27457233          4.53359760
     1          1.72985844          1.31480345          7.99435867
     1          6.02090682          2.84506259          8.60743859
     1          7.54191236          1.79234161          0.69614399
     1         -9.30447085        -17.34629624         -3.63149373
     1         -5.48497355        -17.90721561         -6.29942543
     1         -2.11523156        -14.66104270         -6.32743668
     1         -2.49650732        -10.77114155         -3.75173306
     1         -9.98527581         -7.20096382          2.82461531
     1        -14.06442428         -8.99027263          4.27101278
     1        -15.54702385        -13.15404061          2.73896706
     1        -12.97942761        -15.61513657         -0.32261071
     1         -4.82619157         -6.28320328        -18.11963050
     1         -4.80069124        -10.56783886        -16.20370793
     1         -3.47982582        -11.16411768        -11.75089082
     1         -2.17774864         -7.52987823         -9.12111485
     1         -1.58348636          2.88576657        -11.02084932
     1         -2.42029713          5.46917809        -14.83104791
     1         -3.82559520          3.48438901        -18.82773201
     1         -4.46750857         -1.15833770        -19.07898609
     1         17.43490966          4.08935966          8.13976485
     1         16.97340593          0.48394946         11.10743143
     1         12.97756009         -1.94104027         11.29085839
     1          9.34602180         -0.81348385          8.55403120
     1          7.88211509          6.72164810          1.28589411
     1         10.64754581         10.10765320         -0.39613825
     1         15.02230948         10.64397289          1.17107747
     1         16.72243421          7.80611592          4.49924600
     1         -5.20211341          4.78426571          4.37040250
     1         -4.77694885          6.22228381          7.37808982
     1         -3.12732892          9.07347724          4.00377781
     1         -0.58541536          7.98823634          5.90375099
     1         -1.12824854          6.63790727          2.86843095
     1         -1.71105221         -1.49300154         11.84342407
     1         -3.94353878          0.73684015         10.73279318
     1         -6.12827803         -3.17231709         12.30379882
     1         -6.60756362         -2.81746745          8.99634362
     1         -4.36853797         -5.04260300         10.15232263
    17         -3.37106763          2.21219413         -0.32711248

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.171228D+01      0.435218D+01      0.145173D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.171228D+01      0.435218D+01      0.145173D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.816505D+03      0.120994D+03      0.134623D+03
   aniso      0.437583D+03      0.648432D+02      0.721478D+02
   xx         0.773733D+03      0.114655D+03      0.127571D+03
   yx         0.223551D+03      0.331269D+02      0.368586D+02
   yy         0.795004D+03      0.117807D+03      0.131079D+03
   zx         0.101155D+03      0.149896D+02      0.166782D+02
   zy         0.201891D+02      0.299171D+01      0.332873D+01
   zz         0.880777D+03      0.130518D+03      0.145220D+03

 ----------------------------------------------------------------------
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 SATCHEL PAIGE'S GUIDE TO LONGEVITY

    1.  AVOID FRIED MEATS, WHICH ANGRY UP THE BLOOD.

    2.  IF YOUR STOMACH DISPUTES YOU, LIE DOWN AND PACIFY IT WITH COOL
        THOUGHTS.

    3.  KEEP THE JUICES FLOWING BY JANGLING AROUND GENTLY AS YOU MOVE.

    4.  GO VERY LIGHT ON THE VICES, SUCH AS CARRYING ON IN SOCIETY.
        THE SOCIAL RUMBLE AIN'T RESTFUL.

    5.  AVOID RUNNING AT ALL TIMES.

    6.  DON'T LOOK BACK.  SOMETHING MAY BE GAINING ON YOU.
 Job cpu time:       1 days 10 hours 25 minutes 40.6 seconds.
 Elapsed time:       0 days  0 hours 32 minutes 24.5 seconds.
 File lengths (MBytes):  RWF=  18151 Int=      0 D2E=      0 Chk=    135 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 11:53:40 2022.
